INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16810, '', '15-oxo-ent-kaur-9(11),16-dien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH:11]=[C:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](CC=C1[C@]2(C)CCC[C@@]3(C)C(=O)O)C(=C)C4=O', '[H][C@:47]23[CH2:18][CH2:26][C@@:50]14[CH2:40][C@H:36]([CH2:36][CH:121]=[C:150]1[C@:40]2([CH3:23])[CH2:41][CH2:20][CH2:38][C@@:44]3([CH3:28])[C:183](=O)O)[C:151](=[CH2:116])[C:203]4=O', '24 27 H 15.96 -13.01 C:17 22.09 -9.19 C:18 15.69 -13.76 C:20 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C:11 17.17 -8.53 C:2 13.53 -10.63 C:12 18.38 -7.83 C:3 13.53 -12.01 C:1 14.73 -9.92 C:6 17.17 -12.73 C:7 18.38 -12.01 C:14 19.58 -9.92 C:16 20.72 -9.52 C:19 13.73 -13.67 C:15 19.93 -10.92 C:9 17.17 -9.92 C:13 19.58 -8.53 C:5 15.96 -12.01 C:4 14.73 -12.73 C:10 15.96 -10.63 C:8 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', '24 27 H 15.96 -13.01 C 22.09 -9.19 C 15.69 -13.76 C 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C 17.17 -8.53 C 13.53 -10.63 C 18.38 -7.83 C 13.53 -12.01 C 14.73 -9.92 C 17.17 -12.73 C 18.38 -12.01 C 19.58 -9.92 C 20.72 -9.52 C 13.73 -13.67 C 19.93 -10.92 C 17.17 -9.92 C 19.58 -8.53 C 15.96 -12.01 C 14.73 -12.73 C 15.96 -10.63 C 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', '24 27 H 15.96 -13.01 C:116 22.09 -9.19 C:28 15.69 -13.76 C:23 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C:121 17.17 -8.53 C:20 13.53 -10.63 C:36 18.38 -7.83 C:38 13.53 -12.01 C:41 14.73 -9.92 C:18 17.17 -12.73 C:26 18.38 -12.01 C:40 19.58 -9.92 C:151 20.72 -9.52 C:183 13.73 -13.67 C:203 19.93 -10.92 C:150 17.17 -9.92 C:36 19.58 -8.53 C:47 15.96 -12.01 C:44 14.73 -12.73 C:40 15.96 -10.63 C:50 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', 'C20H26O3', 314.22, 'C', 'np08_1953_1', 4210, '', '', '1', 47, NULL, NULL),
(16811, '', '15-oxo-ent-kaur-9(11),16-dien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH:11]=[C:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](CC=C1[C@]2(C)CCC[C@@]3(C)C(=O)O)C(=C)C4=O', '[H][C@:47]23[CH2:19][CH2:26][C@@:49]14[CH2:41][C@H:36]([CH2:36][CH:120]=[C:150]1[C@:40]2([CH3:23])[CH2:41][CH2:20][CH2:38][C@@:44]3([CH3:28])[C:184](=O)O)[C:152](=[CH2:115])[C:202]4=O', '24 27 H 15.96 -13.01 C:17 22.09 -9.19 C:18 15.69 -13.76 C:20 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C:11 17.17 -8.53 C:2 13.53 -10.63 C:12 18.38 -7.83 C:3 13.53 -12.01 C:1 14.73 -9.92 C:6 17.17 -12.73 C:7 18.38 -12.01 C:14 19.58 -9.92 C:16 20.72 -9.52 C:19 13.73 -13.67 C:15 19.93 -10.92 C:9 17.17 -9.92 C:13 19.58 -8.53 C:5 15.96 -12.01 C:4 14.73 -12.73 C:10 15.96 -10.63 C:8 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', '24 27 H 15.96 -13.01 C 22.09 -9.19 C 15.69 -13.76 C 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C 17.17 -8.53 C 13.53 -10.63 C 18.38 -7.83 C 13.53 -12.01 C 14.73 -9.92 C 17.17 -12.73 C 18.38 -12.01 C 19.58 -9.92 C 20.72 -9.52 C 13.73 -13.67 C 19.93 -10.92 C 17.17 -9.92 C 19.58 -8.53 C 15.96 -12.01 C 14.73 -12.73 C 15.96 -10.63 C 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', '24 27 H 15.96 -13.01 C:115 22.09 -9.19 C:28 15.69 -13.76 C:23 15.96 -9.24 O 12.40 -13.28 O 20.51 -12.19 O 14.05 -15.02 C:120 17.17 -8.53 C:20 13.53 -10.63 C:36 18.38 -7.83 C:38 13.53 -12.01 C:41 14.73 -9.92 C:19 17.17 -12.73 C:26 18.38 -12.01 C:41 19.58 -9.92 C:152 20.72 -9.52 C:184 13.73 -13.67 C:202 19.93 -10.92 C:150 17.17 -9.92 C:36 19.58 -8.53 C:47 15.96 -12.01 C:44 14.73 -12.73 C:40 15.96 -10.63 C:49 18.38 -10.63 21 1 -1 2 16 2 22 3 -1 23 4 -2 5 17 2 6 18 2 7 17 1 8 10 1 8 19 2 9 11 1 9 12 1 10 20 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 20 15 -2 24 15 -2 16 18 1 16 20 1 22 17 -2 18 24 1 19 23 1 19 24 1 21 22 1 21 23 1', 'C20H26O3', 314.22, 'B', 'np08_1953_1', 4210, '', '', '1', 47, NULL, NULL),
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(16826, '', '7a,18,19-Trihydroxy-ent-kaur-16-ene', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=[CH2:17])[C@H:7](O)[CH2:6][C@@:5]4([H])[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH2:18]O)[CH2:19]O', '[H][C@@]13CC[C@H]2C[C@]1(CC2=C)[C@H](O)C[C@@]4([H])[C@@]3(C)CCC[C@@]4(CO)CO', '[H][C@@:56]13[CH2:18][CH2:34][C@H:44]2[CH2:31][C@:50]1([CH2:43][C:155]2=[CH2:104])[C@H:75](O)[CH2:30][C@@:50]4([H])[C@@:40]3([CH3:18])[CH2:39][CH2:18][CH2:31][C@@:42]4([CH2:73]O)[CH2:65]O', '25 28 H 16.57 -10.86 H 15.35 -13.00 C:17 21.56 -9.19 C:20 15.35 -9.19 O 14.66 -15.10 O 13.42 -15.03 O 19.02 -12.72 C:2 12.89 -10.59 C:18 15.07 -13.76 C:19 13.09 -13.67 C:12 17.79 -7.76 C:1 14.10 -9.88 C:3 12.89 -11.99 C:11 16.57 -8.47 C:15 19.36 -10.86 C:6 16.57 -12.72 C:14 19.02 -9.88 C:16 20.17 -9.47 C:7 17.79 -11.99 C:13 19.02 -8.47 C:9 16.57 -9.88 C:5 15.35 -11.99 C:10 15.35 -10.59 C:4 14.10 -12.72 C:8 17.79 -10.59 21 1 -1 22 2 -1 3 18 2 23 4 -2 5 9 1 6 10 1 19 7 -2 8 12 1 8 13 1 24 9 -1 24 10 -2 11 14 1 11 20 1 12 23 1 13 24 1 14 21 1 15 18 1 15 25 1 16 19 1 16 22 1 20 17 -2 25 17 -2 18 20 1 19 25 1 21 23 1 21 25 1 22 23 1 22 24 1', '25 28 H 16.57 -10.86 H 15.35 -13.00 C 21.56 -9.19 C 15.35 -9.19 O 14.66 -15.10 O 13.42 -15.03 O 19.02 -12.72 C 12.89 -10.59 C 15.07 -13.76 C 13.09 -13.67 C 17.79 -7.76 C 14.10 -9.88 C 12.89 -11.99 C 16.57 -8.47 C 19.36 -10.86 C 16.57 -12.72 C 19.02 -9.88 C 20.17 -9.47 C 17.79 -11.99 C 19.02 -8.47 C 16.57 -9.88 C 15.35 -11.99 C 15.35 -10.59 C 14.10 -12.72 C 17.79 -10.59 21 1 -1 22 2 -1 3 18 2 23 4 -2 5 9 1 6 10 1 19 7 -2 8 12 1 8 13 1 24 9 -1 24 10 -2 11 14 1 11 20 1 12 23 1 13 24 1 14 21 1 15 18 1 15 25 1 16 19 1 16 22 1 20 17 -2 25 17 -2 18 20 1 19 25 1 21 23 1 21 25 1 22 23 1 22 24 1', '25 28 H 16.57 -10.86 H 15.35 -13.00 C:104 21.56 -9.19 C:18 15.35 -9.19 O 14.66 -15.10 O 13.42 -15.03 O 19.02 -12.72 C:18 12.89 -10.59 C:73 15.07 -13.76 C:65 13.09 -13.67 C:34 17.79 -7.76 C:39 14.10 -9.88 C:31 12.89 -11.99 C:18 16.57 -8.47 C:43 19.36 -10.86 C:30 16.57 -12.72 C:31 19.02 -9.88 C:155 20.17 -9.47 C:75 17.79 -11.99 C:44 19.02 -8.47 C:56 16.57 -9.88 C:50 15.35 -11.99 C:40 15.35 -10.59 C:42 14.10 -12.72 C:50 17.79 -10.59 21 1 -1 22 2 -1 3 18 2 23 4 -2 5 9 1 6 10 1 19 7 -2 8 12 1 8 13 1 24 9 -1 24 10 -2 11 14 1 11 20 1 12 23 1 13 24 1 14 21 1 15 18 1 15 25 1 16 19 1 16 22 1 20 17 -2 25 17 -2 18 20 1 19 25 1 21 23 1 21 25 1 22 23 1 22 24 1', 'C20H32O3', 320.228, 'C', 'ph07_1557_22', 4286, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16828, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O)[C:16](=[CH2:17])[C@@H:15]4O[C:15001]([CH3:15002])=O', '[H][C@]23C[C@@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)CCC[C@]3(C)COC(C)=O)C(=C)[C@@H]4OC(C)=O', '[H][C@:45]23[CH2:26][C@@H:73](O[C:9999]([CH3:9999])=O)[C@@:50]14[CH2:31][C@H:40]([CH2:39][C@H:68](O[C:9999]([CH3:9999])=O)[C@@:61]1([H])[C@:40]2([CH3:18])[CH2:40][CH2:18][CH2:36][C@:36]3([CH3:18])[CH2:72]O[C:9999]([CH3:9999])=O)[C:157](=[CH2:109])[C@@H:81]4O[C:9999]([CH3:9999])=O', '38 41 H 15.10 -12.81 H 16.32 -10.68 C:17 21.32 -9.01 C:18002 14.96 -17.27 C:11002 13.85 -5.52 C:7002 20.00 -14.65 C:15002 21.62 -13.41 C:19 12.84 -13.48 C:20 15.10 -9.01 O 16.74 -15.63 O 16.32 -5.52 O 17.58 -14.65 O 21.88 -10.99 C:2 12.64 -10.41 C:3 12.64 -11.80 C:1 13.85 -9.70 C:18 14.82 -13.57 C:12 17.58 -7.60 C:6 16.32 -12.53 C:14 18.78 -9.70 O 14.41 -14.90 O 15.10 -7.60 O 18.78 -12.53 O 19.67 -11.97 C:18001 15.37 -15.93 C:11001 15.10 -6.20 C:7001 18.78 -13.93 C:15001 21.06 -12.12 C:16 19.92 -9.30 C:13 18.78 -8.29 C:11 16.32 -8.29 C:7 17.58 -11.80 C:15 19.11 -10.68 C:5 15.10 -11.80 C:4 13.85 -12.53 C:9 16.32 -9.70 C:10 15.10 -10.41 C:8 17.58 -10.41 34 1 -1 36 2 -1 3 29 2 4 25 1 5 26 1 6 27 1 7 28 1 35 8 -2 37 9 -2 10 25 2 11 26 2 12 27 2 13 28 2 14 15 1 14 16 1 15 35 1 16 37 1 17 21 1 35 17 -1 18 30 1 18 31 1 19 32 1 19 34 1 30 20 -2 38 20 -2 21 25 1 22 26 1 31 22 -1 23 27 1 32 23 -2 24 28 1 33 24 -2 29 30 1 29 33 1 31 36 1 32 38 1 33 38 1 34 35 1 34 37 1 36 37 1 36 38 1', '38 41 H 15.10 -12.81 H 16.32 -10.68 C 21.32 -9.01 C 14.96 -17.27 C 13.85 -5.52 C 20.00 -14.65 C 21.62 -13.41 C 12.84 -13.48 C 15.10 -9.01 O 16.74 -15.63 O 16.32 -5.52 O 17.58 -14.65 O 21.88 -10.99 C 12.64 -10.41 C 12.64 -11.80 C 13.85 -9.70 C 14.82 -13.57 C 17.58 -7.60 C 16.32 -12.53 C 18.78 -9.70 O 14.41 -14.90 O 15.10 -7.60 O 18.78 -12.53 O 19.67 -11.97 C 15.37 -15.93 C 15.10 -6.20 C 18.78 -13.93 C 21.06 -12.12 C 19.92 -9.30 C 18.78 -8.29 C 16.32 -8.29 C 17.58 -11.80 C 19.11 -10.68 C 15.10 -11.80 C 13.85 -12.53 C 16.32 -9.70 C 15.10 -10.41 C 17.58 -10.41 34 1 -1 36 2 -1 3 29 2 4 25 1 5 26 1 6 27 1 7 28 1 35 8 -2 37 9 -2 10 25 2 11 26 2 12 27 2 13 28 2 14 15 1 14 16 1 15 35 1 16 37 1 17 21 1 35 17 -1 18 30 1 18 31 1 19 32 1 19 34 1 30 20 -2 38 20 -2 21 25 1 22 26 1 31 22 -1 23 27 1 32 23 -2 24 28 1 33 24 -2 29 30 1 29 33 1 31 36 1 32 38 1 33 38 1 34 35 1 34 37 1 36 37 1 36 38 1', '38 41 H 15.10 -12.81 H 16.32 -10.68 C:109 21.32 -9.01 C 14.96 -17.27 C 13.85 -5.52 C 20.00 -14.65 C 21.62 -13.41 C:18 12.84 -13.48 C:18 15.10 -9.01 O 16.74 -15.63 O 16.32 -5.52 O 17.58 -14.65 O 21.88 -10.99 C:18 12.64 -10.41 C:36 12.64 -11.80 C:40 13.85 -9.70 C:72 14.82 -13.57 C:39 17.58 -7.60 C:26 16.32 -12.53 C:31 18.78 -9.70 O 14.41 -14.90 O 15.10 -7.60 O 18.78 -12.53 O 19.67 -11.97 C 15.37 -15.93 C 15.10 -6.20 C 18.78 -13.93 C 21.06 -12.12 C:157 19.92 -9.30 C:40 18.78 -8.29 C:68 16.32 -8.29 C:73 17.58 -11.80 C:81 19.11 -10.68 C:45 15.10 -11.80 C:36 13.85 -12.53 C:61 16.32 -9.70 C:40 15.10 -10.41 C:50 17.58 -10.41 34 1 -1 36 2 -1 3 29 2 4 25 1 5 26 1 6 27 1 7 28 1 35 8 -2 37 9 -2 10 25 2 11 26 2 12 27 2 13 28 2 14 15 1 14 16 1 15 35 1 16 37 1 17 21 1 35 17 -1 18 30 1 18 31 1 19 32 1 19 34 1 30 20 -2 38 20 -2 21 25 1 22 26 1 31 22 -1 23 27 1 32 23 -2 24 28 1 33 24 -2 29 30 1 29 33 1 31 36 1 32 38 1 33 38 1 34 35 1 34 37 1 36 37 1 36 38 1', 'C28H40O8', 504.311, 'C', 'ph07_1557_25', 4286, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16842, 'Farnesyl Formamide', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:13][C:11]([CH3:12])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]N[CH:1001]=O', 'CC(C)=CCCC(C)=CCCC(C)=CCNC=O', '[CH3:18][C:131]([CH3:26])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:124][CH2:26][CH2:39][C:141]([CH3:16])=[CH:119][CH2:36]N[CH:161]=O', '18 17 C:13 9.98 -10.38 C:12 8.77 -12.48 C:14 14.84 -10.38 C:15 19.68 -10.38 O 25.74 -12.48 C:1001 24.53 -11.78 C:10 11.20 -12.48 C:6 16.05 -12.48 C:2 20.90 -12.48 C:9 12.41 -11.78 C:5 17.26 -11.78 C:1 22.11 -11.78 C:8 13.62 -12.48 C:4 18.47 -12.48 N 23.32 -12.48 C:11 9.98 -11.78 C:7 14.84 -11.78 C:3 19.68 -11.78 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C 9.98 -10.38 C 8.77 -12.48 C 14.84 -10.38 C 19.68 -10.38 O 25.74 -12.48 C 24.53 -11.78 C 11.20 -12.48 C 16.05 -12.48 C 20.90 -12.48 C 12.41 -11.78 C 17.26 -11.78 C 22.11 -11.78 C 13.62 -12.48 C 18.47 -12.48 N 23.32 -12.48 C 9.98 -11.78 C 14.84 -11.78 C 19.68 -11.78 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C:18 9.98 -10.38 C:26 8.77 -12.48 C:16 14.84 -10.38 C:16 19.68 -10.38 O 25.74 -12.48 C:161 24.53 -11.78 C:124 11.20 -12.48 C:124 16.05 -12.48 C:119 20.90 -12.48 C:27 12.41 -11.78 C:26 17.26 -11.78 C:36 22.11 -11.78 C:40 13.62 -12.48 C:39 18.47 -12.48 N 23.32 -12.48 C:131 9.98 -11.78 C:135 14.84 -11.78 C:141 19.68 -11.78 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', 'C16H27NO', 249.177, 'C', 'hca08_1553_1', 4216, '', '', '1', 1, NULL, NULL),
