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
(18030, '', '8β-hydroxyeremophil-7(11)-en-12,8α(14β,6α)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]23[CH2:1][CH2:2][CH2:3][C@:4]4([H])[C:15](=O)O[C@@:6]([H])([C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@@:8]1(O)[CH2:9]2)[C@@:5]34[CH3:14]', '[H][C@@]23CCC[C@]4([H])C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1(O)C2)[C@@]34C', '[H][C@@:36]23[CH2:20][CH2:21][CH2:25][C@:41]4([H])[C:176](=O)O[C@@:83]([H])([C:154]1=[C:126]([CH3:99])[C:172](=O)O[C@@:104]1(O)[CH2:37]2)[C@@:45]34[CH3:20]', '23 26 H 15.50 -8.58 H 14.23 -10.89 H 16.75 -10.89 C:13 19.74 -12.91 C:14 15.50 -12.58 O 21.54 -10.45 O 13.75 -14.48 O 17.98 -8.34 C:2 12.99 -9.73 C:1 14.23 -9.00 C:3 12.99 -11.16 C:9 16.75 -9.00 O 19.29 -9.30 O 16.35 -13.40 C:11 19.29 -11.58 C:12 20.13 -10.45 C:15 14.66 -13.40 C:7 17.98 -11.16 C:10 15.50 -9.73 C:4 14.23 -11.87 C:6 16.75 -11.87 C:8 17.98 -9.73 C:5 15.50 -11.16 19 1 -1 20 2 -2 21 3 -1 4 15 1 23 5 -1 6 16 2 7 17 2 22 8 -1 9 10 1 9 11 1 10 19 1 11 20 1 12 19 1 12 22 1 13 16 1 13 22 1 14 17 1 14 21 1 15 16 1 15 18 2 17 20 1 18 21 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 15.50 -8.58 H 14.23 -10.89 H 16.75 -10.89 C 19.74 -12.91 C 15.50 -12.58 O 21.54 -10.45 O 13.75 -14.48 O 17.98 -8.34 C 12.99 -9.73 C 14.23 -9.00 C 12.99 -11.16 C 16.75 -9.00 O 19.29 -9.30 O 16.35 -13.40 C 19.29 -11.58 C 20.13 -10.45 C 14.66 -13.40 C 17.98 -11.16 C 15.50 -9.73 C 14.23 -11.87 C 16.75 -11.87 C 17.98 -9.73 C 15.50 -11.16 19 1 -1 20 2 -2 21 3 -1 4 15 1 23 5 -1 6 16 2 7 17 2 22 8 -1 9 10 1 9 11 1 10 19 1 11 20 1 12 19 1 12 22 1 13 16 1 13 22 1 14 17 1 14 21 1 15 16 1 15 18 2 17 20 1 18 21 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 15.50 -8.58 H 14.23 -10.89 H 16.75 -10.89 C:9 19.74 -12.91 C:20 15.50 -12.58 O 21.54 -10.45 O 13.75 -14.48 O 17.98 -8.34 C:21 12.99 -9.73 C:20 14.23 -9.00 C:25 12.99 -11.16 C:37 16.75 -9.00 O 19.29 -9.30 O 16.35 -13.40 C:126 19.29 -11.58 C:172 20.13 -10.45 C:176 14.66 -13.40 C:154 17.98 -11.16 C:36 15.50 -9.73 C:41 14.23 -11.87 C:83 16.75 -11.87 C:104 17.98 -9.73 C:45 15.50 -11.16 19 1 -1 20 2 -2 21 3 -1 4 15 1 23 5 -1 6 16 2 7 17 2 22 8 -1 9 10 1 9 11 1 10 19 1 11 20 1 12 19 1 12 22 1 13 16 1 13 22 1 14 17 1 14 21 1 15 16 1 15 18 2 17 20 1 18 21 1 18 22 1 19 23 1 20 23 1 21 23 1', 'C15H18O5', 278.181, 'C', 'npr06_724_1', 4540, '', '', '1', 1, NULL, NULL),
(18031, '', '8β-methoxyeremophil-7(11)-en-12,8α-(14β,6α)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]23[CH2:1][CH2:2][CH2:3][C@:4]4([H])[C:15](=O)O[C@@:6]([H])([C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@@:8]1(O[CH3:8001])[CH2:9]2)[C@@:5]34[CH3:14]', '[H][C@@]23CCC[C@]4([H])C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1(OC)C2)[C@@]34C', '[H][C@@:35]23[CH2:19][CH2:21][CH2:24][C@:41]4([H])[C:175](=O)O[C@@:83]([H])([C:151]1=[C:129]([CH3:99])[C:170](=O)O[C@@:106]1(O[CH3:51])[CH2:35]2)[C@@:45]34[CH3:20]', '24 27 H 15.51 -8.92 H 14.24 -11.23 H 16.76 -11.23 C:8001 19.20 -7.98 C:13 19.75 -13.26 C:14 15.51 -12.93 O 21.55 -10.79 O 13.76 -14.82 C:2 13.00 -10.07 C:1 14.24 -9.34 C:3 13.00 -11.50 C:9 16.76 -9.34 O 17.99 -8.68 O 19.30 -9.64 O 16.36 -13.74 C:11 19.30 -11.93 C:12 20.14 -10.79 C:15 14.67 -13.74 C:7 17.99 -11.50 C:10 15.51 -10.07 C:4 14.24 -12.22 C:6 16.76 -12.22 C:8 17.99 -10.07 C:5 15.51 -11.50 20 1 -1 21 2 -2 22 3 -1 4 13 1 5 16 1 24 6 -1 7 17 2 8 18 2 9 10 1 9 11 1 10 20 1 11 21 1 12 20 1 12 23 1 23 13 -1 14 17 1 14 23 1 15 18 1 15 22 1 16 17 1 16 19 2 18 21 1 19 22 1 19 23 1 20 24 1 21 24 1 22 24 1', '24 27 H 15.51 -8.92 H 14.24 -11.23 H 16.76 -11.23 C 19.20 -7.98 C 19.75 -13.26 C 15.51 -12.93 O 21.55 -10.79 O 13.76 -14.82 C 13.00 -10.07 C 14.24 -9.34 C 13.00 -11.50 C 16.76 -9.34 O 17.99 -8.68 O 19.30 -9.64 O 16.36 -13.74 C 19.30 -11.93 C 20.14 -10.79 C 14.67 -13.74 C 17.99 -11.50 C 15.51 -10.07 C 14.24 -12.22 C 16.76 -12.22 C 17.99 -10.07 C 15.51 -11.50 20 1 -1 21 2 -2 22 3 -1 4 13 1 5 16 1 24 6 -1 7 17 2 8 18 2 9 10 1 9 11 1 10 20 1 11 21 1 12 20 1 12 23 1 23 13 -1 14 17 1 14 23 1 15 18 1 15 22 1 16 17 1 16 19 2 18 21 1 19 22 1 19 23 1 20 24 1 21 24 1 22 24 1', '24 27 H 15.51 -8.92 H 14.24 -11.23 H 16.76 -11.23 C:51 19.20 -7.98 C:9 19.75 -13.26 C:20 15.51 -12.93 O 21.55 -10.79 O 13.76 -14.82 C:21 13.00 -10.07 C:19 14.24 -9.34 C:24 13.00 -11.50 C:35 16.76 -9.34 O 17.99 -8.68 O 19.30 -9.64 O 16.36 -13.74 C:129 19.30 -11.93 C:170 20.14 -10.79 C:175 14.67 -13.74 C:151 17.99 -11.50 C:35 15.51 -10.07 C:41 14.24 -12.22 C:83 16.76 -12.22 C:106 17.99 -10.07 C:45 15.51 -11.50 20 1 -1 21 2 -2 22 3 -1 4 13 1 5 16 1 24 6 -1 7 17 2 8 18 2 9 10 1 9 11 1 10 20 1 11 21 1 12 20 1 12 23 1 23 13 -1 14 17 1 14 23 1 15 18 1 15 22 1 16 17 1 16 19 2 18 21 1 19 22 1 19 23 1 20 24 1 21 24 1 22 24 1', 'C16H20O5', 292.192, 'C', 'npr06_724_2', 4540, 'cnc07_746_3', 'identicos', '1', 1, NULL, NULL),
(18032, '', '8β-ethoxyeremophil-7(11)-en-12,8α(14β,6α)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]23[CH2:1][CH2:2][CH2:3][C@:4]4([H])[C:15](=O)O[C@@:6]([H])([C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@@:8]1(O[CH2:8001][CH3:8002])[CH2:9]2)[C@@:5]34[CH3:14]', '[H][C@@]23CCC[C@]4([H])C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1(OCC)C2)[C@@]34C', '[H][C@@:35]23[CH2:19][CH2:21][CH2:24][C@:41]4([H])[C:175](=O)O[C@@:83]([H])([C:152]1=[C:129]([CH3:9])[C:170](=O)O[C@@:105]1(O[CH2:58][CH3:15])[CH2:36]2)[C@@:45]34[CH3:20]', '25 28 H 15.47 -9.64 H 14.20 -11.93 H 16.72 -11.93 C:8002 19.16 -7.30 C:13 19.71 -13.96 C:14 15.47 -13.63 O 21.50 -11.50 O 13.72 -15.52 C:8001 19.16 -8.70 C:2 12.96 -10.78 C:1 14.20 -10.05 C:3 12.96 -12.20 C:9 16.72 -10.05 O 17.95 -9.40 O 16.32 -14.44 O 19.26 -10.35 C:11 19.26 -12.63 C:12 20.10 -11.50 C:15 14.63 -14.44 C:7 17.95 -12.20 C:10 15.47 -10.78 C:4 14.20 -12.92 C:6 16.72 -12.92 C:8 17.95 -10.78 C:5 15.47 -12.20 21 1 -1 22 2 -2 23 3 -1 4 9 1 5 17 1 25 6 -1 7 18 2 8 19 2 9 14 1 10 11 1 10 12 1 11 21 1 12 22 1 13 21 1 13 24 1 24 14 -1 15 19 1 15 23 1 16 18 1 16 24 1 17 18 1 17 20 2 19 22 1 20 23 1 20 24 1 21 25 1 22 25 1 23 25 1', '25 28 H 15.47 -9.64 H 14.20 -11.93 H 16.72 -11.93 C 19.16 -7.30 C 19.71 -13.96 C 15.47 -13.63 O 21.50 -11.50 O 13.72 -15.52 C 19.16 -8.70 C 12.96 -10.78 C 14.20 -10.05 C 12.96 -12.20 