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
(12962, '', '2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@:1]13[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]([C:10](=O)[C@H:9](O)[C@@:8]2([CH3:19])[CH2:3][C:4](=[CH:20][C@@H:2]1O[C:2001]([CH3:2002])=O)[C@@H:5](O)[CH2:6][C@@H:7]2O[C:7001]([CH3:7002])=O)[C@@:15]3([CH3:16])[CH3:17]', '[H][C@]13C[C@H](OC(C)=O)C(C)=C(C(=O)[C@H](O)[C@@]2(C)CC(=C[C@@H]1OC(C)=O)[C@@H](O)C[C@@H]2OC(C)=O)[C@@]3(C)C', '[H][C@:47]13[CH2:27][C@H:68](O[C:170]([CH3:21])=O)[C:142]([CH3:19])=[C:142]([C:208](=O)[C@H:77](O)[C@@:45]2([CH3:16])[CH2:33][C:140](=[CH:120][C@@H:72]1O[C:170]([CH3:22])=O)[C@@H:67](O)[CH2:37][C@@H:73]2O[C:170]([CH3:21])=O)[C@@:36]3([CH3:25])[CH3:33]', '36 38 H 15.43 -11.94 C:13002 11.18 -15.07 C:2002 16.16 -16.57 C:7002 19.72 -4.58 C:18 12.37 -10.18 C:16 16.07 -9.46 C:17 17.34 -11.64 C:19 17.34 -7.31 O 13.56 -15.07 O 14.93 -14.49 O 20.92 -6.65 O 13.62 -8.09 O 21.07 -10.84 O 16.07 -6.65 C:20 18.58 -12.36 C:6 19.84 -8.76 C:3 17.34 -10.18 C:14 14.83 -13.09 O 12.37 -13.03 O 17.34 -14.49 O 18.58 -6.65 C:13001 12.37 -14.39 C:2001 16.16 -15.18 C:7001 19.72 -5.95 C:12 13.56 -10.92 C:10 14.83 -8.76 C:4 18.58 -10.92 C:11 14.83 -10.18 C:5 19.84 -10.18 C:9 16.07 -8.04 C:13 13.56 -12.36 C:2 17.34 -13.09 C:7 18.58 -8.04 C:15 16.07 -10.92 C:1 16.07 -12.36 C:8 17.34 -8.76 35 1 -1 2 22 1 3 23 1 4 24 1 5 25 1 34 6 -2 34 7 -1 36 8 -1 9 22 2 10 23 2 11 24 2 12 26 2 29 13 -2 30 14 -2 15 27 2 15 32 1 16 29 1 16 33 1 17 27 1 17 36 1 18 31 1 18 35 1 19 22 1 31 19 -2 20 23 1 32 20 -2 21 24 1 33 21 -1 25 28 2 25 31 1 26 28 1 26 30 1 27 29 1 28 34 1 30 36 1 32 35 1 33 36 1 34 35 1', '36 38 H 15.43 -11.94 C 11.18 -15.07 C 16.16 -16.57 C 19.72 -4.58 C 12.37 -10.18 C 16.07 -9.46 C 17.34 -11.64 C 17.34 -7.31 O 13.56 -15.07 O 14.93 -14.49 O 20.92 -6.65 O 13.62 -8.09 O 21.07 -10.84 O 16.07 -6.65 C 18.58 -12.36 C 19.84 -8.76 C 17.34 -10.18 C 14.83 -13.09 O 12.37 -13.03 O 17.34 -14.49 O 18.58 -6.65 C 12.37 -14.39 C 16.16 -15.18 C 19.72 -5.95 C 13.56 -10.92 C 14.83 -8.76 C 18.58 -10.92 C 14.83 -10.18 C 19.84 -10.18 C 16.07 -8.04 C 13.56 -12.36 C 17.34 -13.09 C 18.58 -8.04 C 16.07 -10.92 C 16.07 -12.36 C 17.34 -8.76 35 1 -1 2 22 1 3 23 1 4 24 1 5 25 1 34 6 -2 34 7 -1 36 8 -1 9 22 2 10 23 2 11 24 2 12 26 2 29 13 -2 30 14 -2 15 27 2 15 32 1 16 29 1 16 33 1 17 27 1 17 36 1 18 31 1 18 35 1 19 22 1 31 19 -2 20 23 1 32 20 -2 21 24 1 33 21 -1 25 28 2 25 31 1 26 28 1 26 30 1 27 29 1 28 34 1 30 36 1 32 35 1 33 36 1 34 35 1', '36 38 H 15.43 -11.94 C:21 11.18 -15.07 C:22 16.16 -16.57 C:21 19.72 -4.58 C:19 12.37 -10.18 C:25 16.07 -9.46 C:33 17.34 -11.64 C:16 17.34 -7.31 O 13.56 -15.07 O 14.93 -14.49 O 20.92 -6.65 O 13.62 -8.09 O 21.07 -10.84 O 16.07 -6.65 C:120 18.58 -12.36 C:37 19.84 -8.76 C:33 17.34 -10.18 C:27 14.83 -13.09 O 12.37 -13.03 O 17.34 -14.49 O 18.58 -6.65 C:170 12.37 -14.39 C:170 16.16 -15.18 C:170 19.72 -5.95 C:142 13.56 -10.92 C:208 14.83 -8.76 C:140 18.58 -10.92 C:142 14.83 -10.18 C:67 19.84 -10.18 C:77 16.07 -8.04 C:68 13.56 -12.36 C:72 17.34 -13.09 C:73 18.58 -8.04 C:36 16.07 -10.92 C:47 16.07 -12.36 C:45 17.34 -8.76 35 1 -1 2 22 1 3 23 1 4 24 1 5 25 1 34 6 -2 34 7 -1 36 8 -1 9 22 2 10 23 2 11 24 2 12 26 2 29 13 -2 30 14 -2 15 27 2 15 32 1 16 29 1 16 33 1 17 27 1 17 36 1 18 31 1 18 35 1 19 22 1 31 19 -2 20 23 1 32 20 -2 21 24 1 33 21 -1 25 28 2 25 31 1 26 28 1 26 30 1 27 29 1 28 34 1 30 36 1 32 35 1 33 36 1 34 35 1', 'C26H36O9', 492.281, 'C', 'ph54_829_2', 3345, '', '', '1', 1, NULL, NULL),
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(12976, '', '(1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1](O[c:1001]1[cH:1006][cH:1005][cH:1004][cH:1003][c:1002]1[CH3:1201])([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](Oc1ccccc1C)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:46]34[CH2:23][CH2:38][C@@:35]2([CH3:34])[CH2:37][CH2:21][CH2:35][C@:80](O[c:154]1[cH:120][cH:125][cH:121][cH:131][c:130]1[CH3:17])([CH2:48]2)[C@@:42]3([H])[CH2:38][C@@:35]4([CH3:21])[CH3:31]', '25 28 H 15.35 -7.13 H 15.35 -10.32 C:1201 16.26 -14.70 C:15 19.74 -6.52 C:13 12.49 -8.28 C:14 14.13 -6.63 C:1004 12.61 -14.00 C:1005 12.61 -12.60 C:1003 13.82 -14.70 C:1006 13.82 -11.90 C:10 18.75 -10.06 C:9 19.22 -8.76 C:11 17.55 -10.74 C:7 17.55 -6.82 C:6 16.26 -7.06 C:12 17.20 -8.76 C:3 13.90 -9.50 O 16.26 -11.90 C:1002 15.04 -14.00 C:1001 15.04 -12.60 C:8 18.75 -7.51 C:4 13.90 -8.06 C:5 15.35 -8.06 C:2 15.35 -9.50 C:1 16.26 -10.50 23 1 -1 24 2 -2 3 19 1 21 4 -2 22 5 -2 22 6 -1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 21 1 13 25 1 14 15 1 14 21 1 15 23 1 16 21 1 16 25 1 17 22 1 17 24 1 18 20 1 25 18 -2 19 20 1 22 23 1 23 24 1 24 25 1', '25 28 H 15.35 -7.13 H 15.35 -10.32 C 16.26 -14.70 C 19.74 -6.52 C 12.49 -8.28 C 14.13 -6.63 C 12.61 -14.00 C 12.61 -12.60 C 13.82 -14.70 C 13.82 -11.90 C 18.75 -10.06 C 19.22 -8.76 C 17.55 -10.74 C 17.55 -6.82 C 16.26 -7.06 C 17.20 -8.76 C 13.90 -9.50 O 16.26 -11.90 C 15.04 -14.00 C 15.04 -12.60 C 18.75 -7.51 C 13.90 -8.06 C 15.35 -8.06 C 15.35 -9.50 C 16.26 -10.50 23 1 -1 24 2 -2 3 19 1 21 4 -2 22 5 -2 22 6 -1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 21 1 13 25 1 14 15 1 14 21 1 15 23 1 16 21 1 16 25 1 17 22 1 17 24 1 18 20 1 25 18 -2 19 20 1 22 23 1 23 24 1 24 25 1', '25 28 H 15.35 -7.13 H 15.35 -10.32 C:17 16.26 -14.70 C:34 19.74 -6.52 C:21 12.49 -8.28 C:31 14.13 -6.63 C:121 12.61 -14.00 C:125 12.61 -12.60 C:131 13.82 -14.70 C:120 13.82 -11.90 C:21 18.75 -10.06 C:37 19.22 -8.76 C:35 17.55 -10.74 C:38 17.55 -6.82 C:23 16.26 -7.06 C:48 17.20 -8.76 C:38 13.90 -9.50 O 16.26 -11.90 C:130 15.04 -14.00 C:154 15.04 -12.60 C:35 18.75 -7.51 C:35 13.90 -8.06 C:46 15.35 -8.06 C:42 15.35 -9.50 C:80 16.26 -10.50 23 1 -1 24 2 -2 3 19 1 21 4 -2 22 5 -2 22 6 -1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 21 1 13 25 1 14 15 1 14 21 1 15 23 1 16 21 1 16 25 1 17 22 1 17 24 1 18 20 1 25 18 -2 19 20 1 22 23 1 23 24 1 24 25 1', 'C22H32O', 312.251, 'T+C', 'hca01_3477_13', 3350, '', '', '1', 1, NULL, NULL),