(16843, 'Farnesyl Formamide', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:12][C:11]([CH3:13])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]N[CH:1001]=O', 'CC(C)=CCCC(C)=CCCC(C)=CCNC=O', '[CH3:26][C:131]([CH3:18])=[CH:124][CH2:27][CH2:40][C:136]([CH3:16])=[CH:123][CH2:26][CH2:39][C:140]([CH3:16])=[CH:120][CH2:39]N[CH:165]=O', '18 17 C:12 9.39 -11.42 C:13 10.60 -9.32 C:14 15.46 -9.32 C:15 20.30 -9.32 O 25.15 -13.52 C:1001 23.93 -12.82 C:10 11.82 -11.42 C:6 16.67 -11.42 C:2 21.52 -11.42 C:9 13.03 -10.72 C:5 17.88 -10.72 C:1 22.74 -10.72 C:8 14.24 -11.42 C:4 19.09 -11.42 N 23.93 -11.42 C:11 10.60 -10.72 C:7 15.46 -10.72 C:3 20.30 -10.72 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C 9.39 -11.42 C 10.60 -9.32 C 15.46 -9.32 C 20.30 -9.32 O 25.15 -13.52 C 23.93 -12.82 C 11.82 -11.42 C 16.67 -11.42 C 21.52 -11.42 C 13.03 -10.72 C 17.88 -10.72 C 22.74 -10.72 C 14.24 -11.42 C 19.09 -11.42 N 23.93 -11.42 C 10.60 -10.72 C 15.46 -10.72 C 20.30 -10.72 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C:26 9.39 -11.42 C:18 10.60 -9.32 C:16 15.46 -9.32 C:16 20.30 -9.32 O 25.15 -13.52 C:165 23.93 -12.82 C:124 11.82 -11.42 C:123 16.67 -11.42 C:120 21.52 -11.42 C:27 13.03 -10.72 C:26 17.88 -10.72 C:39 22.74 -10.72 C:40 14.24 -11.42 C:39 19.09 -11.42 N 23.93 -11.42 C:131 10.60 -10.72 C:136 15.46 -10.72 C:140 20.30 -10.72 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', 'C16H27NO', 249.177, 'C+C', 'hca08_1553_1', 4216, 'Rot·mero de formamida', '', '1', 1, NULL, NULL),
(16844, 'Isofarnesyl Formamide', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:13][C:11]([CH3:12])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]N[CH:1001]=O', 'CC(C)=CCCC(C)=CCCC(C)=CCNC=O', '[CH3:18][C:132]([CH3:26])=[CH:124][CH2:27][CH2:40][C:136]([CH3:16])=[CH:124][CH2:26][CH2:32][C:141]([CH3:23])=[CH:120][CH2:36]N[CH:161]=O', '18 17 C:13 10.55 -9.33 C:12 9.34 -11.43 C:14 15.41 -9.33 C:15 20.26 -9.33 O 25.12 -13.52 C:1001 23.91 -12.83 C:10 11.77 -11.43 C:6 16.63 -11.43 C:2 21.49 -11.43 C:9 12.98 -10.73 C:5 17.84 -10.73 C:1 21.49 -12.83 C:8 14.19 -11.43 C:4 19.05 -11.43 N 22.70 -13.52 C:11 10.55 -10.73 C:7 15.41 -10.73 C:3 20.26 -10.73 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C 10.55 -9.33 C 9.34 -11.43 C 15.41 -9.33 C 20.26 -9.33 O 25.12 -13.52 C 23.91 -12.83 C 11.77 -11.43 C 16.63 -11.43 C 21.49 -11.43 C 12.98 -10.73 C 17.84 -10.73 C 21.49 -12.83 C 14.19 -11.43 C 19.05 -11.43 N 22.70 -13.52 C 10.55 -10.73 C 15.41 -10.73 C 20.26 -10.73 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C:18 10.55 -9.33 C:26 9.34 -11.43 C:16 15.41 -9.33 C:23 20.26 -9.33 O 25.12 -13.52 C:161 23.91 -12.83 C:124 11.77 -11.43 C:124 16.63 -11.43 C:120 21.49 -11.43 C:27 12.98 -10.73 C:26 17.84 -10.73 C:36 21.49 -12.83 C:40 14.19 -11.43 C:32 19.05 -11.43 N 22.70 -13.52 C:132 10.55 -10.73 C:136 15.41 -10.73 C:141 20.26 -10.73 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', 'C16H27NO', 249.177, 'C+C+C', 'hca08_1553_2', 4216, '', '', '1', 1, NULL, NULL),
(16845, 'Isofarnesyl Formamide', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:13][C:11]([CH3:12])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]N[CH:1001]=O', 'CC(C)=CCCC(C)=CCCC(C)=CCNC=O', '[CH3:18][C:132]([CH3:26])=[CH:124][CH2:27][CH2:40][C:136]([CH3:16])=[CH:123][CH2:26][CH2:32][C:140]([CH3:23])=[CH:121][CH2:39]N[CH:161]=O', '18 17 C:13 11.16 -8.26 C:12 9.95 -10.36 C:14 16.02 -8.26 C:15 20.86 -8.26 O 24.51 -14.55 C:1001 23.30 -13.85 C:10 12.38 -10.36 C:6 17.24 -10.36 C:2 22.09 -10.36 C:9 13.59 -9.66 C:5 18.45 -9.66 C:1 22.09 -11.76 C:8 14.80 -10.36 C:4 19.66 -10.36 N 23.30 -12.45 C:11 11.16 -9.66 C:7 16.02 -9.66 C:3 20.86 -9.66 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C 11.16 -8.26 C 9.95 -10.36 C 16.02 -8.26 C 20.86 -8.26 O 24.51 -14.55 C 23.30 -13.85 C 12.38 -10.36 C 17.24 -10.36 C 22.09 -10.36 C 13.59 -9.66 C 18.45 -9.66 C 22.09 -11.76 C 14.80 -10.36 C 19.66 -10.36 N 23.30 -12.45 C 11.16 -9.66 C 16.02 -9.66 C 20.86 -9.66 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', '18 17 C:18 11.16 -8.26 C:26 9.95 -10.36 C:16 16.02 -8.26 C:23 20.86 -8.26 O 24.51 -14.55 C:161 23.30 -13.85 C:124 12.38 -10.36 C:123 17.24 -10.36 C:121 22.09 -10.36 C:27 13.59 -9.66 C:26 18.45 -9.66 C:39 22.09 -11.76 C:40 14.80 -10.36 C:32 19.66 -10.36 N 23.30 -12.45 C:132 11.16 -9.66 C:136 16.02 -9.66 C:140 20.86 -9.66 1 16 1 2 16 1 3 17 1 4 18 1 5 6 2 6 15 1 7 10 1 7 16 2 8 11 1 8 17 2 9 12 1 9 18 2 10 13 1 11 14 1 12 15 1 13 17 1 14 18 1', 'C16H27NO', 249.177, 'C+C+C+C', 'hca08_1553_2', 4216, 'Rot·mero de formamida', '', '1', 1, NULL, NULL),
(16846, '7-Formamido-7,8-dihydro-a-bisabolane', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@:7]([CH3:14])([CH2:8][CH2:9][CH:10]=[C:11]([CH3:13])[CH3:12])N[CH:7001]=O)[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1', '[H][C@]1([C@](C)(CCC=C(C)C)NC=O)CC=C(C)CC1', '[H][C@:41]1([C@:58]([CH3:21])([CH2:36][CH2:23][CH:123]=[C:132]([CH3:26])[CH3:18])N[CH:160]=O)[CH2:26][CH:120]=[C:134]([CH3:23])[CH2:31][CH2:22]1', '19 19 H 15.38 -11.47 C:13 22.81 -12.54 C:12 21.57 -10.42 C:15 11.70 -14.68 C:14 17.32 -10.61 O 15.92 -8.19 C:7001 16.62 -9.40 C:10 20.36 -12.54 C:2 12.94 -12.54 C:9 19.09 -11.82 C:1 14.15 -11.82 C:4 14.15 -14.68 C:8 17.85 -12.54 C:5 15.38 -13.96 N 15.92 -10.61 C:11 21.57 -11.82 C:3 12.94 -13.96 C:6 15.38 -12.54 C:7 16.62 -11.82 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', '19 19 H 15.38 -11.47 C 22.81 -12.54 C 21.57 -10.42 C 11.70 -14.68 C 17.32 -10.61 O 15.92 -8.19 C 16.62 -9.40 C 20.36 -12.54 C 12.94 -12.54 C 19.09 -11.82 C 14.15 -11.82 C 14.15 -14.68 C 17.85 -12.54 C 15.38 -13.96 N 15.92 -10.61 C 21.57 -11.82 C 12.94 -13.96 C 15.38 -12.54 C 16.62 -11.82 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', '19 19 H 15.38 -11.47 C:26 22.81 -12.54 C:18 21.57 -10.42 C:23 11.70 -14.68 C:21 17.32 -10.61 O 15.92 -8.19 C:160 16.62 -9.40 C:123 20.36 -12.54 C:120 12.94 -12.54 C:23 19.09 -11.82 C:26 14.15 -11.82 C:31 14.15 -14.68 C:36 17.85 -12.54 C:22 15.38 -13.96 N 15.92 -10.61 C:132 21.57 -11.82 C:134 12.94 -13.96 C:41 15.38 -12.54 C:58 16.62 -11.82 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', 'C16H27NO', 249.185, 'C', 'hca08_1553_3', 4216, '', '', '1', 1, NULL, NULL),
(16847, '7-Formamido-7,8-dihydro-a-bisabolane', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@:7]([CH3:14])([CH2:8][CH2:9][CH:10]=[C:11]([CH3:13])[CH3:12])N[CH:7001]=O)[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1', '[H][C@]1([C@](C)(CCC=C(C)C)NC=O)CC=C(C)CC1', '[H][C@:44]1([C@:59]([CH3:21])([CH2:40][CH2:24][CH:124]=[C:133]([CH3:26])[CH3:18])N[CH:163]=O)[CH2:26][CH:120]=[C:134]([CH3:23])[CH2:31][CH2:22]1', '19 19 H 15.38 -10.85 C:13 22.81 -11.92 C:12 21.57 -9.80 C:15 11.70 -14.06 C:14 17.32 -9.99 O 13.82 -8.78 C:7001 14.52 -9.99 C:10 20.36 -11.92 C:2 12.94 -11.92 C:9 19.09 -11.20 C:1 14.15 -11.20 C:4 14.15 -14.06 C:8 17.85 -11.92 C:5 15.38 -13.34 N 15.92 -9.99 C:11 21.57 -11.20 C:3 12.94 -13.34 C:6 15.38 -11.92 C:7 16.62 -11.20 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', '19 19 H 15.38 -10.85 C 22.81 -11.92 C 21.57 -9.80 C 11.70 -14.06 C 17.32 -9.99 O 13.82 -8.78 C 14.52 -9.99 C 20.36 -11.92 C 12.94 -11.92 C 19.09 -11.20 C 14.15 -11.20 C 14.15 -14.06 C 17.85 -11.92 C 15.38 -13.34 N 15.92 -9.99 C 21.57 -11.20 C 12.94 -13.34 C 15.38 -11.92 C 16.62 -11.20 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', '19 19 H 15.38 -10.85 C:26 22.81 -11.92 C:18 21.57 -9.80 C:23 11.70 -14.06 C:21 17.32 -9.99 O 13.82 -8.78 C:163 14.52 -9.99 C:124 20.36 -11.92 C:120 12.94 -11.92 C:24 19.09 -11.20 C:26 14.15 -11.20 C:31 14.15 -14.06 C:40 17.85 -11.92 C:22 15.38 -13.34 N 15.92 -9.99 C:133 21.57 -11.20 C:134 12.94 -13.34 C:44 15.38 -11.92 C:59 16.62 -11.20 18 1 -1 2 16 1 3 16 1 4 17 1 19 5 -2 6 7 2 7 15 1 8 10 1 8 16 2 9 11 1 9 17 2 10 13 1 11 18 1 12 14 1 12 17 1 13 19 1 14 18 1 19 15 -1 18 19 1', 'C16H27NO', 249.185, 'C+C', 'hca08_1553_3', 4216, 'Rot·mero formamida', '', '1', 1, NULL, NULL),