C 16.72 -10.05 O 17.95 -9.40 O 16.32 -14.44 O 19.26 -10.35 C 19.26 -12.63 C 20.10 -11.50 C 14.63 -14.44 C 17.95 -12.20 C 15.47 -10.78 C 14.20 -12.92 C 16.72 -12.92 C 17.95 -10.78 C 15.47 -12.20 21 1 -1 22 2 -2 23 3 -1 4 9 1 5 17 1 25 6 -1 7 18 2 8 19 2 9 14 1 10 11 1 10 12 1 11 21 1 12 22 1 13 21 1 13 24 1 24 14 -1 15 19 1 15 23 1 16 18 1 16 24 1 17 18 1 17 20 2 19 22 1 20 23 1 20 24 1 21 25 1 22 25 1 23 25 1', '25 28 H 15.47 -9.64 H 14.20 -11.93 H 16.72 -11.93 C:15 19.16 -7.30 C:9 19.71 -13.96 C:20 15.47 -13.63 O 21.50 -11.50 O 13.72 -15.52 C:58 19.16 -8.70 C:21 12.96 -10.78 C:19 14.20 -10.05 C:24 12.96 -12.20 C:36 16.72 -10.05 O 17.95 -9.40 O 16.32 -14.44 O 19.26 -10.35 C:129 19.26 -12.63 C:170 20.10 -11.50 C:175 14.63 -14.44 C:152 17.95 -12.20 C:35 15.47 -10.78 C:41 14.20 -12.92 C:83 16.72 -12.92 C:105 17.95 -10.78 C:45 15.47 -12.20 21 1 -1 22 2 -2 23 3 -1 4 9 1 5 17 1 25 6 -1 7 18 2 8 19 2 9 14 1 10 11 1 10 12 1 11 21 1 12 22 1 13 21 1 13 24 1 24 14 -1 15 19 1 15 23 1 16 18 1 16 24 1 17 18 1 17 20 2 19 22 1 20 23 1 20 24 1 21 25 1 22 25 1 23 25 1', 'C17H22O5', 306.203, 'C', 'npr06_724_3', 4540, '', '', '1', 1, NULL, NULL),
(18033, '', '7α,8α-epoxyeremophilan-12β,8β(14β,6α)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@:10]14[CH2:1][CH2:2][CH2:3][C@:4]2([H])[C:15](=O)O[C@:6]([H])([C@@:5]12[CH3:14])[C@@:7]35O[C@:8]3([CH2:9]4)O[C:12](=O)[C@H:11]5[CH3:13]', '[H][C@]14CCC[C@]2([H])C(=O)O[C@]([H])([C@@]12C)[C@@]35O[C@]3(C4)OC(=O)[C@H]5C', '[H][C@:33]14[CH2:24][CH2:20][CH2:19][C@:39]2([H])[C:175](=O)O[C@:78]([H])([C@@:40]12[CH3:20])[C@@:62]35O[C@:87]3([CH2:22]4)O[C:175](=O)[C@H:38]5[CH3:10]', '23 27 H 15.49 -8.48 H 14.22 -10.77 H 16.75 -10.87 C:13 19.73 -12.81 C:14 15.49 -12.48 O 21.53 -10.33 O 13.74 -14.37 C:2 12.98 -9.62 C:1 14.22 -8.89 C:3 12.98 -11.04 C:9 16.75 -8.89 O 16.34 -13.29 O 19.28 -9.19 O 16.75 -10.33 C:12 20.12 -10.33 C:15 14.65 -13.29 C:11 19.28 -11.48 C:10 15.49 -9.62 C:4 14.22 -11.77 C:6 16.75 -11.77 C:8 17.97 -9.62 C:5 15.49 -11.04 C:7 17.97 -11.04 18 1 -1 19 2 -2 20 3 -1 17 4 -1 22 5 -1 6 15 2 7 16 2 8 9 1 8 10 1 9 18 1 10 19 1 11 18 1 11 21 1 12 16 1 12 20 1 13 15 1 13 21 1 21 14 -2 23 14 -2 15 17 1 16 19 1 17 23 1 18 22 1 19 22 1 20 22 1 20 23 1 21 23 1', '23 27 H 15.49 -8.48 H 14.22 -10.77 H 16.75 -10.87 C 19.73 -12.81 C 15.49 -12.48 O 21.53 -10.33 O 13.74 -14.37 C 12.98 -9.62 C 14.22 -8.89 C 12.98 -11.04 C 16.75 -8.89 O 16.34 -13.29 O 19.28 -9.19 O 16.75 -10.33 C 20.12 -10.33 C 14.65 -13.29 C 19.28 -11.48 C 15.49 -9.62 C 14.22 -11.77 C 16.75 -11.77 C 17.97 -9.62 C 15.49 -11.04 C 17.97 -11.04 18 1 -1 19 2 -2 20 3 -1 17 4 -1 22 5 -1 6 15 2 7 16 2 8 9 1 8 10 1 9 18 1 10 19 1 11 18 1 11 21 1 12 16 1 12 20 1 13 15 1 13 21 1 21 14 -2 23 14 -2 15 17 1 16 19 1 17 23 1 18 22 1 19 22 1 20 22 1 20 23 1 21 23 1', '23 27 H 15.49 -8.48 H 14.22 -10.77 H 16.75 -10.87 C:10 19.73 -12.81 C:20 15.49 -12.48 O 21.53 -10.33 O 13.74 -14.37 C:20 12.98 -9.62 C:24 14.22 -8.89 C:19 12.98 -11.04 C:22 16.75 -8.89 O 16.34 -13.29 O 19.28 -9.19 O 16.75 -10.33 C:175 20.12 -10.33 C:175 14.65 -13.29 C:38 19.28 -11.48 C:33 15.49 -9.62 C:39 14.22 -11.77 C:78 16.75 -11.77 C:87 17.97 -9.62 C:40 15.49 -11.04 C:62 17.97 -11.04 18 1 -1 19 2 -2 20 3 -1 17 4 -1 22 5 -1 6 15 2 7 16 2 8 9 1 8 10 1 9 18 1 10 19 1 11 18 1 11 21 1 12 16 1 12 20 1 13 15 1 13 21 1 21 14 -2 23 14 -2 15 17 1 16 19 1 17 23 1 18 22 1 19 22 1 20 22 1 20 23 1 21 23 1', 'C15H18O5', 278.181, 'C', 'npr06_724_4', 4540, '', '', '1', 1, NULL, NULL),