(12977, '', '(1R,2S,5R,8S)-2-Methyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1](O[c:1001]1[cH:1006][cH:1005][c:1004](O)[c:1003]([CH3:1301])[cH:1002]1)([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](Oc1ccc(O)c(C)c1)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:46]34[CH2:23][CH2:38][C@@:34]2([CH3:35])[CH2:38][CH2:20][CH2:38][C@:40](O[c:142]1[cH:125][cH:114][c:151](O)[c:122]([CH3:16])[cH:129]1)([CH2:45]2)[C@@:41]3([H])[CH2:39][C@@:34]4([CH3:21])[CH3:31]', '26 29 H 15.91 -6.40 H 15.91 -9.59 C:1301 14.37 -15.37 C:13 13.05 -7.55 C:14 14.69 -5.90 C:15 20.30 -5.79 O 11.96 -13.97 C:1005 13.17 -11.87 C:1006 14.38 -11.17 C:1002 15.60 -13.27 C:10 19.31 -9.33 C:9 19.78 -8.03 C:7 18.11 -6.09 C:11 18.11 -10.01 C:6 16.81 -6.33 C:3 14.46 -8.77 C:12 17.76 -8.03 O 16.81 -11.17 C:1003 14.37 -13.97 C:1004 13.17 -13.27 C:1001 15.60 -11.87 C:4 14.46 -7.33 C:8 19.31 -6.78 C:5 15.91 -7.33 C:2 15.91 -8.77 C:1 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 22 4 -2 22 5 -1 23 6 -2 7 20 1 8 9 1 8 20 2 9 21 2 10 19 2 10 21 1 11 12 1 11 14 1 12 23 1 13 15 1 13 23 1 14 26 1 15 24 1 16 22 1 16 25 1 17 23 1 17 26 1 18 21 1 26 18 -2 19 20 1 22 24 1 24 25 1 25 26 1', '26 29 H 15.91 -6.40 H 15.91 -9.59 C 14.37 -15.37 C 13.05 -7.55 C 14.69 -5.90 C 20.30 -5.79 O 11.96 -13.97 C 13.17 -11.87 C 14.38 -11.17 C 15.60 -13.27 C 19.31 -9.33 C 19.78 -8.03 C 18.11 -6.09 C 18.11 -10.01 C 16.81 -6.33 C 14.46 -8.77 C 17.76 -8.03 O 16.81 -11.17 C 14.37 -13.97 C 13.17 -13.27 C 15.60 -11.87 C 14.46 -7.33 C 19.31 -6.78 C 15.91 -7.33 C 15.91 -8.77 C 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 22 4 -2 22 5 -1 23 6 -2 7 20 1 8 9 1 8 20 2 9 21 2 10 19 2 10 21 1 11 12 1 11 14 1 12 23 1 13 15 1 13 23 1 14 26 1 15 24 1 16 22 1 16 25 1 17 23 1 17 26 1 18 21 1 26 18 -2 19 20 1 22 24 1 24 25 1 25 26 1', '26 29 H 15.91 -6.40 H 15.91 -9.59 C:16 14.37 -15.37 C:21 13.05 -7.55 C:31 14.69 -5.90 C:35 20.30 -5.79 O 11.96 -13.97 C:114 13.17 -11.87 C:125 14.38 -11.17 C:129 15.60 -13.27 C:20 19.31 -9.33 C:38 19.78 -8.03 C:38 18.11 -6.09 C:38 18.11 -10.01 C:23 16.81 -6.33 C:39 14.46 -8.77 C:45 17.76 -8.03 O 16.81 -11.17 C:122 14.37 -13.97 C:151 13.17 -13.27 C:142 15.60 -11.87 C:34 14.46 -7.33 C:34 19.31 -6.78 C:46 15.91 -7.33 C:41 15.91 -8.77 C:40 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 22 4 -2 22 5 -1 23 6 -2 7 20 1 8 9 1 8 20 2 9 21 2 10 19 2 10 21 1 11 12 1 11 14 1 12 23 1 13 15 1 13 23 1 14 26 1 15 24 1 16 22 1 16 25 1 17 23 1 17 26 1 18 21 1 26 18 -2 19 20 1 22 24 1 24 25 1 25 26 1', 'C22H32O2', 328.25, 'T+C', 'hca01_3477_14', 3350, '', '', '1', 1, NULL, NULL),
(12978, '', '(1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([c:8001]1[cH:8006][cH:8005][c:8004](O)[c:8003]([CH3:8301])[cH:8002]1)[CH2:9][CH2:10][CH2:11][C@:1]([CH3:15])([CH2:12]2)[C@@:2]3([H])[CH2:3][C@:4]4([CH3:14])[CH3:13]', '[H][C@@]34CC[C@@]2(c1ccc(O)c(C)c1)CCC[C@](C)(C2)[C@@]3([H])C[C@]4(C)C', '[H][C@@:45]34[CH2:22][CH2:38][C@@:40]2([c:146]1[cH:124][cH:114][c:151](O)[c:123]([CH3:16])[cH:128]1)[CH2:37][CH2:20][CH2:38][C@:32]([CH3:28])([CH2:47]2)[C@@:37]3([H])[CH2:36][C@:35]4([CH3:31])[CH3:21]', '25 28 H 13.85 -10.34 H 13.85 -13.53 C:8301 18.51 -6.03 C:14 12.63 -9.84 C:13 10.99 -11.49 C:15 14.75 -15.11 O 21.21 -6.75 C:8005 20.58 -9.09 C:8006 19.59 -10.09 C:8002 17.88 -8.37 C:10 17.25 -13.27 C:11 16.05 -13.95 C:6 14.75 -10.27 C:9 17.72 -11.97 C:7 16.05 -10.03 C:3 12.40 -12.71 C:12 15.70 -11.97 C:8003 18.87 -7.38 C:8004 20.22 -7.74 C:8001 18.24 -9.73 C:4 12.40 -11.27 C:1 14.75 -13.71 C:5 13.85 -11.27 C:2 13.85 -12.71 C:8 17.25 -10.72 23 1 -1 24 2 -2 3 18 1 21 4 -1 21 5 -2 22 6 -2 7 19 1 8 9 1 8 19 2 9 20 2 10 18 2 10 20 1 11 12 1 11 14 1 12 22 1 13 15 1 13 23 1 14 25 1 15 25 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 1 25 20 -2 21 23 1 22 24 1 23 24 1', '25 28 H 13.85 -10.34 H 13.85 -13.53 C 18.51 -6.03 C 12.63 -9.84 C 10.99 -11.49 C 14.75 -15.11 O 21.21 -6.75 C 20.58 -9.09 C 19.59 -10.09 C 17.88 -8.37 C 17.25 -13.27 C 16.05 -13.95 C 14.75 -10.27 C 17.72 -11.97 C 16.05 -10.03 C 12.40 -12.71 C 15.70 -11.97 C 18.87 -7.38 C 20.22 -7.74 C 18.24 -9.73 C 12.40 -11.27 C 14.75 -13.71 C 13.85 -11.27 C 13.85 -12.71 C 17.25 -10.72 23 1 -1 24 2 -2 3 18 1 21 4 -1 21 5 -2 22 6 -2 7 19 1 8 9 1 8 19 2 9 20 2 10 18 2 10 20 1 11 12 1 11 14 1 12 22 1 13 15 1 13 23 1 14 25 1 15 25 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 1 25 20 -2 21 23 1 22 24 1 23 24 1', '25 28 H 13.85 -10.34 H 13.85 -13.53 C:16 18.51 -6.03 C:31 12.63 -9.84 C:21 10.99 -11.49 C:28 14.75 -15.11 O 21.21 -6.75 C:114 20.58 -9.09 C:124 19.59 -10.09 C:128 17.88 -8.37 C:20 17.25 -13.27 C:38 16.05 -13.95 C:22 14.75 -10.27 C:37 17.72 -11.97 C:38 16.05 -10.03 C:36 12.40 -12.71 C:47 15.70 -11.97 C:123 18.87 -7.38 C:151 20.22 -7.74 C:146 18.24 -9.73 C:35 12.40 -11.27 C:32 14.75 -13.71 C:45 13.85 -11.27 C:37 13.85 -12.71 C:40 17.25 -10.72 23 1 -1 24 2 -2 3 18 1 21 4 -1 21 5 -2 22 6 -2 7 19 1 8 9 1 8 19 2 9 20 2 10 18 2 10 20 1 11 12 1 11 14 1 12 22 1 13 15 1 13 23 1 14 25 1 15 25 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 1 25 20 -2 21 23 1 22 24 1 23 24 1', 'C22H32O', 312.251, 'T+C', 'hca01_3477_15', 3350, '', '', '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