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(16858, 'Crenulatoside E', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:203002][C:203001](=O)O[C@@H:203]2[C@@H:204](O)[C@H:205]([CH3:206])O[C@@H:201](O[CH2:106][C@H:105]1O[C@@H:101](O[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5][CH:6]=[C:7]([CH3:14])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:13])[CH2:12]O)[C@H:102](O)[C@@H:103](O)[C@@H:104]1O)[C@@H:202]2O[C:202001]([CH3:202002])=O', 'CC(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]1O[C@@H](OCC=C(C)CCC=C(C)CCC=C(C)CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2OC(C)=O', '[CH3:21][C:172](=O)O[C@@H:73]2[C@@H:71](O)[C@H:70]([CH3:18])O[C@@H:99](O[CH2:68][C@H:77]1O[C@@H:103](O[CH2:66][CH:121]=[C:142]([CH3:17])[CH2:41][CH2:27][CH:125]=[C:136]([CH3:16])[CH2:41][CH2:27][CH:127]=[C:136]([CH3:14])[CH2:69]O)[C@H:75](O)[C@@H:78](O)[C@@H:72]1O)[C@@H:71]2O[C:172]([CH3:21])=O', '44 45 C:203002 26.92 -5.16 C:202002 28.13 -10.04 C:13 8.75 -14.24 C:14 13.59 -14.24 C:15 18.45 -14.24 C:206 20.86 -7.24 O 24.46 -5.16 O 26.92 -7.94 O 6.33 -15.64 O 26.92 -16.34 O 26.92 -13.54 O 23.28 -5.84 O 24.51 -17.74 C:10 9.96 -16.34 C:6 14.81 -16.34 C:2 19.66 -16.34 C:9 11.17 -15.64 C:5 16.02 -15.64 C:12 7.54 -16.34 C:1 20.86 -15.64 C:8 12.38 -16.34 C:4 17.24 -16.34 C:106 24.51 -12.14 O 22.07 -16.34 O 23.28 -11.43 O 25.70 -7.24 O 25.70 -10.04 O 22.07 -9.34 O 23.28 -14.24 C:203001 25.70 -5.84 C:202001 26.92 -9.34 C:11 8.75 -15.64 C:7 13.59 -15.64 C:3 18.45 -15.64 C:205 22.07 -7.94 C:103 25.70 -15.64 C:104 25.70 -14.24 C:204 23.28 -7.24 C:102 24.51 -16.34 C:105 24.51 -13.54 C:101 23.28 -15.64 C:201 23.28 -10.04 C:203 24.51 -7.94 C:202 24.51 -9.34 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 9 19 1 36 10 -2 37 11 -1 38 12 -2 39 13 -1 14 17 1 14 32 2 15 18 1 15 33 2 16 20 1 16 34 2 17 21 1 18 22 1 19 32 1 20 24 1 21 33 1 22 34 1 23 25 1 40 23 -2 41 24 -2 42 25 -2 26 30 1 43 26 -1 27 31 1 44 27 -1 28 35 1 28 42 1 29 40 1 29 41 1 35 38 1 36 37 1 36 39 1 37 40 1 38 43 1 39 41 1 42 44 1 43 44 1', '44 45 C 26.92 -5.16 C 28.13 -10.04 C 8.75 -14.24 C 13.59 -14.24 C 18.45 -14.24 C 20.86 -7.24 O 24.46 -5.16 O 26.92 -7.94 O 6.33 -15.64 O 26.92 -16.34 O 26.92 -13.54 O 23.28 -5.84 O 24.51 -17.74 C 9.96 -16.34 C 14.81 -16.34 C 19.66 -16.34 C 11.17 -15.64 C 16.02 -15.64 C 7.54 -16.34 C 20.86 -15.64 C 12.38 -16.34 C 17.24 -16.34 C 24.51 -12.14 O 22.07 -16.34 O 23.28 -11.43 O 25.70 -7.24 O 25.70 -10.04 O 22.07 -9.34 O 23.28 -14.24 C 25.70 -5.84 C 26.92 -9.34 C 8.75 -15.64 C 13.59 -15.64 C 18.45 -15.64 C 22.07 -7.94 C 25.70 -15.64 C 25.70 -14.24 C 23.28 -7.24 C 24.51 -16.34 C 24.51 -13.54 C 23.28 -15.64 C 23.28 -10.04 C 24.51 -7.94 C 24.51 -9.34 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 9 19 1 36 10 -2 37 11 -1 38 12 -2 39 13 -1 14 17 1 14 32 2 15 18 1 15 33 2 16 20 1 16 34 2 17 21 1 18 22 1 19 32 1 20 24 1 21 33 1 22 34 1 23 25 1 40 23 -2 41 24 -2 42 25 -2 26 30 1 43 26 -1 27 31 1 44 27 -1 28 35 1 28 42 1 29 40 1 29 41 1 35 38 1 36 37 1 36 39 1 37 40 1 38 43 1 39 41 1 42 44 1 43 44 1', '44 45 C:21 26.92 -5.16 C:21 28.13 -10.04 C:14 8.75 -14.24 C:16 13.59 -14.24 C:17 18.45 -14.24 C:18 20.86 -7.24 O 24.46 -5.16 O 26.92 -7.94 O 6.33 -15.64 O 26.92 -16.34 O 26.92 -13.54 O 23.28 -5.84 O 24.51 -17.74 C:127 9.96 -16.34 C:125 14.81 -16.34 C:121 19.66 -16.34 C:27 11.17 -15.64 C:27 16.02 -15.64 C:69 7.54 -16.34 C:66 20.86 -15.64 C:41 12.38 -16.34 C:41 17.24 -16.34 C:68 24.51 -12.14 O 22.07 -16.34 O 23.28 -11.43 O 25.70 -7.24 O 25.70 -10.04 O 22.07 -9.34 O 23.28 -14.24 C:172 25.70 -5.84 C:172 26.92 -9.34 C:136 8.75 -15.64 C:136 13.59 -15.64 C:142 18.45 -15.64 C:70 22.07 -7.94 C:78 25.70 -15.64 C:72 25.70 -14.24 C:71 23.28 -7.24 C:75 24.51 -16.34 C:77 24.51 -13.54 C:103 23.28 -15.64 C:99 23.28 -10.04 C:73 24.51 -7.94 C:71 24.51 -9.34 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 9 19 1 36 10 -2 37 11 -1 38 12 -2 39 13 -1 14 17 1 14 32 2 15 18 1 15 33 2 16 20 1 16 34 2 17 21 1 18 22 1 19 32 1 20 24 1 21 33 1 22 34 1 23 25 1 40 23 -2 41 24 -2 42 25 -2 26 30 1 43 26 -1 27 31 1 44 27 -1 28 35 1 28 42 1 29 40 1 29 41 1 35 38 1 36 37 1 36 39 1 37 40 1 38 43 1 39 41 1 42 44 1 43 44 1', 'C31H50O13', 630.324, 'M', 'pm08_55_1', 4219, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16859, 'Crenulatoside F', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:12002][C:12001](=O)O[CH2:12][C:11]([CH3:13])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]O[C@@H:101]2O[C@H:105]([CH2:106]O[C@@H:201]1O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]1O[C:202001]([CH3:202002])=O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O', 'CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCO[C@@H]2O[C@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC(C)=O)[C@@H](O)[C@H](O)[C@H]2O', '[CH3:21][C:174](=O)O[CH2:71][C:132]([CH3:14])=[CH:130][CH2:27][CH2:40][C:136]([CH3:16])=[CH:126][CH2:27][CH2:41][C:142]([CH3:17])=[CH:121][CH2:66]O[C@@H:103]2O[C@H:78]([CH2:68]O[C@@H:99]1O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:71](O)[C@H:74]1O[C:172]([CH3:21])=O)[C@@H:72](O)[C@H:77](O)[C@H:75]2O', '44 45 C:12002 5.14 -15.25 C:202002 29.37 -9.65 C:14 14.82 -13.85 C:15 19.68 -13.85 C:13 9.98 -13.85 C:206 22.09 -6.85 O 6.35 -17.35 O 28.16 -7.55 O 24.52 -5.45 O 28.16 -15.95 O 28.16 -13.15 O 25.75 -17.35 O 26.94 -6.85 C:6 16.04 -15.95 C:10 11.19 -15.95 C:2 20.89 -15.95 C:5 17.25 -15.25 C:9 12.40 -15.25 C:1 22.09 -15.25 C:8 13.61 -15.95 C:4 18.47 -15.95 C:12 8.77 -15.95 C:106 25.75 -11.75 O 7.56 -15.25 O 23.31 -15.95 O 24.52 -11.04 O 26.94 -9.65 O 23.31 -8.95 O 24.52 -13.85 C:12001 6.35 -15.95 C:202001 28.16 -8.95 C:7 14.82 -15.25 C:3 19.68 -15.25 C:11 9.98 -15.25 C:205 23.31 -7.55 C:204 24.52 -6.85 C:103 26.94 -15.25 C:104 26.94 -13.85 C:102 25.75 -15.95 C:203 25.75 -7.55 C:105 25.75 -13.15 C:101 24.52 -15.25 C:201 24.52 -9.65 C:202 25.75 -8.95 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -2 38 11 -1 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 36 1 36 40 1 37 38 1 37 39 1 38 41 1 39 42 1 40 44 1 43 44 1', '44 45 C 5.14 -15.25 C 29.37 -9.65 C 14.82 -13.85 C 19.68 -13.85 C 9.98 -13.85 C 22.09 -6.85 O 6.35 -17.35 O 28.16 -7.55 O 24.52 -5.45 O 28.16 -15.95 O 28.16 -13.15 O 25.75 -17.35 O 26.94 -6.85 C 16.04 -15.95 C 11.19 -15.95 C 20.89 -15.95 C 17.25 -15.25 C 12.40 -15.25 C 22.09 -15.25 C 13.61 -15.95 C 18.47 -15.95 C 8.77 -15.95 C 25.75 -11.75 O 7.56 -15.25 O 23.31 -15.95 O 24.52 -11.04 O 26.94 -9.65 O 23.31 -8.95 O 24.52 -13.85 C 6.35 -15.95 C 28.16 -8.95 C 14.82 -15.25 C 19.68 -15.25 C 9.98 -15.25 C 23.31 -7.55 C 24.52 -6.85 C 26.94 -15.25 C 26.94 -13.85 C 25.75 -15.95 C 25.75 -7.55 C 25.75 -13.15 C 24.52 -15.25 C 24.52 -9.65 C 25.75 -8.95 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -2 38 11 -1 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 36 1 36 40 1 37 38 1 37 39 1 38 41 1 39 42 1 40 44 1 43 44 1', '44 45 C:21 5.14 -15.25 C:21 29.37 -9.65 C:16 14.82 -13.85 C:17 19.68 -13.85 C:14 9.98 -13.85 C:18 22.09 -6.85 O 6.35 -17.35 O 28.16 -7.55 O 24.52 -5.45 O 28.16 -15.95 O 28.16 -13.15 O 25.75 -17.35 O 26.94 -6.85 C:126 16.04 -15.95 C:130 11.19 -15.95 C:121 20.89 -15.95 C:27 17.25 -15.25 C:27 12.40 -15.25 C:66 22.09 -15.25 C:40 13.61 -15.95 C:41 18.47 -15.95 C:71 8.77 -15.95 C:68 25.75 -11.75 O 7.56 -15.25 O 23.31 -15.95 O 24.52 -11.04 O 26.94 -9.65 O 23.31 -8.95 O 24.52 -13.85 C:174 6.35 -15.95 C:172 28.16 -8.95 C:136 14.82 -15.25 C:142 19.68 -15.25 C:132 9.98 -15.25 C:70 23.31 -7.55 C:74 24.52 -6.85 C:77 26.94 -15.25 C:72 26.94 -13.85 C:75 25.75 -15.95 C:71 25.75 -7.55 C:78 25.75 -13.15 C:103 24.52 -15.25 C:99 24.52 -9.65 C:74 25.75 -8.95 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -2 38 11 -1 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 36 1 36 40 1 37 38 1 37 39 1 38 41 1 39 42 1 40 44 1 43 44 1', 'C31H50O13', 630.324, 'M', 'pm08_55_2', 4219, '', '', '1', 1, NULL, NULL),
(16860, 'Crenulatoside G', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH3:12002][C:12001](=O)O[CH2:12][C:11]([CH3:13])=[CH:10][CH2:9][CH2:8][C:7]([CH3:14])=[CH:6][CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][CH2:1]O[C@@H:101]2O[C@H:105]([CH2:106]O[C@@H:201]1O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O[C:203001]([CH3:203002])=O)[C@H:202]1O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O', 'CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCO[C@@H]2O[C@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O', '[CH3:21][C:174](=O)O[CH2:71][C:133]([CH3:14])=[CH:130][CH2:27][CH2:40][C:138]([CH3:16])=[CH:126][CH2:27][CH2:41][C:143]([CH3:17])=[CH:121][CH2:66]O[C@@H:102]2O[C@H:77]([CH2:68]O[C@@H:102]1O[C@@H:70]([CH3:18])[C@H:71](O)[C@@H:76](O[C:173]([CH3:21])=O)[C@H:70]1O)[C@@H:72](O)[C@H:78](O)[C@H:75]2O', '44 45 C:12002 5.76 -15.64 C:203002 28.73 -5.11 C:14 15.44 -14.24 C:15 20.30 -14.24 C:13 10.60 -14.24 C:206 22.71 -7.24 O 6.97 -17.74 O 26.30 -5.17 O 28.78 -16.34 O 28.78 -13.54 O 25.14 -5.84 O 26.37 -17.74 O 27.56 -10.04 C:6 16.66 -16.34 C:10 11.81 -16.34 C:2 21.51 -16.34 C:5 17.87 -15.64 C:9 13.02 -15.64 C:1 22.71 -15.64 C:8 14.23 -16.34 C:4 19.09 -16.34 C:12 9.39 -16.34 C:106 26.37 -12.14 O 8.18 -15.64 O 23.93 -16.34 O 25.14 -11.43 O 27.56 -7.24 O 23.93 -9.34 O 25.14 -14.24 C:12001 6.97 -16.34 C:203001 27.56 -5.84 C:7 15.44 -15.64 C:3 20.30 -15.64 C:11 10.60 -15.64 C:205 23.93 -7.94 C:103 27.56 -15.64 C:104 27.56 -14.24 C:204 25.14 -7.24 C:102 26.37 -16.34 C:202 26.37 -9.34 C:105 26.37 -13.54 C:101 25.14 -15.64 C:201 25.14 -10.04 C:203 26.37 -7.94 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 38 1 36 37 1 36 39 1 37 41 1 38 44 1 39 42 1 40 43 1 40 44 1', '44 45 C 5.76 -15.64 C 28.73 -5.11 C 15.44 -14.24 C 20.30 -14.24 C 10.60 -14.24 C 22.71 -7.24 O 6.97 -17.74 O 26.30 -5.17 O 28.78 -16.34 O 28.78 -13.54 O 25.14 -5.84 O 26.37 -17.74 O 27.56 -10.04 C 16.66 -16.34 C 11.81 -16.34 C 21.51 -16.34 C 17.87 -15.64 C 13.02 -15.64 C 22.71 -15.64 C 14.23 -16.34 C 19.09 -16.34 C 9.39 -16.34 C 26.37 -12.14 O 8.18 -15.64 O 23.93 -16.34 O 25.14 -11.43 O 27.56 -7.24 O 23.93 -9.34 O 25.14 -14.24 C 6.97 -16.34 C 27.56 -5.84 C 15.44 -15.64 C 20.30 -15.64 C 10.60 -15.64 C 23.93 -7.94 C 27.56 -15.64 C 27.56 -14.24 C 25.14 -7.24 C 26.37 -16.34 C 26.37 -9.34 C 26.37 -13.54 C 25.14 -15.64 C 25.14 -10.04 C 26.37 -7.94 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 38 1 36 37 1 36 39 1 37 41 1 38 44 1 39 42 1 40 43 1 40 44 1', '44 45 C:21 5.76 -15.64 C:21 28.73 -5.11 C:16 15.44 -14.24 C:17 20.30 -14.24 C:14 10.60 -14.24 C:18 22.71 -7.24 O 6.97 -17.74 O 26.30 -5.17 O 28.78 -16.34 O 28.78 -13.54 O 25.14 -5.84 O 26.37 -17.74 O 27.56 -10.04 C:126 16.66 -16.34 C:130 11.81 -16.34 C:121 21.51 -16.34 C:27 17.87 -15.64 C:27 13.02 -15.64 C:66 22.71 -15.64 C:40 14.23 -16.34 C:41 19.09 -16.34 C:71 9.39 -16.34 C:68 26.37 -12.14 O 8.18 -15.64 O 23.93 -16.34 O 25.14 -11.43 O 27.56 -7.24 O 23.93 -9.34 O 25.14 -14.24 C:174 6.97 -16.34 C:173 27.56 -5.84 C:138 15.44 -15.64 C:143 20.30 -15.64 C:133 10.60 -15.64 C:70 23.93 -7.94 C:78 27.56 -15.64 C:72 27.56 -14.24 C:71 25.14 -7.24 C:75 26.37 -16.34 C:70 26.37 -9.34 C:77 26.37 -13.54 C:102 25.14 -15.64 C:102 25.14 -10.04 C:76 26.37 -7.94 1 30 1 2 31 1 3 32 1 4 33 1 5 34 1 35 6 -1 7 30 2 8 31 2 36 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -1 14 17 1 14 32 2 15 18 1 15 34 2 16 19 1 16 33 2 17 21 1 18 20 1 19 25 1 20 32 1 21 33 1 22 24 1 22 34 1 23 26 1 41 23 -2 24 30 1 42 25 -2 43 26 -2 27 31 1 44 27 -1 28 35 1 28 43 1 29 41 1 29 42 1 35 38 1 36 37 1 36 39 1 37 41 1 38 44 1 39 42 1 40 43 1 40 44 1', 'C31H50O13', 630.324, 'M', 'pm08_55_3', 4219, '', '', '1', 1, NULL, NULL),