(18034, '', '8,8’-bi-3β-angeloyloxy-eremophil-7(11)-en-12,8α(14β,6α)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:110]68[CH2:101][CH2:102][C@H:103](O[C:103001](=O)[C:103002]([CH3:103005])=[CH:103003][CH3:103004])[C@@H:104]7[C:115](=O)O[C@@:106]([H])([C:107]1=[C:111]([CH3:113])[C:112](=O)O[C@@:108]1([C@:8]23[CH2:9][C@@:10]4([H])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[C:3002]([CH3:3201])=[CH:3003][CH3:3004])[C@:4]5([H])[C:15](=O)O[C@@:6]([H])([C:7]2=[C:11]([CH3:13])[C:12](=O)O3)[C@@:5]45[CH3:14])[CH2:109]6)[C@:105]78[CH3:114]', '[H][C@@]68CC[C@H](OC(=O)C(C)=CC)[C@@H]7C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1([C@]23C[C@@]4([H])CC[C@H](OC(=O)C(C)=CC)[C@]5([H])C(=O)O[C@@]([H])(C2=C(C)C(=O)O3)[C@@]45C)C6)[C@]78C', '[H][C@@:34]68[CH2:21][CH2:25][C@H:64](O[C:164](=O)[C:130]([CH3:16])=[CH:140][CH3:21])[C@@H:43]7[C:171](=O)O[C@@:84]([H])([C:156]1=[C:127]([CH3:10])[C:171](=O)O[C@@:88]1([C@:88]23[CH2:35][C@@:34]4([H])[CH2:21][CH2:25][C@H:64](O[C:164](=O)[C:130]([CH3:16])=[CH:140][CH3:21])[C@:43]5([H])[C:171](=O)O[C@@:84]([H])([C:156]2=[C:127]([CH3:10])[C:171](=O)O3)[C@@:45]45[CH3:23])[CH2:35]6)[C@:45]78[CH3:23]', '57 64 H 19.61 -11.40 H 14.80 -11.60 H 18.40 -8.88 H 16.03 -13.86 H 13.55 -13.86 C:103004 26.90 -10.12 C:3004 7.60 -12.74 C:103005 25.72 -6.60 C:3201 8.81 -16.18 C:113 15.48 -6.82 C:13 18.93 -15.82 C:114 19.61 -7.42 C:14 14.80 -15.51 O 24.49 -10.08 O 9.96 -12.74 O 13.65 -9.30 O 20.70 -13.44 O 21.45 -5.43 O 13.09 -17.37 C:103003 26.90 -8.72 C:3003 7.60 -14.13 C:102 22.04 -10.00 C:2 12.33 -12.70 C:101 20.82 -10.69 C:1 13.55 -11.99 C:109 18.40 -10.61 C:9 16.03 -11.99 O 23.26 -7.93 O 11.16 -14.80 O 19.10 -6.39 O 15.66 -16.30 O 15.90 -10.41 O 18.50 -12.28 C:103002 25.72 -7.98 C:3002 8.81 -14.80 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(18048, '', '3β-acetoxy-8-oxoeremophil-6(7),9(10)-dien-12-oic methylester', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:12001]O[C:12](=O)[CH:11]([CH3:13])[C:7]1=[CH:6][C@@:5]2([CH3:14])[C:10](=[CH:9][C:8]1=O)[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@H:4]2[CH3:15]', 'COC(=O)C(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](OC(C)=O)[C@@H]2C', '[CH3:52]O[C:178](=O)[CH:38]([CH3:17])[C:137]1=[CH:150][C@@:43]2([CH3:20])[C:167](=[CH:124][C:185]1=O)[CH2:28][CH2:33][C@H:73](O[C:171]([CH3:21])=O)[C@@H:43]2[CH3:12]', '23 24 C:12001 23.92 -11.41 C:3002 10.60 -12.10 C:13 20.28 -13.52 C:15 15.42 -13.52 C:14 16.64 -12.82 O 11.79 -10.01 O 20.28 -9.31 O 21.50 -10.01 C:9 17.85 -9.31 C:6 17.85 -12.10 C:1 15.42 -9.31 C:2 14.20 -10.01 O 22.70 -12.10 O 13.00 -12.10 C:3001 11.79 -11.41 C:8 19.06 -10.01 C:12 21.50 -11.41 C:10 16.64 -10.01 C:7 19.06 -11.41 C:11 20.28 -12.10 C:4 15.42 -12.10 C:3 14.20 -11.41 C:5 16.64 -11.41 1 13 1 2 15 