(12979, '', '(1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1](O[c:1001]1[cH:1002][c:1003]([CH3:1301])[cH:1004][c:1005]([CH3:1501])[cH:1006]1)([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](Oc1cc(C)cc(C)c1)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:45]34[CH2:23][CH2:38][C@@:35]2([CH3:33])[CH2:37][CH2:21][CH2:35][C@:80](O[c:155]1[cH:120][c:138]([CH3:21])[cH:123][c:138]([CH3:21])[cH:120]1)([CH2:47]2)[C@@:42]3([H])[CH2:38][C@@:35]4([CH3:21])[CH3:31]', '26 29 H 15.91 -6.40 H 15.91 -9.59 C:1301 14.38 -15.36 C:1501 11.96 -11.17 C:15 20.30 -5.79 C:13 13.04 -7.55 C:14 14.69 -5.90 C:1004 13.16 -13.27 C:1002 15.60 -13.27 C:1006 14.38 -11.17 C:10 19.31 -9.33 C:9 19.78 -8.03 C:7 18.11 -6.09 C:11 18.11 -10.01 C:6 16.81 -6.33 C:12 17.76 -8.03 C:3 14.46 -8.77 O 16.81 -11.17 C:1003 14.38 -13.97 C:1005 13.16 -11.87 C:1001 15.60 -11.87 C:8 19.31 -6.78 C:4 14.46 -7.33 C:5 15.91 -7.33 C:2 15.91 -8.77 C:1 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 4 20 1 22 5 -2 23 6 -2 23 7 -1 8 19 1 8 20 2 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 14 1 12 22 1 13 15 1 13 22 1 14 26 1 15 24 1 16 22 1 16 26 1 17 23 1 17 25 1 18 21 1 26 18 -2 23 24 1 24 25 1 25 26 1', '26 29 H 15.91 -6.40 H 15.91 -9.59 C 14.38 -15.36 C 11.96 -11.17 C 20.30 -5.79 C 13.04 -7.55 C 14.69 -5.90 C 13.16 -13.27 C 15.60 -13.27 C 14.38 -11.17 C 19.31 -9.33 C 19.78 -8.03 C 18.11 -6.09 C 18.11 -10.01 C 16.81 -6.33 C 17.76 -8.03 C 14.46 -8.77 O 16.81 -11.17 C 14.38 -13.97 C 13.16 -11.87 C 15.60 -11.87 C 19.31 -6.78 C 14.46 -7.33 C 15.91 -7.33 C 15.91 -8.77 C 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 4 20 1 22 5 -2 23 6 -2 23 7 -1 8 19 1 8 20 2 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 14 1 12 22 1 13 15 1 13 22 1 14 26 1 15 24 1 16 22 1 16 26 1 17 23 1 17 25 1 18 21 1 26 18 -2 23 24 1 24 25 1 25 26 1', '26 29 H 15.91 -6.40 H 15.91 -9.59 C:21 14.38 -15.36 C:21 11.96 -11.17 C:33 20.30 -5.79 C:21 13.04 -7.55 C:31 14.69 -5.90 C:123 13.16 -13.27 C:120 15.60 -13.27 C:120 14.38 -11.17 C:21 19.31 -9.33 C:37 19.78 -8.03 C:38 18.11 -6.09 C:35 18.11 -10.01 C:23 16.81 -6.33 C:47 17.76 -8.03 C:38 14.46 -8.77 O 16.81 -11.17 C:138 14.38 -13.97 C:138 13.16 -11.87 C:155 15.60 -11.87 C:35 19.31 -6.78 C:35 14.46 -7.33 C:45 15.91 -7.33 C:42 15.91 -8.77 C:80 16.81 -9.77 24 1 -1 25 2 -2 3 19 1 4 20 1 22 5 -2 23 6 -2 23 7 -1 8 19 1 8 20 2 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 14 1 12 22 1 13 15 1 13 22 1 14 26 1 15 24 1 16 22 1 16 26 1 17 23 1 17 25 1 18 21 1 26 18 -2 23 24 1 24 25 1 25 26 1', 'C23H34O', 326.261, 'T+C', 'hca01_3477_16', 3350, '', '', '1', 1, NULL, NULL),
(12980, '', '(1R,2S,5R,8S)-2,6-Dimethyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1](O[c:1001]1[cH:1002][c:1003]([CH3:1301])[c:1004](O)[c:1005]([CH3:1501])[cH:1006]1)([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](Oc1cc(C)c(O)c(C)c1)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:46]34[CH2:23][CH2:38][C@@:34]2([CH3:35])[CH2:38][CH2:20][CH2:38][C@:40](O[c:141]1[cH:126][c:122]([CH3:16])[c:149](O)[c:122]([CH3:16])[cH:126]1)([CH2:45]2)[C@@:41]3([H])[CH2:39][C@@:34]4([CH3:21])[CH3:30]', '27 30 H 15.90 -6.40 H 15.90 -9.58 C:1301 14.37 -15.35 C:1501 11.93 -11.16 C:13 13.03 -7.55 C:14 14.68 -5.90 C:15 20.29 -5.79 O 11.93 -13.95 C:1002 15.59 -13.26 C:1006 14.37 -11.16 C:10 19.30 -9.32 C:9 19.77 -8.02 C:11 18.10 -10.00 C:7 18.10 -6.09 C:6 16.80 -6.33 C:3 14.45 -8.76 C:12 17.75 -8.02 O 16.80 -11.16 C:1003 14.37 -13.95 C:1005 13.15 -11.86 C:1001 15.59 -11.86 C:1004 13.15 -13.26 C:4 14.45 -7.33 C:8 19.30 -6.78 C:5 15.90 -7.33 C:2 15.90 -8.76 C:1 16.80 -9.76 25 1 -1 26 2 -2 3 19 1 4 20 1 23 5 -2 23 6 -1 24 7 -2 8 22 1 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 13 1 12 24 1 13 27 1 14 15 1 14 24 1 15 25 1 16 23 1 16 26 1 17 24 1 17 27 1 18 21 1 27 18 -2 19 22 1 20 22 2 23 25 1 25 26 1 26 27 1', '27 30 H 15.90 -6.40 H 15.90 -9.58 C 14.37 -15.35 C 11.93 -11.16 C 13.03 -7.55 C 14.68 -5.90 C 20.29 -5.79 O 11.93 -13.95 C 15.59 -13.26 C 14.37 -11.16 C 19.30 -9.32 C 19.77 -8.02 C 18.10 -10.00 C 18.10 -6.09 C 16.80 -6.33 C 14.45 -8.76 C 17.75 -8.02 O 16.80 -11.16 C 14.37 -13.95 C 13.15 -11.86 C 15.59 -11.86 C 13.15 -13.26 C 14.45 -7.33 C 19.30 -6.78 C 15.90 -7.33 C 15.90 -8.76 C 16.80 -9.76 25 1 -1 26 2 -2 3 19 1 4 20 1 23 5 -2 23 6 -1 24 7 -2 8 22 1 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 13 1 12 24 1 13 27 1 14 15 1 14 24 1 15 25 1 16 23 1 16 26 1 17 24 1 17 27 1 18 21 1 27 18 -2 19 22 1 20 22 2 23 25 1 25 26 1 26 27 1', '27 30 H 15.90 -6.40 H 15.90 -9.58 C:16 14.37 -15.35 C:16 11.93 -11.16 C:21 13.03 -7.55 C:30 14.68 -5.90 C:35 20.29 -5.79 O 11.93 -13.95 C:126 15.59 -13.26 C:126 14.37 -11.16 C:20 19.30 -9.32 C:38 19.77 -8.02 C:38 18.10 -10.00 C:38 18.10 -6.09 C:23 16.80 -6.33 C:39 14.45 -8.76 C:45 17.75 -8.02 O 16.80 -11.16 C:122 14.37 -13.95 C:122 13.15 -11.86 C:141 15.59 -11.86 C:149 13.15 -13.26 C:34 14.45 -7.33 C:34 19.30 -6.78 C:46 15.90 -7.33 C:41 15.90 -8.76 C:40 16.80 -9.76 25 1 -1 26 2 -2 3 19 1 4 20 1 23 5 -2 23 6 -1 24 7 -2 8 22 1 9 19 2 9 21 1 10 20 1 10 21 2 11 12 1 11 13 1 12 24 1 13 27 1 14 15 1 14 24 1 15 25 1 16 23 1 16 26 1 17 24 1 17 27 1 18 21 1 27 18 -2 19 22 1 20 22 2 23 25 1 25 26 1 26 27 1', 'C23H34O2', 342.261, 'T+C', 'hca01_3477_17', 3350, '', '', '1', 1, NULL, NULL),