(16861, 'Nerolidol-3-O-α-L-rhamnopyranosyl(1-4)-α-L-rhamnopyranosyl(1-2)-[α-L-rhamnopyranosyl(1-6)]-β-D-glucopyranoside', '', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH2:1]=[CH:2][C:3]([CH3:15])([CH2:4][CH2:5][CH:6]=[C:7]([CH3:14])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:13])[CH3:12])O[C@@H:101]2O[C@H:105]([CH2:106]O[C@@H:401]1O[C@@H:405]([CH3:406])[C@H:404](O)[C@@H:403](O)[C@H:402]1O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O[C@@H:201]4O[C@@H:205]([CH3:206])[C@H:204](O[C@@H:301]3O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]3O)[C@@H:203](O)[C@H:202]4O', 'C=CC(C)(CCC=C(C)CCC=C(C)C)O[C@@H]2O[C@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]4O', '[CH2:115]=[CH:143][C:79]([CH3:22])([CH2:41][CH2:25][CH:124]=[C:134]([CH3:16])[CH2:40][CH2:26][CH:124]=[C:130]([CH3:18])[CH3:22])O[C@@H:96]2O[C@H:75]([CH2:69]O[C@@H:101]1O[C@@H:70]([CH3:17])[C@H:75](O)[C@@H:71](O)[C@H:71]1O)[C@@H:76](O)[C@H:70](O)[C@H:79]2O[C@@H:101]4O[C@@H:68]([CH3:18])[C@H:78](O[C@@H:99]3O[C@@H:70]([CH3:18])[C@H:75](O)[C@@H:71](O)[C@H:71]3O)[C@@H:71](O)[C@H:71]4O', '57 60 C:1 19.66 -17.77 C:13 8.73 -14.27 C:12 7.51 -16.37 C:14 11.16 -18.47 C:406 25.57 -12.88 C:306 16.52 -6.83 C:206 15.12 -9.25 C:15 17.93 -16.56 O 26.99 -15.32 O 15.12 -4.39 O 25.57 -17.77 O 12.36 -4.39 O 19.29 -11.65 O 22.77 -17.77 O 10.91 -6.83 O 12.36 -14.09 O 16.60 -11.65 O 10.91 -11.65 C:2 18.46 -18.47 C:10 9.95 -16.37 C:6 13.58 -18.47 C:9 11.16 -15.67 C:5 14.78 -17.77 C:8 12.36 -16.37 C:106 20.70 -14.09 C:4 16.02 -18.47 O 21.40 -15.32 O 23.49 -14.09 O 14.42 -8.03 O 15.12 -11.65 O 18.60 -15.32 O 12.36 -9.25 O 15.12 -14.09 O 16.52 -16.56 C:11 8.73 -15.67 C:7 12.36 -17.77 C:405 24.88 -14.09 C:305 15.12 -6.82 C:205 14.42 -10.45 C:404 25.57 -15.32 C:304 14.42 -5.60 C:403 24.88 -16.56 C:303 13.02 -5.60 C:104 18.60 -12.88 C:402 23.49 -16.56 C:302 12.36 -6.82 C:202 13.02 -12.88 C:103 17.24 -12.88 C:203 12.36 -11.65 C:105 19.29 -14.09 C:401 22.77 -15.32 C:301 13.02 -8.03 C:201 14.42 -12.88 C:101 17.24 -15.32 C:204 13.02 -10.45 C:102 16.52 -14.09 C:3 17.24 -17.77 1 19 2 2 35 1 3 35 1 4 36 1 37 5 -1 38 6 -2 39 7 -2 8 57 1 40 9 -2 41 10 -1 42 11 -1 43 12 -2 44 13 -2 45 14 -1 46 15 -2 47 16 -2 48 17 -1 49 18 -2 19 57 1 20 22 1 20 35 2 21 23 1 21 36 2 22 24 1 23 26 1 24 36 1 25 27 1 50 25 -1 26 57 1 51 27 -2 28 37 1 28 51 1 29 38 1 29 52 1 30 39 1 30 53 1 31 50 1 31 54 1 52 32 -1 55 32 -1 53 33 -1 56 33 -2 54 34 -1 34 57 1 37 40 1 38 41 1 39 55 1 40 42 1 41 43 1 42 45 1 43 46 1 44 48 1 44 50 1 45 51 1 46 52 1 47 49 1 47 53 1 48 56 1 49 55 1 54 56 1', '57 60 C 19.66 -17.77 C 8.73 -14.27 C 7.51 -16.37 C 11.16 -18.47 C 25.57 -12.88 C 16.52 -6.83 C 15.12 -9.25 C 17.93 -16.56 O 26.99 -15.32 O 15.12 -4.39 O 25.57 -17.77 O 12.36 -4.39 O 19.29 -11.65 O 22.77 -17.77 O 10.91 -6.83 O 12.36 -14.09 O 16.60 -11.65 O 10.91 -11.65 C 18.46 -18.47 C 9.95 -16.37 C 13.58 -18.47 C 11.16 -15.67 C 14.78 -17.77 C 12.36 -16.37 C 20.70 -14.09 C 16.02 -18.47 O 21.40 -15.32 O 23.49 -14.09 O 14.42 -8.03 O 15.12 -11.65 O 18.60 -15.32 O 12.36 -9.25 O 15.12 -14.09 O 16.52 -16.56 C 8.73 -15.67 C 12.36 -17.77 C 24.88 -14.09 C 15.12 -6.82 C 14.42 -10.45 C 25.57 -15.32 C 14.42 -5.60 C 24.88 -16.56 C 13.02 -5.60 C 18.60 -12.88 C 23.49 -16.56 C 12.36 -6.82 C 13.02 -12.88 C 17.24 -12.88 C 12.36 -11.65 C 19.29 -14.09 C 22.77 -15.32 C 13.02 -8.03 C 14.42 -12.88 C 17.24 -15.32 C 13.02 -10.45 C 16.52 -14.09 C 17.24 -17.77 1 19 2 2 35 1 3 35 1 4 36 1 37 5 -1 38 6 -2 39 7 -2 8 57 1 40 9 -2 41 10 -1 42 11 -1 43 12 -2 44 13 -2 45 14 -1 46 15 -2 47 16 -2 48 17 -1 49 18 -2 19 57 1 20 22 1 20 35 2 21 23 1 21 36 2 22 24 1 23 26 1 24 36 1 25 27 1 50 25 -1 26 57 1 51 27 -2 28 37 1 28 51 1 29 38 1 29 52 1 30 39 1 30 53 1 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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16874, '', '15-Tetrahydropyranyloxy-ent-halima-1(10),13E-diene', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[H][C@:5]23[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]([CH3:20])([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[CH:101]1[CH2:102][CH2:103][CH2:104][CH2:105]O1)[C:10]2=[CH:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@@H](C)[C@](C)(CCC(C)=CCOC1CCCCO1)C2=CCC[C@@]3(C)C', '[H][C@:44]23[CH2:24][CH2:29][C@@H:39]([CH3:16])[C@:43]([CH3:23])([CH2:38][CH2:35][C:141]([CH3:17])=[CH:120][CH2:64]O[CH:98]1[CH2:31][CH2:26][CH2:20][CH2:62]O1)[C:142]2=[CH:120][CH2:23][CH2:34][C@@:32]3([CH3:26])[CH3:28]', '28 30 H 14.19 -15.70 C:16 15.42 -8.37 C:17 17.89 -12.60 C:18 13.90 -16.50 C:19 12.01 -16.50 C:20 16.54 -11.72 C:1 12.96 -12.60 C:14 17.89 -8.37 C:2 11.73 -13.32 C:104 22.76 -8.48 C:103 22.76 -7.08 C:15 17.89 -6.97 C:105 21.50 -9.15 C:12 16.66 -10.47 C:102 21.56 -6.36 C:7 16.66 -14.75 C:3 11.73 -14.75 C:11 15.42 -11.18 C:6 15.42 -15.46 O 19.14 -6.30 O 20.33 -8.43 C:13 16.66 -9.06 C:10 14.19 -13.32 C:8 16.66 -13.32 C:101 20.33 -7.03 C:4 12.96 -15.46 C:5 14.19 -14.75 C:9 15.42 -12.60 27 1 -1 2 22 1 24 3 -2 26 4 -1 26 5 -2 28 6 -2 7 9 1 7 23 2 8 12 1 8 22 2 9 17 1 10 11 1 10 13 1 11 15 1 12 20 1 13 21 1 14 18 1 14 22 1 15 25 1 16 19 1 16 24 1 17 26 1 18 28 1 19 27 1 20 25 1 21 25 1 23 27 1 23 28 1 24 28 1 26 27 1', '28 30 H 14.19 -15.70 C 15.42 -8.37 C 17.89 -12.60 C 13.90 -16.50 C 12.01 -16.50 C 16.54 -11.72 C 12.96 -12.60 C 17.89 -8.37 C 11.73 -13.32 C 22.76 -8.48 C 22.76 -7.08 C 17.89 -6.97 C 21.50 -9.15 C 16.66 -10.47 C 21.56 -6.36 C 16.66 -14.75 C 11.73 -14.75 C 15.42 -11.18 C 15.42 -15.46 O 19.14 -6.30 O 20.33 -8.43 C 16.66 -9.06 C 14.19 -13.32 C 16.66 -13.32 C 20.33 -7.03 C 12.96 -15.46 C 14.19 -14.75 C 15.42 -12.60 27 1 -1 2 22 1 24 3 -2 26 4 -1 26 5 -2 28 6 -2 7 9 1 7 23 2 8 12 1 8 22 2 9 17 1 10 11 1 10 13 1 11 15 1 12 20 1 13 21 1 14 18 1 14 22 1 15 25 1 16 19 1 16 24 1 17 26 1 18 28 1 19 27 1 20 25 1 21 25 1 23 27 1 23 28 1 24 28 1 26 27 1', '28 30 H 14.19 -15.70 C:17 15.42 -8.37 C:16 17.89 -12.60 C:26 13.90 -16.50 C:28 12.01 -16.50 C:23 16.54 -11.72 C:120 12.96 -12.60 C:120 17.89 -8.37 C:23 11.73 -13.32 C:20 22.76 -8.48 C:26 22.76 -7.08 C:64 17.89 -6.97 C:62 21.50 -9.15 C:35 16.66 -10.47 C:31 21.56 -6.36 C:29 16.66 -14.75 C:34 11.73 -14.75 C:38 15.42 -11.18 C:24 15.42 -15.46 O 19.14 -6.30 O 20.33 -8.43 C:141 16.66 -9.06 C:142 14.19 -13.32 C:39 16.66 -13.32 C:98 20.33 -7.03 C:32 12.96 -15.46 C:44 14.19 -14.75 C:43 15.42 -12.60 27 1 -1 2 22 1 24 3 -2 26 4 -1 26 5 -2 28 6 -2 7 9 1 7 23 2 8 12 1 8 22 2 9 17 1 10 11 1 10 13 1 11 15 1 12 20 1 13 21 1 14 18 1 14 22 1 15 25 1 16 19 1 16 24 1 17 26 1 18 28 1 19 27 1 20 25 1 21 25 1 23 27 1 23 28 1 24 28 1 26 27 1', 'C25H42O2', 374.274, 'C', 'th05_11672_15', 4221, '', '', '1', 1, NULL, NULL),
(16875, '', '15-Tetrahydropyranyloxy-ent-halima-1(10),13Edien-18-al', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[H][C@:5]23[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]([CH3:20])([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[CH:101]1[CH2:102][CH2:103][CH2:104][CH2:105]O1)[C:10]2=[CH:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH:18]=O', '[H][C@]23CC[C@@H](C)[C@](C)(CCC(C)=CCOC1CCCCO1)C2=CCC[C@]3(C)C=O', '[H][C@:36]23[CH2:23][CH2:28][C@@H:39]([CH3:16])[C@:43]([CH3:23])([CH2:38][CH2:34][C:141]([CH3:17])=[CH:120][CH2:64]O[CH:98]1[CH2:31][CH2:26][CH2:20][CH2:62]O1)[C:141]2=[CH:120][CH2:23][CH2:29][C@:48]3([CH3:18])[CH:206]=O', '29 31 H 14.19 -15.08 C:16 15.42 -7.75 C:17 17.89 -11.98 C:19 12.01 -15.88 C:20 16.54 -11.10 O 13.47 -17.21 C:18 13.90 -15.88 C:1 12.96 -11.98 C:14 17.89 -7.75 C:2 11.73 -12.70 C:15 17.89 -6.35 C:104 22.76 -7.86 C:103 22.76 -6.46 C:105 21.50 -8.53 C:12 16.66 -9.85 C:102 21.56 -5.74 C:7 16.66 -14.13 C:3 11.73 -14.13 C:11 15.42 -10.56 C:6 15.42 -14.84 O 19.14 -5.68 O 20.33 -7.81 C:13 16.66 -8.44 C:10 14.19 -12.70 C:8 16.66 -12.70 C:101 20.33 -6.41 C:4 12.96 -14.84 C:5 14.19 -14.13 C:9 15.42 -11.98 28 1 -1 2 23 1 25 3 -2 27 4 -2 29 5 -2 6 7 2 27 7 -1 8 10 1 8 24 2 9 11 1 9 23 2 10 18 1 11 21 1 12 13 1 12 14 1 13 16 1 14 22 1 15 19 1 15 23 1 16 26 1 17 20 1 17 25 1 18 27 1 19 29 1 20 28 1 21 26 1 22 26 1 24 28 1 24 29 1 25 29 1 27 28 1', '29 31 H 14.19 -15.08 C 15.42 -7.75 C 17.89 -11.98 C 12.01 -15.88 C 16.54 -11.10 O 13.47 -17.21 C 13.90 -15.88 C 12.96 -11.98 C 17.89 -7.75 C 11.73 -12.70 C 17.89 -6.35 C 22.76 -7.86 C 22.76 -6.46 C 21.50 -8.53 C 16.66 -9.85 C 21.56 -5.74 C 16.66 -14.13 C 11.73 -14.13 C 15.42 -10.56 C 15.42 -14.84 O 19.14 -5.68 O 20.33 -7.81 C 16.66 -8.44 C 14.19 -12.70 C 16.66 -12.70 C 20.33 -6.41 C 12.96 -14.84 C 14.19 -14.13 C 15.42 -11.98 28 1 -1 2 23 1 25 3 -2 27 4 -2 29 5 -2 6 7 2 27 7 -1 8 10 1 8 24 2 9 11 1 9 23 2 10 18 1 11 21 1 12 13 1 12 14 1 13 16 1 14 22 1 15 19 1 15 23 1 16 26 1 17 20 1 17 25 1 18 27 1 19 29 1 20 28 1 21 26 1 22 26 1 24 28 1 24 29 1 25 29 1 27 28 1', '29 31 H 14.19 -15.08 C:17 15.42 -7.75 C:16 17.89 -11.98 C:18 12.01 -15.88 C:23 16.54 -11.10 O 13.47 -17.21 C:206 13.90 -15.88 C:120 12.96 -11.98 C:120 17.89 -7.75 C:23 11.73 -12.70 C:64 17.89 -6.35 C:20 22.76 -7.86 C:26 22.76 -6.46 C:62 21.50 -8.53 C:34 16.66 -9.85 C:31 21.56 -5.74 C:28 16.66 -14.13 C:29 11.73 -14.13 C:38 15.42 -10.56 C:23 15.42 -14.84 O 19.14 -5.68 O 20.33 -7.81 C:141 16.66 -8.44 C:141 14.19 -12.70 C:39 16.66 -12.70 C:98 20.33 -6.41 C:48 12.96 -14.84 C:36 14.19 -14.13 C:43 15.42 -11.98 28 1 -1 2 23 1 25 3 -2 27 4 -2 29 5 -2 6 7 2 27 7 -1 8 10 1 8 24 2 9 11 1 9 23 2 10 18 1 11 21 1 12 13 1 12 14 1 13 16 1 14 22 1 15 19 1 15 23 1 16 26 1 17 20 1 17 25 1 18 27 1 19 29 1 20 28 1 21 26 1 22 26 1 24 28 1 24 29 1 25 29 1 27 28 1', 'C25H40O3', 388.274, 'C', 'th05_11672_14', 4221, '', '', '1', 1, NULL, NULL),