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 16 2 8 17 2 9 16 1 9 18 2 10 19 2 10 23 1 11 12 1 11 18 1 12 22 1 13 17 1 14 15 1 22 14 -1 16 19 1 17 20 1 18 23 1 19 20 1 21 22 1 21 23 1', '23 24 C 23.92 -11.41 C 10.60 -12.10 C 20.28 -13.52 C 15.42 -13.52 C 16.64 -12.82 O 11.79 -10.01 O 20.28 -9.31 O 21.50 -10.01 C 17.85 -9.31 C 17.85 -12.10 C 15.42 -9.31 C 14.20 -10.01 O 22.70 -12.10 O 13.00 -12.10 C 11.79 -11.41 C 19.06 -10.01 C 21.50 -11.41 C 16.64 -10.01 C 19.06 -11.41 C 20.28 -12.10 C 15.42 -12.10 C 14.20 -11.41 C 16.64 -11.41 1 13 1 2 15 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 16 2 8 17 2 9 16 1 9 18 2 10 19 2 10 23 1 11 12 1 11 18 1 12 22 1 13 17 1 14 15 1 22 14 -1 16 19 1 17 20 1 18 23 1 19 20 1 21 22 1 21 23 1', '23 24 C:52 23.92 -11.41 C:21 10.60 -12.10 C:17 20.28 -13.52 C:12 15.42 -13.52 C:20 16.64 -12.82 O 11.79 -10.01 O 20.28 -9.31 O 21.50 -10.01 C:124 17.85 -9.31 C:150 17.85 -12.10 C:28 15.42 -9.31 C:33 14.20 -10.01 O 22.70 -12.10 O 13.00 -12.10 C:171 11.79 -11.41 C:185 19.06 -10.01 C:178 21.50 -11.41 C:167 16.64 -10.01 C:137 19.06 -11.41 C:38 20.28 -12.10 C:43 15.42 -12.10 C:73 14.20 -11.41 C:43 16.64 -11.41 1 13 1 2 15 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 16 2 8 17 2 9 16 1 9 18 2 10 19 2 10 23 1 11 12 1 11 18 1 12 22 1 13 17 1 14 15 1 22 14 -1 16 19 1 17 20 1 18 23 1 19 20 1 21 22 1 21 23 1', 'C18H24O5', 320.19, 'C', 'pm09_635_6', 4546, '', '', '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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(18050, 'BerkleasminA', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:7]34[CH2:6][C@:5]1([CH3:14])[C@@H:4]([CH3:15])[CH2:3][CH2:2][C@@H:1](O[C:101](=O)[C@H:102]([CH3:113])[C@H:103](O)[C:104]([CH3:114])=[CH:105][CH:106]([CH2:115]O)[CH2:107][CH2:108][CH2:109][CH2:110][CH2:111][CH3:112])[C@:10]12O[C@@H:9]2[C@:8]3(O)O[CH2:12][C:11]4=[CH2:13]', '[H][C@@]34C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)[C@H](O)C(C)=CC(CO)CCCCCC)[C@]12O[C@@H]2[C@]3(O)OCC4=C', '[H][C@@:45]34[CH2:37][C@:36]1([CH3:16])[C@@H:39]([CH3:15])[CH2:26][CH2:29][C@@H:75](O[C:175](=O)[C@H:43]([CH3:15])[C@H:79](O)[C:137]([CH3:13])=[CH:130][CH:41]([CH2:67]O)[CH2:31][CH2:27][CH2:29][CH2:32][CH2:23][CH3:14])[C@:63]12O[C@@H:62]2[C@:102]3(O)O[CH2:70][C:151]4=[CH2:104]', '38 41 H 25.28 -14.22 C:13 27.07 -14.97 C:112 7.00 -9.57 C:114 16.74 -11.00 C:15 21.66 -15.30 C:113 19.21 -11.05 C:14 22.90 -14.62 O 20.45 -7.53 O 13.13 -11.70 O 18.01 -7.53 O 25.28 -10.40 C:105 15.56 -8.90 C:111 8.24 -8.86 C:110 9.46 -9.57 C:109 10.67 -8.86 C:108 11.89 -9.60 C:115 14.34 -11.00 C:12 27.47 -12.50 C:107 13.13 -8.90 C:3 20.41 -13.19 C:2 20.41 -11.79 C:6 24.11 -13.92 O 26.64 -11.35 O 21.66 -9.65 O 22.90 -10.40 C:11 26.64 -13.63 C:104 16.74 -9.60 C:101 20.45 -8.93 C:4 21.66 -13.92 C:102 19.21 -9.65 C:106 14.34 -9.60 C:103 18.01 -8.93 C:1 21.66 -11.05 C:9 24.11 -11.05 C:7 25.28 -13.19 C:5 22.90 -13.19 C:8 25.28 -11.79 C:10 22.90 -11.79 35 1 -1 2 26 2 3 13 1 4 27 1 29 5 -1 30 6 -2 36 7 -1 8 28 2 9 17 1 32 10 -1 37 11 -1 12 27 2 12 31 1 13 14 1 14 15 1 15 16 1 16 19 1 17 31 1 18 23 1 18 26 1 19 31 1 20 21 1 20 