(12981, '', '(1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1](O[c:1001]1[cH:1006][cH:1005][cH:1004][cH:1003][c:1002]1O)([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](Oc1ccccc1O)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:46]34[CH2:23][CH2:38][C@@:35]2([CH3:34])[CH2:37][CH2:21][CH2:35][C@:82](O[c:150]1[cH:115][cH:123][cH:121][cH:119][c:142]1O)([CH2:48]2)[C@@:42]3([H])[CH2:37][C@@:35]4([CH3:21])[CH3:31]', '25 28 H 15.35 -7.13 H 15.35 -10.31 C:13 12.48 -8.28 C:14 14.13 -6.63 C:15 19.74 -6.52 O 16.25 -14.69 C:1004 12.60 -14.00 C:1005 12.60 -12.60 C:1003 13.82 -14.69 C:1006 13.82 -11.89 C:10 18.75 -10.05 C:9 19.22 -8.75 C:11 17.55 -10.73 C:7 17.55 -6.82 C:6 16.25 -7.06 C:3 13.90 -9.49 C:12 17.20 -8.75 O 16.25 -11.89 C:1002 15.04 -14.00 C:1001 15.04 -12.60 C:4 13.90 -8.06 C:8 18.75 -7.51 C:5 15.35 -8.06 C:2 15.35 -9.49 C:1 16.25 -10.49 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 19 1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 20 1 25 18 -2 19 20 1 21 23 1 23 24 1 24 25 1', '25 28 H 15.35 -7.13 H 15.35 -10.31 C 12.48 -8.28 C 14.13 -6.63 C 19.74 -6.52 O 16.25 -14.69 C 12.60 -14.00 C 12.60 -12.60 C 13.82 -14.69 C 13.82 -11.89 C 18.75 -10.05 C 19.22 -8.75 C 17.55 -10.73 C 17.55 -6.82 C 16.25 -7.06 C 13.90 -9.49 C 17.20 -8.75 O 16.25 -11.89 C 15.04 -14.00 C 15.04 -12.60 C 13.90 -8.06 C 18.75 -7.51 C 15.35 -8.06 C 15.35 -9.49 C 16.25 -10.49 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 19 1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 20 1 25 18 -2 19 20 1 21 23 1 23 24 1 24 25 1', '25 28 H 15.35 -7.13 H 15.35 -10.31 C:21 12.48 -8.28 C:31 14.13 -6.63 C:34 19.74 -6.52 O 16.25 -14.69 C:121 12.60 -14.00 C:123 12.60 -12.60 C:119 13.82 -14.69 C:115 13.82 -11.89 C:21 18.75 -10.05 C:37 19.22 -8.75 C:35 17.55 -10.73 C:38 17.55 -6.82 C:23 16.25 -7.06 C:37 13.90 -9.49 C:48 17.20 -8.75 O 16.25 -11.89 C:142 15.04 -14.00 C:150 15.04 -12.60 C:35 13.90 -8.06 C:35 18.75 -7.51 C:46 15.35 -8.06 C:42 15.35 -9.49 C:82 16.25 -10.49 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 19 1 7 8 2 7 9 1 8 10 1 9 19 2 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 20 1 25 18 -2 19 20 1 21 23 1 23 24 1 24 25 1', 'C21H30O2', 314.239, 'T+C', 'hca01_3477_18', 3350, '', '', '1', 1, NULL, NULL),
(12982, '', '(1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,2-diol', 'Terpenoids', 'Sesquiterpenoids', 'Caryolanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:15])[CH2:9][CH2:10][CH2:11][C@:1]([c:1001]1[cH:1006][cH:1005][c:1004](O)[c:1003](O)[cH:1002]1)([CH2:12]2)[C@@:2]3([H])[CH2:3][C@@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@@]2(C)CCC[C@](c1ccc(O)c(O)c1)(C2)[C@@]3([H])C[C@@]4(C)C', '[H][C@@:46]34[CH2:23][CH2:38][C@@:34]2([CH3:35])[CH2:38][CH2:20][CH2:38][C@:40]([c:141]1[cH:117][cH:114][c:142](O)[c:144](O)[cH:113]1)([CH2:45]2)[C@@:41]3([H])[CH2:39][C@@:34]4([CH3:21])[CH3:31]', '25 28 H 15.37 -6.41 H 15.37 -9.59 C:13 12.49 -7.56 C:14 14.15 -5.91 C:15 19.77 -5.80 O 16.27 -15.38 O 18.70 -13.98 C:1005 15.06 -13.28 C:1006 15.06 -11.87 C:1002 17.49 -11.87 C:10 18.78 -9.33 C:9 19.25 -8.03 C:11 17.58 -10.01 C:7 17.58 -6.10 C:6 16.27 -6.34 C:3 13.92 -8.77 C:12 17.22 -8.03 C:1004 16.27 -13.98 C:1003 17.49 -13.28 C:1001 16.27 -11.17 C:4 13.92 -7.34 C:8 18.78 -6.79 C:5 15.37 -7.34 C:2 15.37 -8.77 C:1 16.27 -9.77 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 18 1 7 19 1 8 9 2 8 18 1 9 20 1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 2 25 20 -2 21 23 1 23 24 1 24 25 1', '25 28 H 15.37 -6.41 H 15.37 -9.59 C 12.49 -7.56 C 14.15 -5.91 C 19.77 -5.80 O 16.27 -15.38 O 18.70 -13.98 C 15.06 -13.28 C 15.06 -11.87 C 17.49 -11.87 C 18.78 -9.33 C 19.25 -8.03 C 17.58 -10.01 C 17.58 -6.10 C 16.27 -6.34 C 13.92 -8.77 C 17.22 -8.03 C 16.27 -13.98 C 17.49 -13.28 C 16.27 -11.17 C 13.92 -7.34 C 18.78 -6.79 C 15.37 -7.34 C 15.37 -8.77 C 16.27 -9.77 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 18 1 7 19 1 8 9 2 8 18 1 9 20 1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 2 25 20 -2 21 23 1 23 24 1 24 25 1', '25 28 H 15.37 -6.41 H 15.37 -9.59 C:21 12.49 -7.56 C:31 14.15 -5.91 C:35 19.77 -5.80 O 16.27 -15.38 O 18.70 -13.98 C:114 15.06 -13.28 C:117 15.06 -11.87 C:113 17.49 -11.87 C:20 18.78 -9.33 C:38 19.25 -8.03 C:38 17.58 -10.01 C:38 17.58 -6.10 C:23 16.27 -6.34 C:39 13.92 -8.77 C:45 17.22 -8.03 C:142 16.27 -13.98 C:144 17.49 -13.28 C:141 16.27 -11.17 C:34 13.92 -7.34 C:34 18.78 -6.79 C:46 15.37 -7.34 C:41 15.37 -8.77 C:40 16.27 -9.77 23 1 -1 24 2 -2 21 3 -2 21 4 -1 22 5 -2 6 18 1 7 19 1 8 9 2 8 18 1 9 20 1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 25 1 14 15 1 14 22 1 15 23 1 16 21 1 16 24 1 17 22 1 17 25 1 18 19 2 25 20 -2 21 23 1 23 24 1 24 25 1', 'C21H30O2', 314.239, 'T+A', 'hca01_3477_19', 3350, '', '', '1', 1, 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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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