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(16891, '10β-Hydroxy-2-epi-16-deoxysarcophine', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:2]23[CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][C@@H:7]1O[C@@:8]1([CH3:19])[CH2:9][C@H:10](O)[CH:11]=[C:12]([CH3:20])[CH2:13][CH2:14][C:1]2=[C:15]([CH3:17])[CH2:16]O3', '[H][C@@]23C=C(C)CC[C@@H]1O[C@@]1(C)C[C@H](O)C=C(C)CCC2=C(C)CO3', '[H][C@@:85]23[CH:125]=[C:140]([CH3:18])[CH2:35][CH2:26][C@@H:62]1O[C@@:59]1([CH3:20])[CH2:45][C@H:65](O)[CH:127]=[C:139]([CH3:16])[CH2:38][CH2:23][C:134]2=[C:129]([CH3:11])[CH2:79]O3', '24 26 H 17.39 -8.46 C:20 15.85 -13.56 C:18 15.85 -7.15 C:17 21.30 -10.75 C:19 13.76 -10.37 O 13.06 -13.97 C:11 14.20 -11.73 C:3 16.63 -9.50 C:13 16.63 -11.22 C:5 14.20 -9.01 C:14 18.01 -11.53 C:6 13.06 -8.18 C:16 20.18 -8.57 C:9 11.89 -11.73 O 18.85 -8.09 O 10.94 -10.05 C:12 15.56 -12.16 C:4 15.56 -8.57 C:15 20.18 -9.93 C:1 18.85 -10.37 C:10 13.06 -12.57 C:7 11.89 -9.01 C:2 18.01 -9.19 C:8 12.33 -10.37 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 17 2 7 21 1 8 18 2 8 23 1 9 11 1 9 17 1 10 12 1 10 18 1 11 20 1 12 22 1 13 15 1 13 19 1 14 21 1 14 24 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 23 1 22 24 1', '24 26 H 17.39 -8.46 C 15.85 -13.56 C 15.85 -7.15 C 21.30 -10.75 C 13.76 -10.37 O 13.06 -13.97 C 14.20 -11.73 C 16.63 -9.50 C 16.63 -11.22 C 14.20 -9.01 C 18.01 -11.53 C 13.06 -8.18 C 20.18 -8.57 C 11.89 -11.73 O 18.85 -8.09 O 10.94 -10.05 C 15.56 -12.16 C 15.56 -8.57 C 20.18 -9.93 C 18.85 -10.37 C 13.06 -12.57 C 11.89 -9.01 C 18.01 -9.19 C 12.33 -10.37 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 17 2 7 21 1 8 18 2 8 23 1 9 11 1 9 17 1 10 12 1 10 18 1 11 20 1 12 22 1 13 15 1 13 19 1 14 21 1 14 24 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 23 1 22 24 1', '24 26 H 17.39 -8.46 C:16 15.85 -13.56 C:18 15.85 -7.15 C:11 21.30 -10.75 C:20 13.76 -10.37 O 13.06 -13.97 C:127 14.20 -11.73 C:125 16.63 -9.50 C:38 16.63 -11.22 C:35 14.20 -9.01 C:23 18.01 -11.53 C:26 13.06 -8.18 C:79 20.18 -8.57 C:45 11.89 -11.73 O 18.85 -8.09 O 10.94 -10.05 C:139 15.56 -12.16 C:140 15.56 -8.57 C:129 20.18 -9.93 C:134 18.85 -10.37 C:65 13.06 -12.57 C:62 11.89 -9.01 C:85 18.01 -9.19 C:59 12.33 -10.37 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 17 2 7 21 1 8 18 2 8 23 1 9 11 1 9 17 1 10 12 1 10 18 1 11 20 1 12 22 1 13 15 1 13 19 1 14 21 1 14 24 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 23 1 22 24 1', 'C20H30O3', 318.22, 'C', 'np06_1010_7', 4224, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16892, '', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@:2]23[CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][C@@H:7]1O[C@@:8]1([CH3:19])[C@@H:9](O)[CH2:10][CH:11]=[C:12]([CH3:20])[CH2:13][CH2:14][C:1]2=[C:15]([CH3:17])[C:16](=O)O3', '[H][C@]23C=C(C)CC[C@@H]1O[C@@]1(C)[C@@H](O)CC=C(C)CCC2=C(C)C(=O)O3', '[H][C@:80]23[CH:119]=[C:145]([CH3:18])[CH2:35][CH2:27][C@@H:61]1O[C@@:63]1([CH3:10])[C@@H:79](O)[CH2:32][CH:119]=[C:138]([CH3:17])[CH2:38][CH2:29][C:163]2=[C:123]([CH3:9])[C:175](=O)O3', '25 27 H 17.62 -8.68 C:20 16.09 -13.79 C:18 16.09 -7.37 C:17 21.50 -10.97 C:19 13.99 -10.58 O 21.50 -7.95 O 10.78 -12.35 C:11 14.42 -11.94 C:3 16.86 -9.71 C:13 16.86 -11.43 C:14 18.23 -11.74 C:5 14.42 -9.22 C:10 13.26 -12.79 C:6 13.26 -8.38 O 19.07 -8.30 O 11.17 -10.27 C:12 15.78 -12.35 C:4 15.78 -8.79 C:15 20.39 -10.15 C:16 20.39 -8.79 C:1 19.07 -10.58 C:9 12.10 -11.94 C:7 12.10 -9.22 C:2 18.23 -9.41 C:8 12.53 -10.58 24 1 -1 2 17 1 3 18 1 4 19 1 5 25 1 6 20 2 22 7 -2 8 13 1 8 17 2 9 18 2 9 24 1 10 11 1 10 17 1 11 21 1 12 14 1 12 18 1 13 22 1 14 23 1 15 20 1 15 24 1 23 16 -1 25 16 -1 19 20 1 19 21 2 21 24 1 22 25 1 23 25 1', '25 27 H 17.62 -8.68 C 16.09 -13.79 C 16.09 -7.37 C 21.50 -10.97 C 13.99 -10.58 O 21.50 -7.95 O 10.78 -12.35 C 14.42 -11.94 C 16.86 -9.71 C 16.86 -11.43 C 18.23 -11.74 C 14.42 -9.22 C 13.26 -12.79 C 13.26 -8.38 O 19.07 -8.30 O 11.17 -10.27 C 15.78 -12.35 C 15.78 -8.79 C 20.39 -10.15 C 20.39 -8.79 C 19.07 -10.58 C 12.10 -11.94 C 12.10 -9.22 C 18.23 -9.41 C 12.53 -10.58 24 1 -1 2 17 1 3 18 1 4 19 1 5 25 1 6 20 2 22 7 -2 8 13 1 8 17 2 9 18 2 9 24 1 10 11 1 10 17 1 11 21 1 12 14 1 12 18 1 13 22 1 14 23 1 15 20 1 15 24 1 23 16 -1 25 16 -1 19 20 1 19 21 2 21 24 1 22 25 1 23 25 1', '25 27 H 17.62 -8.68 C:17 16.09 -13.79 C:18 16.09 -7.37 C:9 21.50 -10.97 C:10 13.99 -10.58 O 21.50 -7.95 O 10.78 -12.35 C:119 14.42 -11.94 C:119 16.86 -9.71 C:38 16.86 -11.43 C:29 18.23 -11.74 C:35 14.42 -9.22 C:32 13.26 -12.79 C:27 13.26 -8.38 O 19.07 -8.30 O 11.17 -10.27 C:138 15.78 -12.35 C:145 15.78 -8.79 C:123 20.39 -10.15 C:175 20.39 -8.79 C:163 19.07 -10.58 C:79 12.10 -11.94 C:61 12.10 -9.22 C:80 18.23 -9.41 C:63 12.53 -10.58 24 1 -1 2 17 1 3 18 1 4 19 1 5 25 1 6 20 2 22 7 -2 8 13 1 8 17 2 9 18 2 9 24 1 10 11 1 10 17 1 11 21 1 12 14 1 12 18 1 13 22 1 14 23 1 15 20 1 15 24 1 23 16 -1 25 16 -1 19 20 1 19 21 2 21 24 1 22 25 1 23 25 1', 'C20H28O4', 332.22, 'C', 'np_06_1010_8', 4224, '', '', '1', 47, NULL, NULL),
(16893, '14β-Hydroxy-2-epi-16-deoxysarcophine', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:2]23[CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][C@@H:7]1O[C@@:8]1([CH3:19])[CH2:9][CH2:10][CH:11]=[C:12]([CH3:20])[CH2:13][C@H:14](O)[C:1]2=[C:15]([CH3:17])[CH2:16]O3', '[H][C@@]23C=C(C)CC[C@@H]1O[C@@]1(C)CCC=C(C)C[C@H](O)C2=C(C)CO3', '[H][C@@:84]23[CH:126]=[C:139]([CH3:16])[CH2:37][CH2:26][C@@H:61]1O[C@@:61]1([CH3:18])[CH2:36][CH2:23][CH:128]=[C:128]([CH3:17])[CH2:46][C@H:66](O)[C:137]2=[C:131]([CH3:11])[CH2:79]O3', '24 26 H 17.38 -8.68 C:18 15.84 -7.37 C:20 15.84 -13.78 C:17 21.29 -10.97 C:19 13.75 -10.59 O 18.48 -13.07 C:11 14.19 -11.95 C:3 16.62 -9.72 C:10 13.05 -12.79 C:5 14.19 -9.23 C:6 13.05 -8.40 C:16 20.17 -8.79 C:9 11.88 -11.95 C:13 16.62 -11.44 O 18.84 -8.31 O 10.94 -10.27 C:4 15.55 -8.79 C:12 15.55 -12.38 C:15 20.17 -10.15 C:1 18.84 -10.59 C:14 18.00 -11.75 C:7 11.88 -9.23 C:2 18.00 -9.41 C:8 12.32 -10.59 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 9 1 7 18 2 8 17 2 8 23 1 9 13 1 10 11 1 10 17 1 11 22 1 12 15 1 12 19 1 13 24 1 14 18 1 14 21 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 21 1 20 23 1 22 24 1', '24 26 H 17.38 -8.68 C 15.84 -7.37 C 15.84 -13.78 C 21.29 -10.97 C 13.75 -10.59 O 18.48 -13.07 C 14.19 -11.95 C 16.62 -9.72 C 13.05 -12.79 C 14.19 -9.23 C 13.05 -8.40 C 20.17 -8.79 C 11.88 -11.95 C 16.62 -11.44 O 18.84 -8.31 O 10.94 -10.27 C 15.55 -8.79 C 15.55 -12.38 C 20.17 -10.15 C 18.84 -10.59 C 18.00 -11.75 C 11.88 -9.23 C 18.00 -9.41 C 12.32 -10.59 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 9 1 7 18 2 8 17 2 8 23 1 9 13 1 10 11 1 10 17 1 11 22 1 12 15 1 12 19 1 13 24 1 14 18 1 14 21 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 21 1 20 23 1 22 24 1', '24 26 H 17.38 -8.68 C:16 15.84 -7.37 C:17 15.84 -13.78 C:11 21.29 -10.97 C:18 13.75 -10.59 O 18.48 -13.07 C:128 14.19 -11.95 C:126 16.62 -9.72 C:23 13.05 -12.79 C:37 14.19 -9.23 C:26 13.05 -8.40 C:79 20.17 -8.79 C:36 11.88 -11.95 C:46 16.62 -11.44 O 18.84 -8.31 O 10.94 -10.27 C:139 15.55 -8.79 C:128 15.55 -12.38 C:131 20.17 -10.15 C:137 18.84 -10.59 C:66 18.00 -11.75 C:61 11.88 -9.23 C:84 18.00 -9.41 C:61 12.32 -10.59 23 1 -2 2 17 1 3 18 1 4 19 1 5 24 1 21 6 -1 7 9 1 7 18 2 8 17 2 8 23 1 9 13 1 10 11 1 10 17 1 11 22 1 12 15 1 12 19 1 13 24 1 14 18 1 14 21 1 15 23 1 22 16 -1 24 16 -1 19 20 2 20 21 1 20 23 1 22 24 1', 'C20H30O3', 318.22, 'C', 'np06_1010_9', 4224, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16912, '', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:10]12[CH:11]=[C:12]([C:20](=O)O1)[C@:13]3([H])[CH2:14][C@@H:1]([C:15](=[CH2:16])[CH3:17])[CH2:2][C:3](=[C:4]([C:18](=O)O[CH3:18001])[C@@H:5](O[CH:5001]([CH3:5101])[CH2:5002][CH3:5003])[C:6](=O)[CH:7]=[C:8]([CH3:19])[CH2:9]2)O3', '[H][C@@]12C=C(C(=O)O1)[C@]3([H])C[C@@H](C(=C)C)CC(=C(C(=O)OC)[C@@H](OC(C)CC)C(=O)C=C(C)C2)O3', '[H][C@@:79]12[CH:159]=[C:129]([C:170](=O)O1)[C@:73]3([H])[CH2:29][C@@H:35]([C:148](=[CH2:110])[CH3:21])[CH2:32][C:169](=[C:109]([C:169](=O)O[CH3:52])[C@@H:81](O[CH:77]([CH3:20])[CH2:30][CH3:10])[C:198](=O)[CH:124]=[C:149]([CH3:30])[CH2:36]2)O3', '34 36 H 14.12 -14.02 H 18.87 -13.52 C:16 22.62 -12.71 C:5003 11.90 -6.60 C:18001 20.42 -6.47 C:17 22.62 -10.19 C:19 11.90 -11.43 C:5101 13.33 -8.99 O 16.09 -11.23 O 17.68 -6.47 O 17.51 -16.33 C:7 14.05 -10.19 C:11 16.29 -12.77 C:5002 13.33 -6.60 C:2 19.75 -10.19 C:9 13.84 -12.77 C:14 19.75 -12.65 O 19.75 -7.70 O 15.49 -7.78 O 15.37 -14.95 O 17.60 -11.43 C:15 21.91 -11.43 C:8 13.33 -11.43 C:6 15.49 -10.19 C:18 18.34 -7.70 C:20 16.79 -15.09 C:3 18.34 -10.19 C:12 17.36 -13.74 C:4 17.60 -8.99 C:5001 14.05 -7.78 C:1 20.48 -11.43 C:5 16.18 -8.99 C:10 15.03 -13.52 C:13 18.34 -12.65 33 1 -1 34 2 -2 3 22 2 4 14 1 5 18 1 6 22 1 7 23 1 8 30 1 9 24 2 10 25 2 11 26 2 12 23 2 12 24 1 13 28 2 13 33 1 14 30 1 15 27 1 15 31 1 16 23 1 16 33 1 17 31 1 17 34 1 18 25 1 19 30 1 32 19 -2 20 26 1 20 33 1 21 27 1 21 34 1 31 22 -2 24 32 1 25 29 1 26 28 1 27 29 2 28 34 1 29 32 1', '34 36 H 14.12 -14.02 H 18.87 -13.52 C 22.62 -12.71 C 11.90 -6.60 C 20.42 -6.47 C 22.62 -10.19 C 11.90 -11.43 C 13.33 -8.99 O 16.09 -11.23 O 17.68 -6.47 O 17.51 -16.33 C 14.05 -10.19 C 16.29 -12.77 C 13.33 -6.60 C 19.75 -10.19 C 13.84 -12.77 C 19.75 -12.65 O 19.75 -7.70 O 15.49 -7.78 O 15.37 -14.95 O 17.60 -11.43 C 21.91 -11.43 C 13.33 -11.43 C 15.49 -10.19 C 18.34 -7.70 C 16.79 -15.09 C 18.34 -10.19 C 17.36 -13.74 C 17.60 -8.99 C 14.05 -7.78 C 20.48 -11.43 C 16.18 -8.99 C 15.03 -13.52 C 18.34 -12.65 33 1 -1 34 2 -2 3 22 2 4 14 1 5 18 1 6 22 1 7 23 1 8 30 1 9 24 2 10 25 2 11 26 2 12 23 2 12 24 1 13 28 2 13 33 1 14 30 1 15 27 1 15 31 1 16 23 1 16 33 1 17 31 1 17 34 1 18 25 1 19 30 1 32 19 -2 20 26 1 20 33 1 21 27 1 21 34 1 31 22 -2 24 32 1 25 29 1 26 28 1 27 29 2 28 34 1 29 32 1', '34 36 H 14.12 -14.02 H 18.87 -13.52 C:110 22.62 -12.71 C:10 11.90 -6.60 C:52 20.42 -6.47 C:21 22.62 -10.19 C:30 11.90 -11.43 C:20 13.33 -8.99 O 16.09 -11.23 O 17.68 -6.47 O 17.51 -16.33 C:124 14.05 -10.19 C:159 16.29 -12.77 C:30 13.33 -6.60 C:32 19.75 -10.19 C:36 13.84 -12.77 C:29 19.75 -12.65 O 19.75 -7.70 O 15.49 -7.78 O 15.37 -14.95 O 17.60 -11.43 C:148 21.91 -11.43 C:149 13.33 -11.43 C:198 15.49 -10.19 C:169 18.34 -7.70 C:170 16.79 -15.09 C:169 18.34 -10.19 C:129 17.36 -13.74 C:109 17.60 -8.99 C:77 14.05 -7.78 C:35 20.48 -11.43 C:81 16.18 -8.99 C:79 15.03 -13.52 C:73 18.34 -12.65 33 1 -1 34 2 -2 3 22 2 4 14 1 5 18 1 6 22 1 7 23 1 8 30 1 9 24 2 10 25 2 11 26 2 12 23 2 12 24 1 13 28 2 13 33 1 14 30 1 15 27 1 15 31 1 16 23 1 16 33 1 17 31 1 17 34 1 18 25 1 19 30 1 32 19 -2 20 26 1 20 33 1 21 27 1 21 34 1 31 22 -2 24 32 1 25 29 1 26 28 1 27 29 2 28 34 1 29 32 1', 'C25H32O7', 444.279, 'B', 'np07_1223_3', 4227, '', '', '1', 47, NULL, NULL),