29 1 21 33 1 22 35 1 22 36 1 23 37 1 24 28 1 33 24 -1 34 25 -2 38 25 -2 26 35 1 27 32 1 28 30 1 29 36 1 30 32 1 33 38 1 34 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 25.28 -14.22 C 27.07 -14.97 C 7.00 -9.57 C 16.74 -11.00 C 21.66 -15.30 C 19.21 -11.05 C 22.90 -14.62 O 20.45 -7.53 O 13.13 -11.70 O 18.01 -7.53 O 25.28 -10.40 C 15.56 -8.90 C 8.24 -8.86 C 9.46 -9.57 C 10.67 -8.86 C 11.89 -9.60 C 14.34 -11.00 C 27.47 -12.50 C 13.13 -8.90 C 20.41 -13.19 C 20.41 -11.79 C 24.11 -13.92 O 26.64 -11.35 O 21.66 -9.65 O 22.90 -10.40 C 26.64 -13.63 C 16.74 -9.60 C 20.45 -8.93 C 21.66 -13.92 C 19.21 -9.65 C 14.34 -9.60 C 18.01 -8.93 C 21.66 -11.05 C 24.11 -11.05 C 25.28 -13.19 C 22.90 -13.19 C 25.28 -11.79 C 22.90 -11.79 35 1 -1 2 26 2 3 13 1 4 27 1 29 5 -1 30 6 -2 36 7 -1 8 28 2 9 17 1 32 10 -1 37 11 -1 12 27 2 12 31 1 13 14 1 14 15 1 15 16 1 16 19 1 17 31 1 18 23 1 18 26 1 19 31 1 20 21 1 20 29 1 21 33 1 22 35 1 22 36 1 23 37 1 24 28 1 33 24 -1 34 25 -2 38 25 -2 26 35 1 27 32 1 28 30 1 29 36 1 30 32 1 33 38 1 34 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 25.28 -14.22 C:104 27.07 -14.97 C:14 7.00 -9.57 C:13 16.74 -11.00 C:15 21.66 -15.30 C:15 19.21 -11.05 C:16 22.90 -14.62 O 20.45 -7.53 O 13.13 -11.70 O 18.01 -7.53 O 25.28 -10.40 C:130 15.56 -8.90 C:23 8.24 -8.86 C:32 9.46 -9.57 C:29 10.67 -8.86 C:27 11.89 -9.60 C:67 14.34 -11.00 C:70 27.47 -12.50 C:31 13.13 -8.90 C:26 20.41 -13.19 C:29 20.41 -11.79 C:37 24.11 -13.92 O 26.64 -11.35 O 21.66 -9.65 O 22.90 -10.40 C:151 26.64 -13.63 C:137 16.74 -9.60 C:175 20.45 -8.93 C:39 21.66 -13.92 C:43 19.21 -9.65 C:41 14.34 -9.60 C:79 18.01 -8.93 C:75 21.66 -11.05 C:62 24.11 -11.05 C:45 25.28 -13.19 C:36 22.90 -13.19 C:102 25.28 -11.79 C:63 22.90 -11.79 35 1 -1 2 26 2 3 13 1 4 27 1 29 5 -1 30 6 -2 36 7 -1 8 28 2 9 17 1 32 10 -1 37 11 -1 12 27 2 12 31 1 13 14 1 14 15 1 15 16 1 16 19 1 17 31 1 18 23 1 18 26 1 19 31 1 20 21 1 20 29 1 21 33 1 22 35 1 22 36 1 23 37 1 24 28 1 33 24 -1 34 25 -2 38 25 -2 26 35 1 27 32 1 28 30 1 29 36 1 30 32 1 33 38 1 34 37 1 34 38 1 35 37 1 36 38 1', 'C30H48O7', 520.325, 'C', 'tt09_8808_1', 4547, '', '', '1', 1, NULL, NULL),
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(18065, '', '8β-Methoxyeremophil-3,7(11)-diene-8α,12(6α,15)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]24[CH2:1][CH2:2][CH:3]=[C:4]3[C:15](=O)O[C@@:6]([H])([C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@@:8]1(O[CH3:8001])[CH2:9]2)[C@:5]34[CH3:14]', '[H][C@@]24CCC=C3C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1(OC)C2)[C@]34C', '[H][C@@:33]24[CH2:21][CH2:22][CH:137]=[C:130]3[C:169](=O)O[C@@:82]([H])([C:152]1=[C:129]([CH3:9])[C:170](=O)O[C@@:105]1(O[CH3:51])[CH2:35]2)[C@:44]34[CH3:27]', '23 26 H 15.49 -8.99 H 16.72 -11.27 C:8001 19.15 -8.05 C:13 19.67 -13.27 C:14 15.49 -12.94 O 21.45 -10.84 O 13.76 -14.82 C:3 13.00 -11.54 C:2 13.00 -10.12 C:1 14.24 -9.41 C:9 16.72 -9.41 O 17.93 -8.75 O 16.33 -13.75 O 19.23 -9.70 C:11 19.23 -11.95 C:12 20.07 -10.84 C:15 14.66 -13.75 C:4 14.24 -12.24 C:7 17.93 -11.54 C:10 15.49 -10.12 C:6 16.72 -12.24 C:5 15.49 -11.54 C:8 17.93 -10.12 20 1 -1 21 2 -1 3 12 