(13011, '', 'Methyl (23R,25R)-3,4-seco-9‚H-lanosta-4(28),7-dien-26,23-olid-3-oate', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:23]4([CH2:22][C@@H:20]([CH3:21])[C@@:17]2([H])[CH2:16][CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C@:9]1([H])[CH2:11][CH2:12][C@:13]23[CH3:18])[CH2:24][C@@H:25]([CH3:27])[C:26](=O)O4', '[H][C@@]4(C[C@@H](C)[C@@]2([H])CC[C@@]3(C)C1=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)[C@]1([H])CC[C@]23C)C[C@@H](C)C(=O)O4', '[H][C@@:76]4([CH2:43][C@@H:33]([CH3:18])[C@@:54]2([H])[CH2:28][CH2:34][C@@:52]3([CH3:27])[C:146]1=[CH:118][CH2:30][C@@H:45]([C:150](=[CH2:112])[CH3:26])[C@:36]([CH3:24])([CH2:29][CH2:29][C:175](=O)O[CH3:52])[C@:39]1([H])[CH2:19][CH2:34][C@:44]23[CH3:22])[CH2:36][C@@H:34]([CH3:16])[C:180](=O)O4', '38 41 H 22.04 -7.14 H 14.88 -11.59 H 18.52 -9.68 C:28 12.33 -14.88 C:3001 7.45 -10.58 C:29 11.13 -12.78 C:27 22.55 -11.59 C:21 18.22 -6.25 C:30 17.40 -12.04 C:19 13.59 -9.85 C:18 17.40 -7.71 O 9.89 -9.18 O 24.83 -9.53 C:7 16.12 -12.78 C:2 11.13 -11.30 C:6 14.88 -13.47 C:1 12.33 -10.58 C:11 14.88 -9.12 C:16 19.56 -9.85 C:15 18.72 -10.99 C:12 16.12 -8.41 C:24 21.22 -9.46 C:22 20.59 -7.03 O 8.65 -11.30 O 22.92 -7.96 C:4 12.33 -13.47 C:3 9.89 -10.58 C:26 23.47 -9.24 C:8 16.12 -11.30 C:25 22.42 -10.17 C:20 19.15 -7.33 C:5 13.59 -12.78 C:23 21.51 -8.08 C:9 14.88 -10.58 C:17 18.72 -8.69 C:14 17.40 -10.58 C:10 13.59 -11.30 C:13 17.40 -9.12 33 1 -2 34 2 -1 35 3 -2 4 26 2 5 24 1 6 26 1 30 7 -2 31 8 -2 36 9 -2 37 10 -1 38 11 -1 12 27 2 13 28 2 14 16 1 14 29 2 15 17 1 15 27 1 16 32 1 17 37 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 30 1 22 33 1 23 31 1 23 33 1 24 27 1 25 28 1 25 33 1 32 26 -1 28 30 1 29 34 1 29 36 1 31 35 1 32 37 1 34 37 1 35 38 1 36 38 1', '38 41 H 22.04 -7.14 H 14.88 -11.59 H 18.52 -9.68 C 12.33 -14.88 C 7.45 -10.58 C 11.13 -12.78 C 22.55 -11.59 C 18.22 -6.25 C 17.40 -12.04 C 13.59 -9.85 C 17.40 -7.71 O 9.89 -9.18 O 24.83 -9.53 C 16.12 -12.78 C 11.13 -11.30 C 14.88 -13.47 C 12.33 -10.58 C 14.88 -9.12 C 19.56 -9.85 C 18.72 -10.99 C 16.12 -8.41 C 21.22 -9.46 C 20.59 -7.03 O 8.65 -11.30 O 22.92 -7.96 C 12.33 -13.47 C 9.89 -10.58 C 23.47 -9.24 C 16.12 -11.30 C 22.42 -10.17 C 19.15 -7.33 C 13.59 -12.78 C 21.51 -8.08 C 14.88 -10.58 C 18.72 -8.69 C 17.40 -10.58 C 13.59 -11.30 C 17.40 -9.12 33 1 -2 34 2 -1 35 3 -2 4 26 2 5 24 1 6 26 1 30 7 -2 31 8 -2 36 9 -2 37 10 -1 38 11 -1 12 27 2 13 28 2 14 16 1 14 29 2 15 17 1 15 27 1 16 32 1 17 37 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 30 1 22 33 1 23 31 1 23 33 1 24 27 1 25 28 1 25 33 1 32 26 -1 28 30 1 29 34 1 29 36 1 31 35 1 32 37 1 34 37 1 35 38 1 36 38 1', '38 41 H 22.04 -7.14 H 14.88 -11.59 H 18.52 -9.68 C:112 12.33 -14.88 C:52 7.45 -10.58 C:26 11.13 -12.78 C:16 22.55 -11.59 C:18 18.22 -6.25 C:27 17.40 -12.04 C:24 13.59 -9.85 C:22 17.40 -7.71 O 9.89 -9.18 O 24.83 -9.53 C:118 16.12 -12.78 C:29 11.13 -11.30 C:30 14.88 -13.47 C:29 12.33 -10.58 C:19 14.88 -9.12 C:28 19.56 -9.85 C:34 18.72 -10.99 C:34 16.12 -8.41 C:36 21.22 -9.46 C:43 20.59 -7.03 O 8.65 -11.30 O 22.92 -7.96 C:150 12.33 -13.47 C:175 9.89 -10.58 C:180 23.47 -9.24 C:146 16.12 -11.30 C:34 22.42 -10.17 C:33 19.15 -7.33 C:45 13.59 -12.78 C:76 21.51 -8.08 C:39 14.88 -10.58 C:54 18.72 -8.69 C:52 17.40 -10.58 C:36 13.59 -11.30 C:44 17.40 -9.12 33 1 -2 34 2 -1 35 3 -2 4 26 2 5 24 1 6 26 1 30 7 -2 31 8 -2 36 9 -2 37 10 -1 38 11 -1 12 27 2 13 28 2 14 16 1 14 29 2 15 17 1 15 27 1 16 32 1 17 37 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 30 1 22 33 1 23 31 1 23 33 1 24 27 1 25 28 1 25 33 1 32 26 -1 28 30 1 29 34 1 29 36 1 31 35 1 32 37 1 34 37 1 35 38 1 36 38 1', 'C31H48O4', 484.353, 'C', 'np02_1657_1', 3357, '', '', '1', 1, NULL, NULL),
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(13023, 'Garcihombronane J', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:8]23[CH2:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]4([CH3:30])[C:17]([C@H:20]([CH3:21])[CH2:22][C:23](=O)[CH2:24][C@@H:25]([CH3:27])[C:26](=O)O[CH3:26001])=[CH:16][CH2:15][C@@:14]34[CH3:18]', '[H][C@@]23CC[C@@]1([H])[C@@](C)(C)[C@H](O)CC[C@]1(C)C2=CC[C@]4(C)C([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)=CC[C@@]34C', '[H][C@@:40]23[CH2:28][CH2:21][C@@:47]1([H])[C@@:38]([CH3:23])([CH3:28])[C@H:76](O)[CH2:26][CH2:31][C@:40]1([CH3:22])[C:149]2=[CH:114][CH2:31][C@:51]4([CH3:20])[C:156]([C@H:28]([CH3:21])[CH2:50][C:208](=O)[CH2:47][C@@H:35]([CH3:17])[C:176](=O)O[CH3:52])=[CH:120][CH2:41][C@@:47]34[CH3:19]', '37 40 H 13.78 -10.27 H 11.25 -13.94 C:26001 24.62 -7.18 C:27 20.99 -10.27 C:21 15.84 -6.40 C:28 10.78 -14.73 C:29 9.24 -14.73 C:30 15.01 -7.85 C:19 11.25 -9.94 C:18 15.01 -12.03 O 18.66 -9.53 O 23.69 -9.80 O 7.61 -13.54 C:16 17.15 -9.94 C:11 12.55 -9.25 C:2 8.81 -11.38 C:12 13.78 -8.51 C:15 16.35 -11.07 C:1 10.03 -10.64 C:7 13.78 -12.87 C:6 12.55 -13.54 C:24 20.49 -7.92 C:22 18.18 -7.18 O 23.25 -7.40 C:23 19.11 -8.21 C:26 22.78 -8.73 C:17 16.35 -8.80 C:9 12.55 -10.64 C:25 21.41 -8.98 C:20 16.77 -7.46 C:3 8.81 -12.87 C:4 10.03 -13.54 C:8 13.78 -11.38 C:13 15.01 -9.25 C:10 11.25 -11.38 C:5 11.25 -12.87 C:14 15.01 -10.64 33 1 -1 36 2 -2 3 24 1 29 4 -2 30 5 -2 32 6 -2 32 7 -1 34 8 -1 35 9 -1 37 10 -2 11 25 2 12 26 2 31 13 -2 14 18 1 14 27 2 15 17 1 15 28 2 16 19 1 16 31 1 17 34 1 18 37 1 19 35 1 20 21 1 20 33 1 21 36 1 22 25 1 22 29 1 23 25 1 23 30 1 24 26 1 26 29 1 27 30 1 27 34 1 28 33 1 28 35 1 31 32 1 32 36 1 33 37 1 34 37 1 35 36 1', '37 40 H 13.78 -10.27 H 11.25 -13.94 C 24.62 -7.18 C 20.99 -10.27 C 15.84 -6.40 C 10.78 -14.73 C 9.24 -14.73 C 15.01 -7.85 C 11.25 -9.94 C 15.01 -12.03 O 18.66 -9.53 O 23.69 -9.80 O 7.61 -13.54 C 17.15 -9.94 C 12.55 -9.25 C 8.81 -11.38 C 13.78 -8.51 C 16.35 -11.07 C 10.03 -10.64 C 13.78 -12.87 C 12.55 -13.54 C 20.49 -7.92 C 18.18 -7.18 O 23.25 -7.40 C 19.11 -8.21 C 22.78 -8.73 C 16.35 -8.80 C 12.55 -10.64 C 21.41 -8.98 C 16.77 -7.46 C 8.81 -12.87 C 10.03 -13.54 C 13.78 -11.38 C 15.01 -9.25 C 11.25 -11.38 C 11.25 -12.87 C 15.01 -10.64 33 1 -1 36 2 -2 3 24 1 29 4 -2 30 5 -2 32 6 -2 32 7 -1 34 8 -1 35 9 -1 37 10 -2 11 25 2 12 26 2 31 13 -2 14 18 1 14 27 2 15 17 1 15 28 2 16 19 1 16 31 1 17 34 1 18 37 1 19 35 1 20 21 1 20 33 1 21 36 1 22 25 1 22 29 1 23 25 1 23 30 1 24 26 1 26 29 1 27 30 1 27 34 1 28 33 1 28 35 1 31 32 1 32 36 1 33 37 1 34 37 1 35 36 1', '37 40 H 13.78 -10.27 H 11.25 -13.94 C:52 24.62 -7.18 C:17 20.99 -10.27 C:21 15.84 -6.40 