(16913, '', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:16]=[C:15]([CH3:17])[C@H:1]1[CH2:14][CH:13]=[C:12]3[C:20](=O)O[C@H:10]([CH2:9][C:8]([CH3:19])(O)[CH:7]=[C:6]2[CH:5]=[C:4]([C:18](=O)O[CH3:18001])[C:3](O[CH3:3001])([CH2:2]1)O2)[C@H:11]3O[C:11001]([CH3:11002])=O', 'C=C(C)[C@H]1CC=C3C(=O)O[C@H](CC(C)(O)C=C2C=C(C(=O)OC)C(OC)(C1)O2)[C@H]3OC(C)=O', '[CH2:113]=[C:148]([CH3:19])[C@H:41]1[CH2:33][CH:148]=[C:128]3[C:168](=O)O[C@H:79]([CH2:41][C:71]([CH3:31])(O)[CH:118]=[C:151]2[CH:140]=[C:132]([C:162](=O)O[CH3:51])[C:117](O[CH3:50])([CH2:39]1)O2)[C@H:77]3O[C:170]([CH3:21])=O', '33 35 C:16 21.39 -10.79 C:18001 19.79 -5.73 C:3001 19.79 -9.28 C:17 20.69 -13.10 C:11002 18.01 -10.16 C:19 15.86 -11.70 O 15.68 -10.79 O 17.04 -5.73 O 16.81 -17.07 O 13.06 -11.70 C:13 18.29 -13.79 C:5 15.59 -8.23 C:7 14.00 -10.35 C:14 18.01 -12.33 C:2 18.72 -9.96 C:9 14.00 -13.03 O 19.10 -6.96 O 18.52 -8.72 O 15.05 -15.30 O 17.38 -12.50 O 16.27 -10.35 C:15 20.37 -11.70 C:11001 17.04 -11.15 C:18 17.70 -6.96 C:20 16.40 -15.75 C:6 15.15 -9.53 C:12 17.20 -14.60 C:4 16.98 -8.23 C:1 19.03 -11.30 C:10 15.05 -13.93 C:11 16.40 -13.48 C:8 14.46 -11.70 C:3 17.38 -9.53 1 22 2 2 17 1 3 18 1 4 22 1 5 23 1 6 32 1 7 23 2 8 24 2 9 25 2 10 32 1 11 14 1 11 27 2 12 26 1 12 28 2 13 26 2 13 32 1 14 29 1 15 29 1 15 33 1 16 30 1 16 32 1 17 24 1 18 33 1 19 25 1 30 19 -2 20 23 1 31 20 -1 21 26 1 21 33 1 29 22 -1 24 28 1 25 27 1 27 31 1 28 33 1 30 31 1', '33 35 C 21.39 -10.79 C 19.79 -5.73 C 19.79 -9.28 C 20.69 -13.10 C 18.01 -10.16 C 15.86 -11.70 O 15.68 -10.79 O 17.04 -5.73 O 16.81 -17.07 O 13.06 -11.70 C 18.29 -13.79 C 15.59 -8.23 C 14.00 -10.35 C 18.01 -12.33 C 18.72 -9.96 C 14.00 -13.03 O 19.10 -6.96 O 18.52 -8.72 O 15.05 -15.30 O 17.38 -12.50 O 16.27 -10.35 C 20.37 -11.70 C 17.04 -11.15 C 17.70 -6.96 C 16.40 -15.75 C 15.15 -9.53 C 17.20 -14.60 C 16.98 -8.23 C 19.03 -11.30 C 15.05 -13.93 C 16.40 -13.48 C 14.46 -11.70 C 17.38 -9.53 1 22 2 2 17 1 3 18 1 4 22 1 5 23 1 6 32 1 7 23 2 8 24 2 9 25 2 10 32 1 11 14 1 11 27 2 12 26 1 12 28 2 13 26 2 13 32 1 14 29 1 15 29 1 15 33 1 16 30 1 16 32 1 17 24 1 18 33 1 19 25 1 30 19 -2 20 23 1 31 20 -1 21 26 1 21 33 1 29 22 -1 24 28 1 25 27 1 27 31 1 28 33 1 30 31 1', '33 35 C:113 21.39 -10.79 C:51 19.79 -5.73 C:50 19.79 -9.28 C:19 20.69 -13.10 C:21 18.01 -10.16 C:31 15.86 -11.70 O 15.68 -10.79 O 17.04 -5.73 O 16.81 -17.07 O 13.06 -11.70 C:148 18.29 -13.79 C:140 15.59 -8.23 C:118 14.00 -10.35 C:33 18.01 -12.33 C:39 18.72 -9.96 C:41 14.00 -13.03 O 19.10 -6.96 O 18.52 -8.72 O 15.05 -15.30 O 17.38 -12.50 O 16.27 -10.35 C:148 20.37 -11.70 C:170 17.04 -11.15 C:162 17.70 -6.96 C:168 16.40 -15.75 C:151 15.15 -9.53 C:128 17.20 -14.60 C:132 16.98 -8.23 C:41 19.03 -11.30 C:79 15.05 -13.93 C:77 16.40 -13.48 C:71 14.46 -11.70 C:117 17.38 -9.53 1 22 2 2 17 1 3 18 1 4 22 1 5 23 1 6 32 1 7 23 2 8 24 2 9 25 2 10 32 1 11 14 1 11 27 2 12 26 1 12 28 2 13 26 2 13 32 1 14 29 1 15 29 1 15 33 1 16 30 1 16 32 1 17 24 1 18 33 1 19 25 1 30 19 -2 20 23 1 31 20 -1 21 26 1 21 33 1 29 22 -1 24 28 1 25 27 1 27 31 1 28 33 1 30 31 1', 'C24H30O9', 462.251, 'B', 'np07_1223_4', 4227, '', '', '1', 47, NULL, NULL),
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(16924, 'Gibberosene B', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:13002][C:13001](=O)O[C@@H:13]2[CH2:14][C:1]([CH:15]([CH3:16])[CH3:17])=[CH:2][CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][CH2:10][C@H:11]1O[C@:12]12[CH3:20]', 'CC(=O)O[C@@H]2CC(C(C)C)=CC=C(C)CCC=C(C)CC[C@H]1O[C@]12C', '[CH3:21][C:171](=O)O[C@@H:74]2[CH2:30][C:142]([CH:33]([CH3:23])[CH3:22])=[CH:120][CH:122]=[C:137]([CH3:17])[CH2:40][CH2:26][CH:127]=[C:134]([CH3:15])[CH2:37][CH2:24][C@H:58]1O[C@:61]12[CH3:16]', '25 26 C:13002 14.33 -15.46 C:18 16.74 -9.86 C:19 14.33 -5.66 C:16 16.74 -14.06 C:17 19.18 -14.06 C:20 13.12 -11.96 O 13.12 -13.36 C:3 19.18 -9.86 C:2 19.18 -11.27 C:7 15.54 -7.76 C:6 16.74 -7.06 C:5 17.96 -7.76 C:9 13.12 -7.76 C:10 13.12 -9.16 C:14 16.74 -11.27 O 15.54 -13.36 O 13.12 -10.57 C:13001 14.33 -14.06 C:4 17.96 -9.16 C:8 14.33 -7.06 C:1 17.96 -11.96 C:15 17.96 -13.36 C:11 14.33 -9.86 C:13 15.54 -11.96 C:12 14.33 -11.27 1 18 1 2 19 1 3 20 1 4 22 1 5 22 1 25 6 -1 7 18 2 8 9 1 8 19 2 9 21 2 10 11 1 10 20 2 11 12 1 12 19 1 13 14 1 13 20 1 14 23 1 15 21 1 15 24 1 16 18 1 24 16 -1 23 17 -2 17 25 1 21 22 1 23 25 1 24 25 1', '25 26 C 14.33 -15.46 C 16.74 -9.86 C 14.33 -5.66 C 16.74 -14.06 C 19.18 -14.06 C 13.12 -11.96 O 13.12 -13.36 C 19.18 -9.86 C 19.18 -11.27 C 15.54 -7.76 C 16.74 -7.06 C 17.96 -7.76 C 13.12 -7.76 C 13.12 -9.16 C 16.74 -11.27 O 15.54 -13.36 O 13.12 -10.57 C 14.33 -14.06 C 17.96 -9.16 C 14.33 -7.06 C 17.96 -11.96 C 17.96 -13.36 C 14.33 -9.86 C 15.54 -11.96 C 14.33 -11.27 1 18 1 2 19 1 3 20 1 4 22 1 5 22 1 25 6 -1 7 18 2 8 9 1 8 19 2 9 21 2 10 11 1 10 20 2 11 12 1 12 19 1 13 14 1 13 20 1 14 23 1 15 21 1 15 24 1 16 18 1 24 16 -1 23 17 -2 17 25 1 21 22 1 23 25 1 24 25 1', '25 26 C:21 14.33 -15.46 C:17 16.74 -9.86 C:15 14.33 -5.66 C:23 16.74 -14.06 C:22 19.18 -14.06 C:16 13.12 -11.96 O 13.12 -13.36 C:122 19.18 -9.86 C:120 19.18 -11.27 C:127 15.54 -7.76 C:26 16.74 -7.06 C:40 17.96 -7.76 C:37 13.12 -7.76 C:24 13.12 -9.16 C:30 16.74 -11.27 O 15.54 -13.36 O 13.12 -10.57 C:171 14.33 -14.06 C:137 17.96 -9.16 C:134 14.33 -7.06 C:142 17.96 -11.96 C:33 17.96 -13.36 C:58 14.33 -9.86 C:74 15.54 -11.96 C:61 14.33 -11.27 1 18 1 2 19 1 3 20 1 4 22 1 5 22 1 25 6 -1 7 18 2 8 9 1 8 19 2 9 21 2 10 11 1 10 20 2 11 12 1 12 19 1 13 14 1 13 20 1 14 23 1 15 21 1 15 24 1 16 18 1 24 16 -1 23 17 -2 17 25 1 21 22 1 23 25 1 24 25 1', 'C22H34O3', 346.234, 'C', 'np08_179_3', 4229, '', '', '1', 47, NULL, NULL),
(16925, 'Gibberosene C', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]3=[CH:7][CH2:6][CH2:5][C@:4]1([CH3:18])O[C@@H:3]1[CH:2]=[C:1]([CH:15]([CH3:16])[CH3:17])[CH2:14][C@@H:13](O)[C@:12]2([CH3:20])O[C@@H:11]2[CH2:10][CH2:9]3', 'CC3=CCC[C@]1(C)O[C@@H]1C=C(C(C)C)C[C@@H](O)[C@]2(C)O[C@@H]2CC3', '[CH3:15][C:134]3=[CH:126][CH2:23][CH2:37][C@:61]1([CH3:18])O[C@@H:61]1[CH:123]=[C:146]([CH:33]([CH3:23])[CH3:22])[CH2:35][C@@H:69](O)[C@:64]2([CH3:15])O[C@@H:57]2[CH2:24][CH2:37]3', '23 25 C:19 14.29 -6.40 C:16 16.71 -14.80 C:17 19.14 -14.80 C:18 16.71 -10.60 C:20 13.08 -12.70 O 15.50 -14.10 C:7 15.50 -8.50 C:2 19.14 -12.00 C:6 16.71 -7.80 C:9 13.08 -8.50 C:10 13.08 -9.90 C:5 17.92 -8.50 C:14 16.71 -12.00 O 19.14 -9.20 O 13.08 -11.30 C:8 14.29 -7.80 C:1 17.92 -12.70 C:15 17.92 -14.10 C:13 15.50 -12.70 C:3 19.14 -10.60 C:11 14.29 -10.60 C:4 17.92 -9.90 C:12 14.29 -12.00 1 16 1 2 18 1 3 18 1 22 4 -1 23 5 -1 19 6 -1 7 9 1 7 16 2 8 17 2 8 20 1 9 12 1 10 11 1 10 16 1 11 21 1 12 22 1 13 17 1 13 19 1 20 14 -2 14 22 1 21 15 -2 15 23 1 17 18 1 19 23 1 20 22 1 21 23 1', '23 25 C 14.29 -6.40 C 16.71 -14.80 C 19.14 -14.80 C 16.71 -10.60 C 13.08 -12.70 O 15.50 -14.10 C 15.50 -8.50 C 19.14 -12.00 C 16.71 -7.80 C 13.08 -8.50 C 13.08 -9.90 C 17.92 -8.50 C 16.71 -12.00 O 19.14 -9.20 O 13.08 -11.30 C 14.29 -7.80 C 17.92 -12.70 C 17.92 -14.10 C 15.50 -12.70 C 19.14 -10.60 C 14.29 -10.60 C 17.92 -9.90 C 14.29 -12.00 1 16 1 2 18 1 3 18 1 22 4 -1 23 5 -1 19 6 -1 7 9 1 7 16 2 8 17 2 8 20 1 9 12 1 10 11 1 10 16 1 11 21 1 12 22 1 13 17 1 13 19 1 20 14 -2 14 22 1 21 15 -2 15 23 1 17 18 1 19 23 1 20 22 1 21 23 1', '23 25 C:15 14.29 -6.40 C:23 16.71 -14.80 C:22 19.14 -14.80 C:18 16.71 -10.60 C:15 13.08 -12.70 O 15.50 -14.10 C:126 15.50 -8.50 C:123 19.14 -12.00 C:23 16.71 -7.80 C:37 13.08 -8.50 C:24 13.08 -9.90 C:37 17.92 -8.50 C:35 16.71 -12.00 O 19.14 -9.20 O 13.08 -11.30 C:134 14.29 -7.80 C:146 17.92 -12.70 C:33 17.92 -14.10 C:69 15.50 -12.70 C:61 19.14 -10.60 C:57 14.29 -10.60 C:61 17.92 -9.90 C:64 14.29 -12.00 1 16 1 2 18 1 3 18 1 22 4 -1 23 5 -1 19 6 -1 7 9 1 7 16 2 8 17 2 8 20 1 9 12 1 10 11 1 10 16 1 11 21 1 12 22 1 13 17 1 13 19 1 20 14 -2 14 22 1 21 15 -2 15 23 1 17 18 1 19 23 1 20 22 1 21 23 1', 'C20H32O3', 320.212, 'C', 'np08_179_4', 4229, '', '', '1', 47, NULL, NULL),
(16926, 'Gibberosene D', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:13002][C:13001](=O)O[C@@H:13]1[CH:14]=[C:1]([CH:15]([CH3:16])[CH3:17])[CH:2]=[CH:3][C@@:4]([CH3:18])(O)[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][CH2:10][C@H:11]2O[C@@:12]12[CH3:20]', 'CC(=O)O[C@@H]1C=C(C(C)C)C=C[C@@](C)(O)CCC=C(C)CC[C@H]2O[C@@]12C', '[CH3:22][C:171](=O)O[C@@H:74]1[CH:118]=[C:149]([CH:34]([CH3:22])[CH3:22])[CH:123]=[CH:142][C@@:74]([CH3:28])(O)[CH2:42][CH2:24][CH:130]=[C:132]([CH3:15])[CH2:37][CH2:24][C@H:61]2O[C@@:63]12[CH3:15]', '26 27 C:13002 18.32 -14.10 C:19 13.52 -10.14 C:16 20.62 -8.92 C:17 20.62 -11.36 C:18 14.84 -7.04 C:20 15.58 -13.29 O 19.01 -11.77 O 16.21 -7.32 C:2 17.67 -9.00 C:3 16.33 -9.30 C:7 11.68 -8.80 C:14 17.67 -11.28 C:6 12.81 -7.98 C:9 11.68 -11.48 C:10 12.81 -12.30 C:5 13.95 -8.80 O 16.65 -12.30 O 14.23 -12.84 C:13001 17.99 -12.74 C:8 12.11 -10.14 C:1 18.50 -10.14 C:15 19.91 -10.14 C:13 16.33 -10.98 C:11 13.95 -11.48 C:4 15.28 -8.37 C:12 15.28 -11.91 1 19 1 2 20 1 3 22 1 4 22 1 25 5 -1 26 6 -1 7 19 2 25 8 -2 9 10 2 9 21 1 10 25 1 11 13 1 11 20 2 12 21 2 12 23 1 13 16 1 14 15 1 14 20 1 15 24 1 16 25 1 17 19 1 23 17 -1 24 18 -2 18 26 1 21 22 1 23 26 1 24 26 1', '26 27 C 18.32 -14.10 C 13.52 -10.14 C 20.62 -8.92 C 20.62 -11.36 C 14.84 -7.04 C 15.58 -13.29 O 19.01 -11.77 O 16.21 -7.32 C 17.67 -9.00 C 16.33 -9.30 C 11.68 -8.80 C 17.67 -11.28 C 12.81 -7.98 C 11.68 -11.48 C 12.81 -12.30 C 13.95 -8.80 O 16.65 -12.30 O 14.23 -12.84 C 17.99 -12.74 C 12.11 -10.14 C 18.50 -10.14 C 19.91 -10.14 C 16.33 -10.98 C 13.95 -11.48 C 15.28 -8.37 C 15.28 -11.91 1 19 1 2 20 1 3 22 1 4 22 1 25 5 -1 26 6 -1 7 19 2 25 8 -2 9 10 2 9 21 1 10 25 1 11 13 1 11 20 2 12 21 2 12 23 1 13 16 1 14 15 1 14 20 1 15 24 1 16 25 1 17 19 1 23 17 -1 24 18 -2 18 26 1 21 22 1 23 26 1 24 26 1', '26 27 C:22 18.32 -14.10 C:15 13.52 -10.14 C:22 20.62 -8.92 C:22 20.62 -11.36 C:28 14.84 -7.04 C:15 15.58 -13.29 O 19.01 -11.77 O 16.21 -7.32 C:123 17.67 -9.00 C:142 16.33 -9.30 C:130 11.68 -8.80 C:118 17.67 -11.28 C:24 12.81 -7.98 C:37 11.68 -11.48 C:24 12.81 -12.30 C:42 13.95 -8.80 O 16.65 -12.30 O 14.23 -12.84 C:171 17.99 -12.74 C:132 12.11 -10.14 C:149 18.50 -10.14 C:34 19.91 -10.14 C:74 