1 4 15 1 22 5 -1 6 16 2 7 17 2 8 9 1 8 18 2 9 10 1 10 20 1 11 20 1 11 23 1 23 12 -1 13 17 1 13 21 1 14 16 1 14 23 1 15 16 1 15 19 2 17 18 1 18 22 1 19 21 1 19 23 1 20 22 1 21 22 1', '23 26 H 15.49 -8.99 H 16.72 -11.27 C 19.15 -8.05 C 19.67 -13.27 C 15.49 -12.94 O 21.45 -10.84 O 13.76 -14.82 C 13.00 -11.54 C 13.00 -10.12 C 14.24 -9.41 C 16.72 -9.41 O 17.93 -8.75 O 16.33 -13.75 O 19.23 -9.70 C 19.23 -11.95 C 20.07 -10.84 C 14.66 -13.75 C 14.24 -12.24 C 17.93 -11.54 C 15.49 -10.12 C 16.72 -12.24 C 15.49 -11.54 C 17.93 -10.12 20 1 -1 21 2 -1 3 12 1 4 15 1 22 5 -1 6 16 2 7 17 2 8 9 1 8 18 2 9 10 1 10 20 1 11 20 1 11 23 1 23 12 -1 13 17 1 13 21 1 14 16 1 14 23 1 15 16 1 15 19 2 17 18 1 18 22 1 19 21 1 19 23 1 20 22 1 21 22 1', '23 26 H 15.49 -8.99 H 16.72 -11.27 C:51 19.15 -8.05 C:9 19.67 -13.27 C:27 15.49 -12.94 O 21.45 -10.84 O 13.76 -14.82 C:137 13.00 -11.54 C:22 13.00 -10.12 C:21 14.24 -9.41 C:35 16.72 -9.41 O 17.93 -8.75 O 16.33 -13.75 O 19.23 -9.70 C:129 19.23 -11.95 C:170 20.07 -10.84 C:169 14.66 -13.75 C:130 14.24 -12.24 C:152 17.93 -11.54 C:33 15.49 -10.12 C:82 16.72 -12.24 C:44 15.49 -11.54 C:105 17.93 -10.12 20 1 -1 21 2 -1 3 12 1 4 15 1 22 5 -1 6 16 2 7 17 2 8 9 1 8 18 2 9 10 1 10 20 1 11 20 1 11 23 1 23 12 -1 13 17 1 13 21 1 14 16 1 14 23 1 15 16 1 15 19 2 17 18 1 18 22 1 19 21 1 19 23 1 20 22 1 21 22 1', 'C16H18O5', 290.184, 'C', 'np07_241_2', 4549, '', 'ccl07_59_2', '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
(18066, '', '8β-Ethoxyeremophil-3,7(11)-diene-8α,12(6α,15)-diolide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]24[CH2:1][CH2:2][CH:3]=[C:4]3[C:15](=O)O[C@@:6]([H])([C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@@:8]1(O[CH2:8001][CH3:8002])[CH2:9]2)[C@:5]34[CH3:14]', '[H][C@@]24CCC=C3C(=O)O[C@@]([H])(C1=C(C)C(=O)O[C@@]1(OCC)C2)[C@]34C', '[H][C@@:33]24[CH2:22][CH2:22][CH:137]=[C:130]3[C:169](=O)O[C@@:82]([H])([C:153]1=[C:128]([CH3:9])[C:171](=O)O[C@@:105]1(O[CH2:59][CH3:15])[CH2:36]2)[C@:44]34[CH3:27]', '24 27 H 15.49 -9.66 H 16.72 -11.94 C:8002 19.15 -7.32 C:13 19.67 -13.94 C:14 15.49 -13.61 O 21.45 -11.51 O 13.76 -15.49 C:3 13.00 -12.21 C:8001 19.15 -8.72 C:2 13.00 -10.79 C:1 14.24 -10.08 C:9 16.72 -10.08 O 17.93 -9.42 O 16.33 -14.42 O 19.23 -10.37 C:11 19.23 -12.62 C:12 20.07 -11.51 C:15 14.66 -14.42 C:4 14.24 -12.91 C:7 17.93 -12.21 C:10 15.49 -10.79 C:6 16.72 -12.91 C:5 15.49 -12.21 C:8 17.93 -10.79 21 1 -1 22 2 -1 3 9 1 4 16 1 23 5 -1 6 17 2 7 18 2 8 10 1 8 19 2 9 13 1 10 11 1 11 21 1 12 21 1 12 24 1 24 13 -1 14 18 1 14 22 1 15 17 1 15 24 1 16 17 1 16 20 2 18 19 1 19 23 1 20 22 1 20 24 1 21 23 1 22 23 1', '24 27 H 15.49 -9.66 H 16.72 -11.94 C 19.15 -7.32 C 19.67 -13.94 C 15.49 -13.61 O 21.45 -11.51 O 13.76 -15.49 C 13.00 -12.21 C 19.15 -8.72 C 13.00 -10.79 C 14.24 -10.08 C 16.72 -10.08 O 17.93 -9.42 O 16.33 -14.42 O 19.23 -10.37 C 19.23 -12.62 C 20.07 -11.51 C 14.66 -14.42 C 14.24 -12.91 C 17.93 -12.21 C 15.49 -10.79 C 16.72 -12.91 C 15.49 -12.21 C 17.93 -10.79 21 1 -1 22 2 -1 3 9 1 4 16 1 23 5 -1 6 17 2 7 18 2 8 10 1 8 19 2 9 13 1 10 11 1 11 21 1 12 21 1 12 24 1 24 13 -1 14 18 1 14 22 1 15 17 1 15 24 1 16 17 