C:23 10.78 -14.73 C:28 9.24 -14.73 C:20 15.01 -7.85 C:22 11.25 -9.94 C:19 15.01 -12.03 O 18.66 -9.53 O 23.69 -9.80 O 7.61 -13.54 C:120 17.15 -9.94 C:114 12.55 -9.25 C:26 8.81 -11.38 C:31 13.78 -8.51 C:41 16.35 -11.07 C:31 10.03 -10.64 C:28 13.78 -12.87 C:21 12.55 -13.54 C:47 20.49 -7.92 C:50 18.18 -7.18 O 23.25 -7.40 C:208 19.11 -8.21 C:176 22.78 -8.73 C:156 16.35 -8.80 C:149 12.55 -10.64 C:35 21.41 -8.98 C:28 16.77 -7.46 C:76 8.81 -12.87 C:38 10.03 -13.54 C:40 13.78 -11.38 C:51 15.01 -9.25 C:40 11.25 -11.38 C:47 11.25 -12.87 C:47 15.01 -10.64 33 1 -1 36 2 -2 3 24 1 29 4 -2 30 5 -2 32 6 -2 32 7 -1 34 8 -1 35 9 -1 37 10 -2 11 25 2 12 26 2 31 13 -2 14 18 1 14 27 2 15 17 1 15 28 2 16 19 1 16 31 1 17 34 1 18 37 1 19 35 1 20 21 1 20 33 1 21 36 1 22 25 1 22 29 1 23 25 1 23 30 1 24 26 1 26 29 1 27 30 1 27 34 1 28 33 1 28 35 1 31 32 1 32 36 1 33 37 1 34 37 1 35 36 1', 'C31H48O4', 484.345, '', 'np05_1222_5', 3359, '', '', '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
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(13032, 'methyl 2,3-diacetyl Mormentate', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([C:28](=O)O[CH3:28001])[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]1([H])[C:13]2=[CH:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@@]3(C)[C@]2(C)CC[C@@]1(C(=O)OC)CC[C@@H](C)[C@@](C)(O)[C@@]1([H])C2=CC[C@]3([H])[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]5(C)C', '[H][C@@:55]45[CH2:18][CH2:32][C@@:40]3([CH3:17])[C@:41]2([CH3:24])[CH2:28][CH2:25][C@@:48]1([C:178](=O)O[CH3:52])[CH2:37][CH2:26][C@@H:41]([CH3:16])[C@@:73]([CH3:27])(O)[C@@:53]1([H])[C:138]2=[CH:129][CH2:24][C@:47]3([H])[C@@:38]4([CH3:16])[CH2:44][C@@H:70](O[C:171]([CH3:21])=O)[C@H:81](O[C:177]([CH3:21])=O)[C@@:39]5([CH3:18])[CH3:28]', '45 49 H 14.30 -14.69 H 15.53 -12.44 H 19.22 -10.48 C:28001 24.09 -10.70 C:2002 9.42 -9.33 C:3002 8.20 -14.19 C:30 20.46 -5.68 C:24 12.13 -15.48 C:23 13.89 -15.48 C:29 18.49 -6.61 C:27 17.98 -12.82 C:26 16.76 -10.70 C:25 14.30 -10.70 O 11.83 -9.33 O 9.42 -12.10 O 21.66 -12.10 O 17.82 -7.88 C:12 16.76 -9.33 C:21 21.72 -7.88 C:11 15.53 -9.97 C:22 21.72 -9.33 C:15 19.22 -12.10 C:6 15.53 -14.19 C:7 16.76 -13.50 C:16 20.46 -11.44 C:1 13.07 -11.44 O 22.88 -9.97 O 10.62 -11.44 O 10.62 -14.19 C:2001 10.62 -10.03 C:3001 9.42 -13.50 C:28 21.66 -10.70 C:13 17.98 -9.97 C:20 20.46 -7.08 C:2 11.83 -12.10 C:3 11.83 -13.50 C:4 13.07 -14.19 C:19 19.22 -7.82 C:14 17.98 -11.44 C:5 14.30 -13.50 C:9 15.53 -11.44 C:18 19.22 -9.33 C:8 16.76 -12.10 C:10 14.30 -12.10 C:17 20.46 -9.97 40 1 -2 41 2 -2 42 3 -1 4 27 1 5 30 1 6 31 1 34 7 -2 37 8 -1 37 9 -2 38 10 -1 39 11 -2 43 12 -1 44 13 -1 14 30 2 15 31 2 16 32 2 38 17 -2 18 20 1 18 33 2 19 21 1 19 34 1 20 41 1 21 45 1 22 25 1 22 39 1 23 24 1 23 40 1 24 43 1 25 45 1 26 35 1 26 44 1 27 32 1 28 30 1 35 28 -2 29 31 1 36 29 -1 45 32 -1 33 39 1 33 42 1 34 38 1 35 36 1 36 37 1 37 40 1 38 42 1 39 43 1 40 44 1 41 43 1 41 44 1 42 45 1', '45 49 H 14.30 -14.69 H 15.53 -12.44 H 19.22 -10.48 C 24.09 -10.70 C 9.42 -9.33 C 8.20 -14.19 C 20.46 -5.68 C 12.13 -15.48 C 13.89 -15.48 C 18.49 -6.61 C 17.98 -12.82 C 16.76 -10.70 C 14.30 -10.70 O 11.83 -9.33 O 9.42 -12.10 O 21.66 -12.10 O 17.82 -7.88 C 16.76 -9.33 C 21.72 -7.88 C 15.53 -9.97 C 21.72 -9.33 C 19.22 -12.10 C 15.53 -14.19 C 16.76 -13.50 C 20.46 -11.44 C 13.07 -11.44 O 22.88 -9.97 O 10.62 -11.44 O 10.62 -14.19 C 10.62 -10.03 C 9.42 -13.50 C 21.66 -10.70 C 17.98 -9.97 C 20.46 -7.08 C 11.83 -12.10 C 11.83 -13.50 C 13.07 -14.19 C 19.22 -7.82 C 17.98 -11.44 C 14.30 -13.50 C 15.53 -11.44 C 19.22 -9.33 C 16.76 -12.10 C 14.30 -12.10 C 20.46 -9.97 40 1 -2 41 2 -2 42 3 -1 4 27 1 5 30 1 6 31 1 34 7 -2 37 8 -1 37 9 -2 38 10 -1 39 11 -2 43 12 -1 44 13 -1 14 30 2 15 31 2 16 32 2 38 17 -2 18 20 1 18 33 2 19 21 1 19 34 1 20 41 1 21 45 1 22 25 1 22 39 1 23 24 1 23 40 1 24 43 1 25 45 1 26 35 1 26 44 1 27 32 1 28 30 1 35 28 -2 29 31 1 36 29 -1 45 32 -1 33 39 1 33 42 1 34 38 1 35 36 1 36 37 1 37 40 1 38 42 1 39 43 1 40 44 1 41 43 1 41 44 1 42 45 1', '45 49 H 14.30 -14.69 H 15.53 -12.44 H 19.22 -10.48 C:52 24.09 -10.70 C:21 9.42 -9.33 C:21 8.20 -14.19 C:16 20.46 -5.68 C:18 12.13 -15.48 C:28 13.89 -15.48 C:27 18.49 -6.61 C:24 17.98 -12.82 C:17 16.76 -10.70 C:16 14.30 -10.70 O 11.83 -9.33 O 9.42 -12.10 O 21.66 -12.10 O 17.82 -7.88 C:129 16.76 -9.33 C:26 21.72 -7.88 C:24 15.53 -9.97 C:37 21.72 -9.33 C:28 19.22 -12.10 C:18 15.53 -14.19 C:32 16.76 -13.50 C:25 20.46 -11.44 C:44 13.07 -11.44 O 22.88 -9.97 O 10.62 -11.44 O 10.62 -14.19 C:171 10.62 -10.03 C:177 9.42 -13.50 C:178 21.66 -10.70 C:138 17.98 -9.97 C:41 20.46 -7.08 C:70 11.83 -12.10 C:81 11.83 -13.50 C:39 13.07 -14.19 C:73 19.22 -7.82 C:41 17.98 -11.44 C:55 14.30 -13.50 C:47 15.53 -11.44 C:53 19.22 -9.33 C:40 16.76 -12.10 C:38 14.30 -12.10 C:48 20.46 -9.97 40 1 -2 41 2 -2 42 3 -1 4 27 1 5 30 1 6 31 1 34 7 -2 37 8 -1 37 9 -2 38 10 -1 39 11 -2 43 12 -1 44 13 -1 14 30 2 15 31 2 16 32 2 38 17 -2 18 20 1 18 33 2 19 21 1 19 34 1 20 41 1 21 45 1 22 25 1 22 39 1 23 24 1 23 40 1 24 43 1 25 45 1 26 35 1 26 44 1 27 32 1 28 30 1 35 28 -2 29 31 1 36 29 -1 45 32 -1 33 39 1 33 42 1 34 38 1 35 36 1 36 37 1 37 40 1 38 42 1 39 43 1 40 44 1 41 43 1 41 44 1 42 45 1', 'C35H54O7', 586.394, 'C', 'ph48_171_4', 3361, '', '', '1', 1, 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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C:103 23.41 -9.54 C:104 23.41 -10.97 C:102 22.17 -8.83 C:3 8.79 -12.37 C:105 22.17 -11.66 C:101 20.96 -9.54 C:19 16.14 -6.73 C:14 14.92 -10.28 C:9 12.44 -10.28 C:5 11.24 -12.37 C:18 16.14 -8.12 C:8 13.70 -10.97 