16.33 -10.98 C:61 13.95 -11.48 C:74 15.28 -8.37 C:63 15.28 -11.91 1 19 1 2 20 1 3 22 1 4 22 1 25 5 -1 26 6 -1 7 19 2 25 8 -2 9 10 2 9 21 1 10 25 1 11 13 1 11 20 2 12 21 2 12 23 1 13 16 1 14 15 1 14 20 1 15 24 1 16 25 1 17 19 1 23 17 -1 24 18 -2 18 26 1 21 22 1 23 26 1 24 26 1', 'C22H34O4', 362.233, 'C', 'np08_179_5', 4229, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16927, 'Gibberosene E', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:13002][C:13001](=O)O[C@H:13]1[C:12]([CH3:20])=[CH:11][CH2:10][C@H:9](O)[C:8]([CH3:19])=[CH:7][CH2:6][CH2:5][C:4]([CH3:18])=[CH:3][CH:2]=[C:1]([CH:15]([CH3:17])[CH3:16])[C@@H:14]1O[C:14001]([CH3:14002])=O', 'CC(=O)O[C@H]1C(C)=CC[C@H](O)C(C)=CCCC(C)=CC=C(C(C)C)[C@@H]1OC(C)=O', '[CH3:21][C:170](=O)O[C@H:77]1[C:133]([CH3:16])=[CH:124][CH2:32][C@H:75](O)[C:137]([CH3:13])=[CH:124][CH2:25][CH2:40][C:138]([CH3:16])=[CH:122][CH:124]=[C:139]([CH:30]([CH3:24])[CH3:25])[C@@H:73]1O[C:171]([CH3:21])=O', '29 29 C:13002 14.79 -15.90 C:14002 18.56 -16.11 C:18 18.42 -10.98 C:19 16.00 -6.79 C:20 14.79 -13.09 C:17 20.86 -15.19 C:16 18.42 -15.19 O 17.21 -15.90 O 16.67 -14.58 O 13.61 -8.19 C:3 20.86 -10.98 C:2 20.86 -12.40 C:7 17.21 -8.88 C:11 16.00 -10.98 C:6 18.42 -8.19 C:10 14.79 -10.28 C:5 19.64 -8.88 O 16.00 -13.79 O 18.93 -13.71 C:13001 16.00 -15.19 C:14001 18.04 -14.80 C:4 19.64 -10.28 C:8 16.00 -8.19 C:12 16.00 -12.40 C:1 19.64 -13.09 C:15 19.64 -14.51 C:9 14.79 -8.88 C:13 17.21 -13.09 C:14 18.42 -12.40 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 23 2 14 16 1 14 24 2 15 17 1 16 27 1 17 22 1 18 20 1 28 18 -1 19 21 1 29 19 -2 23 27 1 24 28 1 25 26 1 25 29 1 28 29 1', '29 29 C 14.79 -15.90 C 18.56 -16.11 C 18.42 -10.98 C 16.00 -6.79 C 14.79 -13.09 C 20.86 -15.19 C 18.42 -15.19 O 17.21 -15.90 O 16.67 -14.58 O 13.61 -8.19 C 20.86 -10.98 C 20.86 -12.40 C 17.21 -8.88 C 16.00 -10.98 C 18.42 -8.19 C 14.79 -10.28 C 19.64 -8.88 O 16.00 -13.79 O 18.93 -13.71 C 16.00 -15.19 C 18.04 -14.80 C 19.64 -10.28 C 16.00 -8.19 C 16.00 -12.40 C 19.64 -13.09 C 19.64 -14.51 C 14.79 -8.88 C 17.21 -13.09 C 18.42 -12.40 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 23 2 14 16 1 14 24 2 15 17 1 16 27 1 17 22 1 18 20 1 28 18 -1 19 21 1 29 19 -2 23 27 1 24 28 1 25 26 1 25 29 1 28 29 1', '29 29 C:21 14.79 -15.90 C:21 18.56 -16.11 C:16 18.42 -10.98 C:13 16.00 -6.79 C:16 14.79 -13.09 C:24 20.86 -15.19 C:25 18.42 -15.19 O 17.21 -15.90 O 16.67 -14.58 O 13.61 -8.19 C:122 20.86 -10.98 C:124 20.86 -12.40 C:124 17.21 -8.88 C:124 16.00 -10.98 C:25 18.42 -8.19 C:32 14.79 -10.28 C:40 19.64 -8.88 O 16.00 -13.79 O 18.93 -13.71 C:170 16.00 -15.19 C:171 18.04 -14.80 C:138 19.64 -10.28 C:137 16.00 -8.19 C:133 16.00 -12.40 C:139 19.64 -13.09 C:30 19.64 -14.51 C:75 14.79 -8.88 C:77 17.21 -13.09 C:73 18.42 -12.40 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 23 2 14 16 1 14 24 2 15 17 1 16 27 1 17 22 1 18 20 1 28 18 -1 19 21 1 29 19 -2 23 27 1 24 28 1 25 26 1 25 29 1 28 29 1', 'C24H36O5', 404.254, 'C', 'np08_179_6', 4229, '', '', '1', 47, NULL, NULL),
(16928, 'Gibberosene F', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:13002][C:13001](=O)O[C@H:13]1[C:12]([CH3:20])=[CH:11][CH2:10][CH2:9][C:8]([CH3:19])=[CH:7][C@H:6](O)[CH2:5][C:4]([CH3:18])=[CH:3][CH:2]=[C:1]([CH:15]([CH3:16])[CH3:17])[C@@H:14]1O[C:14001]([CH3:14002])=O', 'CC(=O)O[C@H]1C(C)=CCCC(C)=C[C@H](O)CC(C)=CC=C(C(C)C)[C@@H]1OC(C)=O', '[CH3:21][C:170](=O)O[C@H:76]1[C:131]([CH3:18])=[CH:129][CH2:25][CH2:39][C:137]([CH3:16])=[CH:129][C@H:68](O)[CH2:49][C:135]([CH3:17])=[CH:124][CH:124]=[C:139]([CH:29]([CH3:26])[CH3:23])[C@@H:73]1O[C:171]([CH3:21])=O', '29 29 C:13002 14.21 -15.88 C:14002 17.98 -16.08 C:18 17.84 -10.96 C:19 15.42 -6.78 C:20 14.21 -13.07 C:16 17.84 -15.17 C:17 20.28 -15.17 O 16.62 -15.88 O 16.08 -14.56 O 17.84 -6.78 C:3 20.28 -10.96 C:2 20.28 -12.38 C:11 15.42 -10.96 C:7 16.62 -8.86 C:10 14.21 -10.26 C:9 14.21 -8.86 C:5 19.06 -8.86 O 15.42 -13.77 O 18.35 -13.69 C:13001 15.42 -15.17 C:14001 17.46 -14.78 C:4 19.06 -10.26 C:8 15.42 -8.18 C:12 15.42 -12.38 C:1 19.06 -13.07 C:15 19.06 -14.49 C:6 17.84 -8.18 C:13 16.62 -13.07 C:14 17.84 -12.38 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 24 2 14 23 2 14 27 1 15 16 1 16 23 1 17 22 1 17 27 1 18 20 1 28 18 -1 19 21 1 29 19 -2 24 28 1 25 26 1 25 29 1 28 29 1', '29 29 C 14.21 -15.88 C 17.98 -16.08 C 17.84 -10.96 C 15.42 -6.78 C 14.21 -13.07 C 17.84 -15.17 C 20.28 -15.17 O 16.62 -15.88 O 16.08 -14.56 O 17.84 -6.78 C 20.28 -10.96 C 20.28 -12.38 C 15.42 -10.96 C 16.62 -8.86 C 14.21 -10.26 C 14.21 -8.86 C 19.06 -8.86 O 15.42 -13.77 O 18.35 -13.69 C 15.42 -15.17 C 17.46 -14.78 C 19.06 -10.26 C 15.42 -8.18 C 15.42 -12.38 C 19.06 -13.07 C 19.06 -14.49 C 17.84 -8.18 C 16.62 -13.07 C 17.84 -12.38 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 24 2 14 23 2 14 27 1 15 16 1 16 23 1 17 22 1 17 27 1 18 20 1 28 18 -1 19 21 1 29 19 -2 24 28 1 25 26 1 25 29 1 28 29 1', '29 29 C:21 14.21 -15.88 C:21 17.98 -16.08 C:17 17.84 -10.96 C:16 15.42 -6.78 C:18 14.21 -13.07 C:26 17.84 -15.17 C:23 20.28 -15.17 O 16.62 -15.88 O 16.08 -14.56 O 17.84 -6.78 C:124 20.28 -10.96 C:124 20.28 -12.38 C:129 15.42 -10.96 C:129 16.62 -8.86 C:25 14.21 -10.26 C:39 14.21 -8.86 C:49 19.06 -8.86 O 15.42 -13.77 O 18.35 -13.69 C:170 15.42 -15.17 C:171 17.46 -14.78 C:135 19.06 -10.26 C:137 15.42 -8.18 C:131 15.42 -12.38 C:139 19.06 -13.07 C:29 19.06 -14.49 C:68 17.84 -8.18 C:76 16.62 -13.07 C:73 17.84 -12.38 1 20 1 2 21 1 3 22 1 4 23 1 5 24 1 6 26 1 7 26 1 8 20 2 9 21 2 27 10 -2 11 12 1 11 22 2 12 25 2 13 15 1 13 24 2 14 23 2 14 27 1 15 16 1 16 23 1 17 22 1 17 27 1 18 20 1 28 18 -1 19 21 1 29 19 -2 24 28 1 25 26 1 25 29 1 28 29 1', 'C24H36O5', 404.254, 'C', 'np08_179_7', 4229, '', '', '1', 47, NULL, NULL),
(16929, 'Gibberosene G', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:18][C:4]1=[CH:3][CH:2]=[C:1]([CH:15]([CH3:17])[CH3:16])[CH2:14][CH2:13][C:12]([CH3:20])=[CH:11][CH:10](O)[CH2:9][C:8]([CH3:19])=[CH:7][CH2:6][CH2:5]1', 'CC1=CC=C(C(C)C)CCC(C)=CC(O)CC(C)=CCC1', '[CH3:17][C:135]1=[CH:121][CH:119]=[C:147]([CH:34]([CH3:22])[CH3:23])[CH2:29][CH2:40][C:141]([CH3:17])=[CH:128][CH:67](O)[CH2:48][C:131]([CH3:17])=[CH:127][CH2:25][CH2:39]1', '21 21 C:18 17.34 -10.59 C:20 13.72 -12.69 C:19 14.93 -6.39 C:17 19.78 -14.79 C:16 17.34 -14.79 O 12.51 -10.59 C:3 19.78 -10.59 C:2 19.78 -12.01 C:7 16.13 -8.49 C:11 14.93 -10.59 C:6 17.34 -7.79 C:5 18.56 -8.49 C:13 16.13 -12.69 C:14 17.34 -12.01 C:9 13.72 -8.49 C:4 18.56 -9.89 C:12 14.93 -12.01 C:8 14.93 -7.79 C:1 18.56 -12.69 C:15 18.56 -14.11 C:10 13.72 -9.89 1 16 1 2 17 1 3 18 1 4 20 1 5 20 1 6 21 1 7 8 1 7 16 2 8 19 2 9 11 1 9 18 2 10 17 2 10 21 1 11 12 1 12 16 1 13 14 1 13 17 1 14 19 1 15 18 1 15 21 1 19 20 1', '21 21 C 17.34 -10.59 C 13.72 -12.69 C 14.93 -6.39 C 19.78 -14.79 C 17.34 -14.79 O 12.51 -10.59 C 19.78 -10.59 C 19.78 -12.01 C 16.13 -8.49 C 14.93 -10.59 C 17.34 -7.79 C 18.56 -8.49 C 16.13 -12.69 C 17.34 -12.01 C 13.72 -8.49 C 18.56 -9.89 C 14.93 -12.01 C 14.93 -7.79 C 18.56 -12.69 C 18.56 -14.11 C 13.72 -9.89 1 16 1 2 17 1 3 18 1 4 20 1 5 20 1 6 21 1 7 8 1 7 16 2 8 19 2 9 11 1 9 18 2 10 17 2 10 21 1 11 12 1 12 16 1 13 14 1 13 17 1 14 19 1 15 18 1 15 21 1 19 20 1', '21 21 C:17 17.34 -10.59 C:17 13.72 -12.69 C:17 14.93 -6.39 C:22 19.78 -14.79 C:23 17.34 -14.79 O 12.51 -10.59 C:121 19.78 -10.59 C:119 19.78 -12.01 C:127 16.13 -8.49 C:128 14.93 -10.59 C:25 17.34 -7.79 C:39 18.56 -8.49 C:40 16.13 -12.69 C:29 17.34 -12.01 C:48 13.72 -8.49 C:135 18.56 -9.89 C:141 14.93 -12.01 C:131 14.93 -7.79 C:147 18.56 -12.69 C:34 18.56 -14.11 C:67 13.72 -9.89 1 16 1 2 17 1 3 18 1 4 20 1 5 20 1 6 21 1 7 8 1 7 16 2 8 19 2 9 11 1 9 18 2 10 17 2 10 21 1 11 12 1 12 16 1 13 14 1 13 17 1 14 19 1 15 18 1 15 21 1 19 20 1', 'C20H32O', 288.213, 'C', 'np08_179_8', 4229, '', '', '1', 47, NULL, NULL),
(16930, 'Grandilobatin A', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:1001]O[C@@:1]1([C:15]([CH3:16])([CH3:17])O)[CH:2]=[CH:3][C@:4]([CH3:18])(O)[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][C:10](=O)[CH2:11][C@@H:12]([CH3:20])[CH2:13][CH2:14]1', 'CO[C@@]1(C(C)(C)O)C=C[C@](C)(O)CCC=C(C)CC(=O)C[C@@H](C)CC1', '[CH3:52]O[C@@:83]1([C:76]([CH3:25])([CH3:26])O)[CH:128]=[CH:141][C@:74]([CH3:29])(O)[CH2:44][CH2:23][CH:129]=[C:130]([CH3:18])[CH2:52][C:209](=O)[CH2:52][C@@H:32]([CH3:22])[CH2:32][CH2:30]1', '25 25 C:1001 15.63 -14.47 C:19 16.52 -7.04 C:20 12.92 -13.26 C:16 17.50 -15.67 C:17 19.79 -14.47 C:18 21.52 -10.09 O 16.52 -11.18 O 19.19 -15.78 O 20.82 -11.68 C:3 18.94 -11.18 C:2 18.94 -12.57 C:7 17.70 -9.11 C:6 18.94 -8.41 C:13 15.30 -13.26 C:5 20.12 -9.11 C:14 16.52 -12.57 C:9 15.30 -9.11 C:11 14.10 -11.18 O 17.02 -14.47 C:8 16.52 -8.41 C:10 15.30 -10.49 C:12 14.10 -12.57 C:15 18.41 -14.47 C:4 20.12 -10.49 C:1 17.70 -13.26 1 19 1 2 20 1 22 3 -2 4 23 1 5 23 1 24 6 -2 7 21 2 8 23 1 24 9 -1 10 11 2 10 24 1 11 25 1 12 13 1 12 20 2 13 15 1 14 16 1 14 22 1 15 24 1 16 25 1 17 20 1 17 21 1 18 21 1 18 22 1 25 19 -2 25 23 -1', '25 25 C 15.63 -14.47 C 16.52 -7.04 C 12.92 -13.26 C 17.50 -15.67 C 19.79 -14.47 C 21.52 -10.09 O 16.52 -11.18 O 19.19 -15.78 O 20.82 -11.68 C 18.94 -11.18 C 18.94 -12.57 C 17.70 -9.11 C 18.94 -8.41 C 15.30 -13.26 C 20.12 -9.11 C 16.52 -12.57 C 15.30 -9.11 C 14.10 -11.18 O 17.02 -14.47 C 16.52 -8.41 C 15.30 -10.49 C 14.10 -12.57 C 18.41 -14.47 C 20.12 -10.49 C 17.70 -13.26 1 19 1 2 20 1 22 3 -2 4 23 1 5 23 1 24 6 -2 7 21 2 8 23 1 24 9 -1 10 11 2 10 24 1 11 25 1 12 13 1 12 20 2 13 15 1 14 16 1 14 22 1 15 24 1 16 25 1 17 20 1 17 21 1 18 21 1 18 22 1 25 19 -2 25 23 -1', '25 25 C:52 15.63 -14.47 C:18 16.52 -7.04 C:22 12.92 -13.26 C:25 17.50 -15.67 C:26 19.79 -14.47 C:29 21.52 -10.09 O 16.52 -11.18 O 19.19 -15.78 O 20.82 -11.68 C:141 18.94 -11.18 C:128 18.94 -12.57 C:129 17.70 -9.11 C:23 18.94 -8.41 C:32 15.30 -13.26 C:44 20.12 -9.11 C:30 16.52 -12.57 C:52 15.30 -9.11 C:52 14.10 -11.18 O 17.02 -14.47 C:130 16.52 -8.41 C:209 15.30 -10.49 C:32 14.10 -12.57 C:76 18.41 -14.47 C:74 20.12 -10.49 C:83 17.70 -13.26 1 19 1 2 20 1 22 3 -2 4 23 1 5 23 1 24 6 -2 7 21 2 8 23 1 24 9 -1 10 11 2 10 24 1 11 25 1 12 13 1 12 20 2 13 15 1 14 16 1 14 22 1 15 24 1 16 25 1 17 20 1 17 21 1 18 21 1 18 22 1 25 19 -2 25 23 -1', 'C21H36O4', 352.222, 'C', 'np08_946_1', 4230, '', '', '1', 47, NULL, NULL),
(16931, 'Grandilobatin B', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]2=[CH:7][CH2:6][CH2:5][C@:4]1([CH3:18])O[C@@H:3]1[CH:2]=[C:1]([C:15]([CH3:17])([CH3:16])O)[CH2:14][CH2:13][C@H:12]([CH3:20])[CH2:11][C:10](=O)[CH2:9]2', 'CC2=CCC[C@]1(C)O[C@@H]1C=C(C(C)(C)O)CC[C@H](C)CC(=O)C2', '[CH3:17][C:130]2=[CH:130][CH2:23][CH2:38][C@:62]1([CH3:18])O[C@@H:59]1[CH:120]=[C:153]([C:74]([CH3:30])([CH3:30])O)[CH2:26][CH2:38][C@H:28]([CH3:21])[CH2:49][C:209](=O)[CH2:53]2', '23 24 C:19 14.90 -6.06 C:20 13.69 -12.36 C:17 19.74 -14.46 C:16 17.32 -14.46 C:18 17.32 -10.26 O 12.47 -10.26 O 18.52 -15.16 C:7 16.11 -8.16 C:2 19.74 -11.66 C:6 17.32 -7.46 C:14 17.32 -11.66 C:13 16.11 -12.36 C:5 18.52 -8.16 C:9 13.69 -8.16 C:11 14.90 -10.26 O 19.74 -8.86 C:8 14.90 -7.46 C:10 13.69 -9.56 C:1 18.52 -12.36 C:12 14.90 -11.66 C:3 19.74 -10.26 C:15 18.52 -13.76 C:4 18.52 -9.56 1 17 1 20 2 -2 3 22 1 4 22 1 23 5 -1 6 18 2 7 22 1 8 10 1 8 17 2 9 19 2 9 21 1 10 13 1 11 12 1 11 19 1 12 20 1 13 23 1 14 17 1 14 18 1 15 18 1 15 20 1 21 16 -2 16 23 1 19 22 1 21 23 1', '23 24 C 14.90 -6.06 C 13.69 -12.36 C 19.74 -14.46 C 17.32 -14.46 C 17.32 -10.26 O 12.47 -10.26 O 18.52 -15.16 C 16.11 -8.16 C 19.74 -11.66 C 17.32 -7.46 C 17.32 -11.66 C 16.11 -12.36 C 18.52 -8.16 C 13.69 -8.16 C 14.90 -10.26 O 19.74 -8.86 C 14.90 -7.46 C 13.69 -9.56 C 18.52 -12.36 C 14.90 -11.66 C 19.74 -10.26 C 18.52 -13.76 C 18.52 -9.56 1 17 1 20 2 -2 3 22 1 4 22 1 23 5 -1 6 18 2 7 22 1 8 10 1 8 17 2 9 19 2 9 21 1 10 13 1 11 12 1 11 19 1 12 20 1 13 23 1 14 17 1 14 18 1 15 18 1 15 20 1 21 16 -2 16 23 1 19 22 1 21 23 1', '23 24 C:17 14.90 -6.06 C:21 13.69 -12.36 C:30 19.74 -14.46 C:30 17.32 -14.46 C:18 17.32 -10.26 O 12.47 -10.26 O 18.52 -15.16 C:130 16.11 -8.16 C:120 19.74 -11.66 C:23 17.32 -7.46 C:26 17.32 -11.66 C:38 16.11 -12.36 C:38 18.52 -8.16 C:53 13.69 -8.16 C:49 14.90 -10.26 O 19.74 -8.86 C:130 14.90 -7.46 C:209 13.69 -9.56 C:153 18.52 -12.36 C:28 14.90 -11.66 C:59 19.74 -10.26 C:74 18.52 -13.76 C:62 18.52 -9.56 1 17 1 20 2 -2 3 22 1 4 22 1 23 5 -1 6 18 2 7 22 1 8 10 1 8 17 2 9 19 2 9 21 1 10 13 1 11 12 1 11 19 1 12 20 1 13 23 1 14 17 1 14 18 1 15 18 1 15 20 1 21 16 -2 16 23 1 19 22 1 21 23 1', 'C20H32O3', 320.212, 'C', 'np08_946_2', 4230, '', '', '1', 47, NULL, NULL),
(16932, 'Grandilobatin C', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]1=[CH:7][CH2:6][CH2:5][C:4](=O)[C@H:3]([CH3:18])[CH:2]=[C:1]([C:15]([CH3:17])([CH3:16])O)[CH2:14][CH2:13][C@H:12]([CH3:20])[CH2:11][C:10](=O)[CH2:9]1', 'CC1=CCCC(=O)[C@H](C)C=C(C(C)(C)O)CC[C@H](C)CC(=O)C1', '[CH3:18][C:131]1=[CH:128][CH2:24][CH2:40][C:213](=O)[C@H:48]([CH3:17])[CH:123]=[C:148]([C:74]([CH3:29])([CH3:29])O)[CH2:24][CH2:36][C@H:29]([CH3:19])[CH2:50][C:208](=O)[CH2:53]1', '23 23 C:19 15.42 -6.85 C:18 21.48 -10.35 C:20 14.21 -13.15 C:17 20.27 -15.25 C:16 17.85 -15.25 O 12.99 -11.05 O 17.85 -11.05 O 19.05 -15.96 C:7 16.64 -8.95 C:2 20.27 -12.45 C:6 17.85 -8.25 C:5 19.05 -8.95 C:14 17.85 -12.45 C:9 14.21 -8.95 C:13 16.64 -13.15 C:11 15.42 -11.05 C:8 15.42 -8.25 C:10 14.21 -10.35 C:4 19.05 -10.35 C:1 19.05 -13.15 C:3 20.27 -11.05 C:12 15.42 -12.45 C:15 19.05 -14.55 1 17 1 21 2 -2 22 3 -2 4 23 1 5 23 1 6 18 2 7 19 2 8 23 1 9 11 1 9 17 2 10 20 2 10 21 1 11 12 1 12 19 1 13 15 1 13 20 1 14 17 1 14 18 1 15 22 1 16 18 1 16 22 1 19 21 1 20 23 1', '23 23 C 15.42 -6.85 C 21.48 -10.35 C 14.21 -13.15 C 20.27 -15.25 C 17.85 -15.25 O 12.99 -11.05 O 17.85 -11.05 O 19.05 -15.96 C 16.64 -8.95 C 20.27 -12.45 C 17.85 -8.25 C 19.05 -8.95 C 17.85 -12.45 C 14.21 -8.95 C 16.64 -13.15 C 15.42 -11.05 C 15.42 -8.25 C 14.21 -10.35 C 19.05 -10.35 C 19.05 -13.15 C 20.27 -11.05 C 15.42 -12.45 C 19.05 -14.55 1 17 1 21 2 -2 22 3 -2 4 23 1 5 23 1 6 18 2 7 19 2 8 23 1 9 11 1 9 17 2 10 20 2 10 21 1 11 12 1 12 19 1 13 15 1 13 20 1 14 17 1 14 18 1 15 22 1 16 18 1 16 22 1 19 21 1 20 23 1', '23 23 C:18 15.42 -6.85 C:17 21.48 -10.35 C:19 14.21 -13.15 C:29 20.27 -15.25 C:29 17.85 -15.25 O 12.99 -11.05 O 17.85 -11.05 O 19.05 -15.96 C:128 16.64 -8.95 C:123 20.27 -12.45 C:24 17.85 -8.25 C:40 19.05 -8.95 C:24 17.85 -12.45 C:53 14.21 -8.95 C:36 16.64 -13.15 C:50 15.42 -11.05 C:131 15.42 -8.25 C:208 14.21 -10.35 C:213 19.05 -10.35 C:148 19.05 -13.15 C:48 20.27 -11.05 C:29 15.42 -12.45 C:74 19.05 -14.55 1 17 1 21 2 -2 22 3 -2 4 23 1 5 23 1 6 18 2 7 19 2 8 23 1 9 11 1 9 17 2 10 20 2 10 21 1 11 12 1 12 19 1 13 15 1 13 20 1 14 17 1 14 18 1 15 22 1 16 18 1 16 22 1 19 21 1 20 23 1', 'C20H32O3', 320.212, 'C', 'np08_946_3', 4230, '', '', '1', 47, NULL, NULL),
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(16944, 'Sinulaflexiolide E', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:17]=[C:15]([C:16](=O)O[CH3:16001])[C@@H:1]3[CH2:2][CH2:3][C@@:4]([CH3:18])(O)[C@@H:5]1[CH2:6][CH2:7][C@@:8]([CH3:19])(O1)[C@@H:9](O[C:9001]([CH3:9002])=O)[CH2:10][CH2:11][C@:12]2([CH3:20])O[C@H:13]2[CH2:14]3', 'C=C(C(=O)OC)[C@@H]3CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O1)[C@@H](OC(C)=O)CC[C@]2(C)O[C@H]2C3', '[CH2:125]=[C:143]([C:169](=O)O[CH3:52])[C@@H:38]3[CH2:27][CH2:36][C@@:74]([CH3:25])(O)[C@@H:88]1[CH2:27][CH2:36][C@@:84]([CH3:21])(O1)[C@@H:76](O[C:171]([CH3:21])=O)[CH2:25][CH2:35][C@:61]2([CH3:17])O[C@H:60]2[CH2:32]3', '30 32 C:17 22.88 -9.96 C:16001 22.88 -14.79 C:9002 10.28 -12.57 C:18 18.58 -8.39 C:19 13.03 -11.18 C:20 17.50 -14.39 O 11.85 -10.74 O 24.26 -12.36 O 17.19 -8.08 C:2 20.01 -10.06 C:10 15.22 -13.39 C:6 15.12 -9.02 C:3 18.68 -10.35 C:11 16.25 -12.41 C:7 13.96 -9.86 C:14 19.91 -12.36 O 22.17 -13.57 O 12.64 -13.03 O 15.78 -11.18 O 18.73 -13.57 C:9001 11.59 -12.12 C:15 22.17 -11.18 C:16 22.88 -12.36 C:1 20.73 -11.18 C:9 13.96 -12.57 C:5 16.25 -9.86 C:13 18.58 -12.17 C:4 17.61 -9.43 C:8 14.40 -11.18 C:12 17.50 -13.03 1 22 2 2 17 1 3 21 1 28 4 -1 29 5 -2 30 6 -2 7 21 2 8 23 2 28 9 -2 10 13 1 10 24 1 11 14 1 11 25 1 12 15 1 12 26 1 13 28 1 14 30 1 15 29 1 16 24 1 16 27 1 17 23 1 18 21 1 25 18 -2 26 19 -1 19 29 1 27 20 -2 20 30 1 22 23 1 24 22 -1 25 29 1 26 28 1 27 30 1', '30 32 C 22.88 -9.96 C 22.88 -14.79 C 10.28 -12.57 C 18.58 -8.39 C 13.03 -11.18 C 17.50 -14.39 O 11.85 -10.74 O 24.26 -12.36 O 17.19 -8.08 C 20.01 -10.06 C 15.22 -13.39 C 15.12 -9.02 C 18.68 -10.35 C 16.25 -12.41 C 13.96 -9.86 C 19.91 -12.36 O 22.17 -13.57 O 12.64 -13.03 O 15.78 -11.18 O 18.73 -13.57 C 11.59 -12.12 C 22.17 -11.18 C 22.88 -12.36 C 20.73 -11.18 C 13.96 -12.57 C 16.25 -9.86 C 18.58 -12.17 C 17.61 -9.43 C 14.40 -11.18 C 17.50 -13.03 1 22 2 2 17 1 3 21 1 28 4 -1 29 5 -2 30 6 -2 7 21 2 8 23 2 28 9 -2 10 13 1 10 24 1 11 14 1 11 25 1 12 15 1 12 26 1 13 28 1 14 30 1 15 29 1 16 24 1 16 27 1 17 23 1 18 21 1 25 18 -2 26 19 -1 19 29 1 27 20 -2 20 30 1 22 23 1 24 22 -1 25 29 1 26 28 1 27 30 1', '30 32 C:125 22.88 -9.96 C:52 22.88 -14.79 C:21 10.28 -12.57 C:25 18.58 -8.39 C:21 13.03 -11.18 C:17 17.50 -14.39 O 11.85 -10.74 O 24.26 -12.36 O 17.19 -8.08 C:27 20.01 -10.06 C:25 15.22 -13.39 C:27 15.12 -9.02 C:36 18.68 -10.35 C:35 16.25 -12.41 C:36 13.96 -9.86 C:32 19.91 -12.36 O 22.17 -13.57 O 12.64 -13.03 O 15.78 -11.18 O 18.73 -13.57 C:171 11.59 -12.12 C:143 22.17 -11.18 C:169 22.88 -12.36 C:38 20.73 -11.18 C:76 13.96 -12.57 C:88 16.25 -9.86 C:60 18.58 -12.17 C:74 17.61 -9.43 C:84 14.40 -11.18 C:61 17.50 -13.03 1 22 2 2 17 1 3 21 1 28 4 -1 29 5 -2 30 6 -2 7 21 2 8 23 2 28 9 -2 10 13 1 10 24 1 11 14 1 11 25 1 12 15 1 12 26 1 13 28 1 14 30 1 15 29 1 16 24 1 16 27 1 17 23 1 18 21 1 25 18 -2 26 19 -1 19 29 1 27 20 -2 20 30 1 22 23 1 24 22 -1 25 29 1 26 28 1 27 30 1', 'C23H36O7', 424.242, 'C', 'np08_1133_5', 4232, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16946, 'Sinulaflexiolide G', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:17]=[C:15]([C:16](=O)O[CH2:16001][CH3:16002])[C@@H:1]1[CH2:2][CH2:3][C@@:4]([CH3:18])(O)[C:5](=O)[CH2:6][CH2:7][C:8]([CH3:19])=[CH:9][CH2:10][CH:11]=[C:12]([CH3:20])[C@H:13](O)[CH2:14]1', 'C=C(C(=O)OCC)[C@@H]1CC[C@@](C)(O)C(=O)CCC(C)=CCC=C(C)[C@H](O)C1', '[CH2:124]=[C:142]([C:169](=O)O[CH2:61][CH3:14])[C@@H:38]1[CH2:26][CH2:39][C@@:80]([CH3:25])(O)[C:213](=O)[CH2:34][CH2:31][C:134]([CH3:17])=[CH:122][CH2:26][CH:125]=[C:138]([CH3:11])[C@H:75](O)[CH2:39]1', '27 27 C:17 21.46 -9.37 C:16002 20.77 -15.39 C:19 11.65 -10.59 C:20 16.11 -13.79 C:18 17.19 -7.80 O 22.82 -11.82 O 14.61 -10.65 O 16.87 -10.22 O 15.80 -7.50 C:9 12.58 -11.97 C:11 14.86 -11.82 C:16001 21.46 -14.18 C:10 13.84 -12.79 C:7 12.58 -9.27 C:6 13.74 -8.43 C:2 18.61 -9.47 C:3 17.29 -9.76 C:14 18.51 -11.82 O 20.77 -12.97 C:8 13.03 -10.59 C:12 16.11 -12.43 C:15 20.77 -10.59 C:16 21.46 -11.82 C:5 14.86 -9.27 C:13 17.19 -11.58 C:1 19.33 -10.59 C:4 16.22 -8.84 1 22 2 2 12 1 3 20 1 4 21 1 27 5 -1 6 23 2 7 24 2 25 8 -2 27 9 -2 10 13 1 10 20 2 11 13 1 11 21 2 12 19 1 14 15 1 14 20 1 15 24 1 16 17 1 16 26 1 17 27 1 18 25 1 18 26 1 19 23 1 21 25 1 22 23 1 26 22 -1 24 27 1', '27 27 C 21.46 -9.37 C 20.77 -15.39 C 11.65 -10.59 C 16.11 -13.79 C 17.19 -7.80 O 22.82 -11.82 O 14.61 -10.65 O 16.87 -10.22 O 15.80 -7.50 C 12.58 -11.97 C 14.86 -11.82 C 21.46 -14.18 C 13.84 -12.79 C 12.58 -9.27 C 13.74 -8.43 C 18.61 -9.47 C 17.29 -9.76 C 18.51 -11.82 O 20.77 -12.97 C 13.03 -10.59 C 16.11 -12.43 C 20.77 -10.59 C 21.46 -11.82 C 14.86 -9.27 C 17.19 -11.58 C 19.33 -10.59 C 16.22 -8.84 1 22 2 2 12 1 3 20 1 4 21 1 27 5 -1 6 23 2 7 24 2 25 8 -2 27 9 -2 10 13 1 10 20 2 11 13 1 11 21 2 12 19 1 14 15 1 14 20 1 15 24 1 16 17 1 16 26 1 17 27 1 18 25 1 18 26 1 19 23 1 21 25 1 22 23 1 26 22 -1 24 27 1', '27 27 C:124 21.46 -9.37 C:14 20.77 -15.39 C:17 11.65 -10.59 C:11 16.11 -13.79 C:25 17.19 -7.80 O 22.82 -11.82 O 14.61 -10.65 O 16.87 -10.22 O 15.80 -7.50 C:122 12.58 -11.97 C:125 14.86 -11.82 C:61 21.46 -14.18 C:26 13.84 -12.79 C:31 12.58 -9.27 C:34 13.74 -8.43 C:26 18.61 -9.47 C:39 17.29 -9.76 C:39 18.51 -11.82 O 20.77 -12.97 C:134 13.03 -10.59 C:138 16.11 -12.43 C:142 20.77 -10.59 C:169 21.46 -11.82 C:213 14.86 -9.27 C:75 17.19 -11.58 C:38 19.33 -10.59 C:80 16.22 -8.84 1 22 2 2 12 1 3 20 1 4 21 1 27 5 -1 6 23 2 7 24 2 25 8 -2 27 9 -2 10 13 1 10 20 2 11 13 1 11 21 2 12 19 1 14 15 1 14 20 1 15 24 1 16 17 1 16 26 1 17 27 1 18 25 1 18 26 1 19 23 1 21 25 1 22 23 1 26 22 -1 24 27 1', 'C22H34O5', 378.232, 'C', 'np08_1133_7', 4232, '', '', '1', 47, NULL, NULL),
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