C:10 11.24 -10.97 C:4 10.00 -13.07 C:17 17.36 -8.83 47 1 -2 48 2 -2 49 3 -1 4 30 1 5 31 1 37 6 -2 45 7 -1 46 8 -2 50 9 -1 51 10 -1 52 11 -2 12 34 2 13 35 2 38 14 -2 39 15 -1 40 16 -2 41 17 -2 42 18 -1 45 19 -2 20 22 1 20 36 2 21 23 1 21 37 1 22 47 1 23 53 1 24 27 1 24 46 1 25 26 1 25 48 1 26 50 1 27 53 1 28 30 1 43 28 -1 29 38 1 29 51 1 31 34 1 32 35 1 44 32 -1 33 43 1 33 44 1 52 34 -1 53 35 -1 36 46 1 36 49 1 37 45 1 38 42 1 39 40 1 39 41 1 40 43 1 41 44 1 42 52 1 45 49 1 46 50 1 47 50 1 47 51 1 48 51 1 48 52 1 49 53 1', '53 58 H 12.44 -11.28 H 11.24 -13.50 H 16.14 -9.33 C 20.96 -15.10 C 8.58 -16.66 C 17.36 -4.55 C 15.43 -5.51 C 14.92 -11.66 C 13.70 -9.54 C 11.24 -9.54 C 10.83 -14.29 O 7.69 -14.11 O 18.56 -10.97 O 7.58 -10.28 O 24.65 -8.83 O 24.65 -11.66 O 22.17 -7.44 O 7.58 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(13037, '', '2a,3b,19a-trihydroxyurs-12-en-24,28-dioic acid-28-O-(3''-O-methyl-β-D-glucopyranosyl) ester', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]45[CH2:11][CH:12]=[C:13]2[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]3([C:28](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O[CH3:103001])[C@H:102]1O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@:5]6([H])[C@:10]5([CH3:25])[CH2:1][C@@H:2](O)[C@H:3](O)[C@:4]6([CH3:23])[C:24](=O)O[CH3:24001]', '[H][C@]45CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@]6([H])[C@]5(C)C[C@@H](O)[C@H](O)[C@]6(C)C(=O)OC', 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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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(13049, '', '3b-Methoxy-16a-hydroxyursa-12,19(29)-dien-27,28-dioic acid', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C:19](=[CH2:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[C@H:16](O)[CH2:15][C@@:14]2([C:27](=O)O)[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O[CH3:3001])[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34CC=C2[C@]1([H])C(=C)[C@H](C)CC[C@]1(C(=O)O)[C@H](O)C[C@@]2(C(=O)O)[C@]3(C)CC[C@@]5([H])[C@@](C)(C)[C@@H](OC)CC[C@]45C', '[H][C@:48]34[CH2:24][CH:129]=[C:135]2[C@:50]1([H])[C:153](=[CH2:108])[C@H:38]([CH3:21])[CH2:33][CH2:38][C@:49]1([C:182](=O)O)[C@H:79](O)[CH2:37][C@@:58]2([C:180](=O)O)[C@:40]3([CH3:18])[CH2:32][CH2:19][C@@:57]5([H])[C@@:39]([CH3:29])([CH3:17])[C@@H:91](O[CH3:56])[CH2:27][CH2:40][C@:38]45[CH3:17]', '40 44 H 15.51 -12.50 H 14.28 -14.70 H 19.21 -10.53 C:29 17.97 -7.18 C:3001 9.39 -13.55 C:30 20.47 -5.72 C:23 13.87 -15.50 C:24 12.13 -15.50 C:25 14.28 -10.74 C:26 16.75 -10.74 O 18.67 -14.06 O 21.66 -12.14 O 17.27 -14.06 O 22.86 -10.03 O 21.08 -12.73 C:12 16.75 -9.31 C:11 15.51 -10.03 C:21 21.62 -7.87 C:2 11.83 -12.19 C:1 13.06 -11.46 C:6 15.51 -14.25 C:22 21.62 -9.31 C:7 16.75 -13.55 C:15 19.21 -12.19 O 10.61 -14.25 C:27 17.97 -12.88 C:28 21.66 -10.74 C:19 19.21 -7.87 C:13 17.97 -10.03 C:20 20.47 -7.18 C:16 20.47 -11.46 C:3 11.83 -13.55 C:4 13.06 -14.25 C:9 15.51 -11.46 C:5 14.28 -13.55 C:18 19.21 -9.31 C:10 14.28 -12.19 C:8 16.75 -12.19 C:14 17.97 -11.46 C:17 20.47 -10.03 34 1 -2 35 2 -2 36 3 -1 4 28 2 5 25 1 30 6 -2 33 7 -2 33 8 -1 37 9 -1 38 10 -1 11 26 2 12 27 2 13 26 1 14 27 1 31 15 -2 16 17 1 16 29 2 17 34 1 18 22 1 18 30 1 19 20 1 19 32 1 20 37 1 21 23 1 21 35 1 22 40 1 23 38 1 24 31 1 24 39 1 32 25 -1 39 26 -2 40 27 -1 28 30 1 28 36 1 29 36 1 29 39 1 31 40 1 32 33 1 33 35 1 34 37 1 34 38 1 35 37 1 36 40 1 38 39 1', '40 44 H 15.51 -12.50 H 14.28 -14.70 H 19.21 -10.53 C 17.97 -7.18 C 9.39 -13.55 C 20.47 -5.72 C 13.87 -15.50 C 12.13 -15.50 C 14.28 -10.74 C 16.75 -10.74 O 18.67 -14.06 O 21.66 -12.14 O 17.27 -14.06 O 22.86 -10.03 O 21.08 -12.73 C 16.75 -9.31 C 15.51 -10.03 C 21.62 -7.87 C 11.83 -12.19 C 13.06 -11.46 C 15.51 -14.25 C 21.62 -9.31 C 16.75 -13.55 C 19.21 -12.19 O 10.61 -14.25 C 17.97 -12.88 C 21.66 -10.74 C 19.21 -7.87 C 17.97 -10.03 C 20.47 -7.18 C 20.47 -11.46 C 11.83 -13.55 C 13.06 -14.25 C 15.51 -11.46 C 14.28 -13.55 C 19.21 -9.31 C 14.28 -12.19 C 16.75 -12.19 C 17.97 -11.46 C 20.47 -10.03 34 1 -2 35 2 -2 36 3 -1 4 28 2 5 25 1 30 6 -2 33 7 -2 33 8 -1 37 9 -1 38 10 -1 11 26 2 12 27 2 13 26 1 14 27 1 31 15 -2 16 17 1 16 29 2 17 34 1 18 22 1 18 30 1 19 20 1 19 32 1 20 37 1 21 23 1 21 35 1 22 40 1 23 38 1 24 31 1 24 39 1 32 25 -1 39 26 -2 40 27 -1 28 30 1 28 36 1 29 36 1 29 39 1 31 40 1 32 33 1 33 35 1 34 37 1 34 38 1 35 37 1 36 40 1 38 39 1', '40 44 H 15.51 -12.50 H 14.28 -14.70 H 19.21 -10.53 C:108 17.97 -7.18 C:56 9.39 -13.55 C:21 20.47 -5.72 C:29 13.87 -15.50 C:17 12.13 -15.50 C:17 14.28 -10.74 C:18 16.75 -10.74 O 18.67 -14.06 O 21.66 -12.14 O 17.27 -14.06 O 22.86 -10.03 O 21.08 -12.73 C:129 16.75 -9.31 C:24 15.51 -10.03 C:33 21.62 -7.87 C:27 11.83 -12.19 C:40 13.06 -11.46 C:19 15.51 -14.25 C:38 21.62 -9.31 C:32 16.75 -13.55 C:37 19.21 -12.19 O 10.61 -14.25 C:180 17.97 -12.88 C:182 21.66 -10.74 C:153 19.21 -7.87 C:135 17.97 -10.03 C:38 20.47 -7.18 C:79 20.47 -11.46 C:91 11.83 -13.55 C:39 13.06 -14.25 C:48 15.51 -11.46 C:57 14.28 -13.55 C:50 19.21 -9.31 C:38 14.28 -12.19 C:40 16.75 -12.19 C:58 17.97 -11.46 C:49 20.47 -10.03 34 1 -2 35 2 -2 36 3 -1 4 28 2 5 25 1 30 6 -2 33 7 -2 33 8 -1 37 9 -1 38 10 -1 11 26 2 12 27 2 13 26 1 14 27 1 31 15 -2 16 17 1 16 29 2 17 34 1 18 22 1 18 30 1 19 20 1 19 32 1 20 37 1 21 23 1 21 35 1 22 40 1 23 38 1 24 31 1 24 39 1 32 25 -1 39 26 -2 40 27 -1 28 30 1 28 36 1 29 36 1 29 39 1 31 40 1 32 33 1 33 35 1 34 37 1 34 38 1 35 37 1 36 40 1 38 39 1', 'C31H46O6', 514.352, 'M', 'ph45_1035_3', 3367, '', '', '1', 1, NULL, NULL),
(13050, 'Mussaendosidcs V', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]45[CH2:11][CH:12]=[C:13]2[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]3([C:28](=O)O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@:5]6([H])[C@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]6([CH3:23])[C:24](=O)O[C@@H:101]7O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]7O', '[H][C@]45CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@]6([H])[C@]5(C)CC[C@H](O)[C@]6(C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O', 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(13063, 'Uprolide K', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:1]23[CH2:2][C@@H:3]1O[C@:4]1([CH3:18])[CH2:5][CH:6]=[CH:7][C@@:8]([CH3:19])(O)[CH2:9][CH2:10][CH2:11][C@@H:12]([CH3:20])[C:13](=O)[C@@H:14]2O[C:16](=O)[C:15]3=[CH2:17]', '[H][C@@]23C[C@@H]1O[C@]1(C)CC=C[C@@](C)(O)CCC[C@@H](C)C(=O)[C@@H]2OC(=O)C3=C', '[H][C@@:41]23[CH2:29][C@@H:56]1O[C@:60]1([CH3:19])[CH2:39][CH:123]=[CH:142][C@@:73]([CH3:29])(O)[CH2:42][CH2:22][CH2:30][C@@H:43]([CH3:19])[C:211](=O)[C@@H:80]2O[C:169](=O)[C:138]3=[CH2:123]', '26 28 H 18.71 -12.23 C:17 21.12 -11.92 C:20 15.01 -13.35 C:19 11.83 -6.48 C:18 18.71 -6.95 O 19.88 -14.64 O 16.24 -9.81 O 11.14 -7.68 C:6 15.01 -7.68 C:7 13.78 -6.95 C:10 13.78 -9.81 C:5 16.24 -6.95 C:11 13.78 -11.21 C:9 12.54 -9.09 C:2 18.71 -9.81 O 17.77 -13.28 O 18.71 -8.37 C:15 19.72 -12.16 C:16 19.16 -13.41 C:13 16.24 -11.21 C:12 15.01 -11.92 C:3 17.48 -9.09 C:14 17.48 -11.92 C:8 12.54 -7.68 C:1 18.71 -11.21 C:4 17.48 -7.68 25 1 -2 2 18 2 21 3 -2 24 4 -1 26 5 -2 6 19 2 7 20 2 24 8 -2 9 10 2 9 12 1 10 24 1 11 13 1 11 14 1 12 26 1 13 21 1 14 24 1 15 22 1 15 25 1 16 19 1 23 16 -1 22 17 -1 17 26 1 18 19 1 18 25 1 20 21 1 20 23 1 22 26 1 23 25 1', '26 28 H 18.71 -12.23 C 21.12 -11.92 C 15.01 -13.35 C 11.83 -6.48 C 18.71 -6.95 O 19.88 -14.64 O 16.24 -9.81 O 11.14 -7.68 C 15.01 -7.68 C 13.78 -6.95 C 13.78 -9.81 C 16.24 -6.95 C 13.78 -11.21 C 12.54 -9.09 C 18.71 -9.81 O 17.77 -13.28 O 18.71 -8.37 C 19.72 -12.16 C 19.16 -13.41 C 16.24 -11.21 C 15.01 -11.92 C 17.48 -9.09 C 17.48 -11.92 C 12.54 -7.68 C 18.71 -11.21 C 17.48 -7.68 25 1 -2 2 18 2 21 3 -2 24 4 -1 26 5 -2 6 19 2 7 20 2 24 8 -2 9 10 2 9 12 1 10 24 1 11 13 1 11 14 1 12 26 1 13 21 1 14 24 1 15 22 1 15 25 1 16 19 1 23 16 -1 22 17 -1 17 26 1 18 19 1 18 25 1 20 21 1 20 23 1 22 26 1 23 25 1', '26 28 H 18.71 -12.23 C:123 21.12 -11.92 C:19 15.01 -13.35 C:29 11.83 -6.48 C:19 18.71 -6.95 O 19.88 -14.64 O 16.24 -9.81 O 11.14 -7.68 C:123 15.01 -7.68 C:142 13.78 -6.95 C:22 13.78 -9.81 C:39 16.24 -6.95 C:30 13.78 -11.21 C:42 12.54 -9.09 C:29 18.71 -9.81 O 17.77 -13.28 O 18.71 -8.37 C:138 19.72 -12.16 C:169 19.16 -13.41 C:211 16.24 -11.21 C:43 15.01 -11.92 C:56 17.48 -9.09 C:80 17.48 -11.92 C:73 12.54 -7.68 C:41 18.71 -11.21 C:60 17.48 -7.68 25 1 -2 2 18 2 21 3 -2 24 4 -1 26 5 -2 6 19 2 7 20 2 24 8 -2 9 10 2 9 12 1 10 24 1 11 13 1 11 14 1 12 26 1 13 21 1 14 24 1 15 22 1 15 25 1 16 19 1 23 16 -1 22 17 -1 17 26 1 18 19 1 18 25 1 20 21 1 20 23 1 22 26 1 23 25 1', 'C20H28O5', 348.219, 'C', 'np02_1232_7', 3372, '', '', '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
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(13081, '', '3,14-Epoxy-1(E),7(E),11(E)-cembratriene-14, 15-diol', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]1=[CH:7][CH2:6][CH2:5][C@:4]([CH3:18])(O)[C@H:3]2[CH:2]=[C:1]([C:15]([CH3:17])([CH3:16])O)[C@@H:14]([CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9]1)O2', 'CC1=CCC[C@](C)(O)[C@H]2C=C(C(C)(C)O)[C@@H](CC(C)=CCC1)O2', '[CH3:16][C:133]1=[CH:128][CH2:25][CH2:39][C@:75]([CH3:24])(O)[C@H:83]2[CH:123]=[C:152]([C:70]([CH3:31])([CH3:31])O)[C@@H:86]([CH2:46][C:131]([CH3:17])=[CH:130][CH2:22][CH2:39]1)O2', '23 24 C:19 14.24 -6.08 C:20 13.03 -12.33 C:17 19.06 -14.41 C:16 16.65 -14.41 C:18 19.22 -9.26 O 17.86 -15.11 O 18.71 -8.46 C:11 14.24 -10.25 C:7 15.44 -8.16 C:2 19.06 -11.64 C:10 13.03 -9.55 C:6 16.65 -7.47 C:9 13.03 -8.16 C:5 17.86 -8.16 C:13 15.44 -12.33 O 17.36 -10.54 C:8 14.24 -7.47 C:12 14.24 -11.64 C:1 17.86 -12.33 C:14 16.65 -11.64 C:3 19.06 -10.25 C:15 17.86 -13.73 C:4 17.86 -9.55 1 17 1 2 18 1 3 22 1 4 22 1 23 5 -1 6 22 1 23 7 -2 8 11 1 8 18 2 9 12 1 9 17 2 10 19 2 10 21 1 11 13 1 12 14 1 13 17 1 14 23 1 15 18 1 15 20 1 20 16 -1 21 16 -1 19 20 1 19 22 1 21 23 1', '23 24 C 14.24 -6.08 C 13.03 -12.33 C 19.06 -14.41 C 16.65 -14.41 C 19.22 -9.26 O 17.86 -15.11 O 18.71 -8.46 C 14.24 -10.25 C 15.44 -8.16 C 19.06 -11.64 C 13.03 -9.55 C 16.65 -7.47 C 13.03 -8.16 C 17.86 -8.16 C 15.44 -12.33 O 17.36 -10.54 C 14.24 -7.47 C 14.24 -11.64 C 17.86 -12.33 C 16.65 -11.64 C 19.06 -10.25 C 17.86 -13.73 C 17.86 -9.55 1 17 1 2 18 1 3 22 1 4 22 1 23 5 -1 6 22 1 23 7 -2 8 11 1 8 18 2 9 12 1 9 17 2 10 19 2 10 21 1 11 13 1 12 14 1 13 17 1 14 23 1 15 18 1 15 20 1 20 16 -1 21 16 -1 19 20 1 19 22 1 21 23 1', '23 24 C:16 14.24 -6.08 C:17 13.03 -12.33 C:31 19.06 -14.41 C:31 16.65 -14.41 C:24 19.22 -9.26 O 17.86 -15.11 O 18.71 -8.46 C:130 14.24 -10.25 C:128 15.44 -8.16 C:123 19.06 -11.64 C:22 13.03 -9.55 C:25 16.65 -7.47 C:39 13.03 -8.16 C:39 17.86 -8.16 C:46 15.44 -12.33 O 17.36 -10.54 C:133 14.24 -7.47 C:131 14.24 -11.64 C:152 17.86 -12.33 C:86 16.65 -11.64 C:83 19.06 -10.25 C:70 17.86 -13.73 C:75 17.86 -9.55 1 17 1 2 18 1 3 22 1 4 22 1 23 5 -1 6 22 1 23 7 -2 8 11 1 8 18 2 9 12 1 9 17 2 10 19 2 10 21 1 11 13 1 12 14 1 13 17 1 14 23 1 15 18 1 15 20 1 20 16 -1 21 16 -1 19 20 1 19 22 1 21 23 1', 'C20H32O3', 320.212, 'C', 'np96_595_4', 3376, '', '', '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
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