1 16 20 2 18 19 1 19 23 1 20 22 1 20 24 1 21 23 1 22 23 1', '24 27 H 15.49 -9.66 H 16.72 -11.94 C:15 19.15 -7.32 C:9 19.67 -13.94 C:27 15.49 -13.61 O 21.45 -11.51 O 13.76 -15.49 C:137 13.00 -12.21 C:59 19.15 -8.72 C:22 13.00 -10.79 C:22 14.24 -10.08 C:36 16.72 -10.08 O 17.93 -9.42 O 16.33 -14.42 O 19.23 -10.37 C:128 19.23 -12.62 C:171 20.07 -11.51 C:169 14.66 -14.42 C:130 14.24 -12.91 C:153 17.93 -12.21 C:33 15.49 -10.79 C:82 16.72 -12.91 C:44 15.49 -12.21 C:105 17.93 -10.79 21 1 -1 22 2 -1 3 9 1 4 16 1 23 5 -1 6 17 2 7 18 2 8 10 1 8 19 2 9 13 1 10 11 1 11 21 1 12 21 1 12 24 1 24 13 -1 14 18 1 14 22 1 15 17 1 15 24 1 16 17 1 16 20 2 18 19 1 19 23 1 20 22 1 20 24 1 21 23 1 22 23 1', 'C17H20O5', 304.195, 'C', 'np07_241_3', 4549, '', '', '1', 1, NULL, NULL),
(18067, '', '6β-(2ξ-Methylbutyryloxy)eremophil-3,7(11),8-trien-8,12-olide-15-oic acid methyl ester', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]23[CH:9]=[c:8]1o[c:12](=O)[c:11]([CH3:13])[c:7]1[C@@H:6](O[C:6001](=O)[CH:6002]([CH3:6201])[CH2:6003][CH3:6004])[C@:5]2([CH3:14])[C:4]([C:15](=O)O[CH3:15001])=[CH:3][CH2:2][CH2:1]3', '[H][C@@]23C=c1oc(=O)c(C)c1[C@@H](OC(=O)C(C)CC)[C@]2(C)C(C(=O)OC)=CCC3', '[H][C@@:37]23[CH:109]=[c:144]1o[c:171](=O)[c:127]([CH3:9])[c:149]1[C@@H:67](O[C:176](=O)[CH:41]([CH3:16])[CH2:27][CH3:11])[C@:42]2([CH3:23])[C:132]([C:167](=O)O[CH3:52])=[CH:143][CH2:23][CH2:23]3', '28 30 H 15.44 -7.05 C:6004 16.82 -15.76 C:15001 12.92 -13.69 C:13 19.77 -11.33 C:6201 19.21 -14.36 C:14 15.44 -10.95 O 15.36 -12.46 O 19.00 -11.71 O 21.59 -8.83 C:3 12.95 -9.52 C:9 16.76 -7.39 C:2 12.95 -8.15 C:6003 16.82 -14.38 C:1 14.19 -7.39 O 12.92 -12.30 O 16.76 -11.66 O 19.35 -7.69 C:15 14.19 -11.71 C:6001 18.02 -12.30 C:4 14.19 -10.28 C:11 19.35 -9.97 C:7 18.02 -9.52 C:12 20.18 -8.83 C:8 18.02 -8.15 C:6002 18.02 -13.69 C:6 16.76 -10.28 C:10 15.44 -8.15 C:5 15.44 -9.52 27 1 -1 2 13 1 3 15 1 4 21 1 5 25 1 28 6 -1 7 18 2 8 19 2 9 23 2 10 12 1 10 20 2 11 24 2 11 27 1 12 14 1 13 25 1 14 27 1 15 18 1 16 19 1 26 16 -1 17 23 1 17 24 1 18 20 1 19 25 1 20 28 1 21 22 2 21 23 1 22 24 1 22 26 1 26 28 1 27 28 1', '28 30 H 15.44 -7.05 C 16.82 -15.76 C 12.92 -13.69 C 19.77 -11.33 C 19.21 -14.36 C 15.44 -10.95 O 15.36 -12.46 O 19.00 -11.71 O 21.59 -8.83 C 12.95 -9.52 C 16.76 -7.39 C 12.95 -8.15 C 16.82 -14.38 C 14.19 -7.39 O 12.92 -12.30 O 16.76 -11.66 O 19.35 -7.69 C 14.19 -11.71 C 18.02 -12.30 C 14.19 -10.28 C 19.35 -9.97 C 18.02 -9.52 C 20.18 -8.83 C 18.02 -8.15 C 18.02 -13.69 C 16.76 -10.28 C 15.44 -8.15 C 15.44 -9.52 27 1 -1 2 13 1 3 15 1 4 21 1 5 25 1 28 6 -1 7 18 2 8 19 2 9 23 2 10 12 1 10 20 2 11 24 2 11 27 1 12 14 1 13 25 1 14 27 1 15 18 1 16 19 1 26 16 -1 17 23 1 17 24 1 18 20 1 19 25 1 20 28 1 21 22 2 21 23 1 22 24 1 22 26 1 26 28 1 27 28 1', '28 30 H 15.44 -7.05 C:11 16.82 -15.76 C:52 12.92 -13.69 C:9 19.77 -11.33 C:16 19.21 -14.36 C:23 15.44 -10.95 O 15.36 -12.46 O 19.00 -11.71 O 21.59 -8.83 C:143 12.95 -9.52 C:109 16.76 -7.39 C:23 12.95 -8.15 C:27 16.82 -14.38 C:23 14.19 -7.39 O 12.92 -12.30 O 16.76 -11.66 O 19.35 -7.69 C:167 14.19 -11.71 C:176 18.02 -12.30 C:132 14.19 -10.28 C:127 19.35 -9.97 C:149 18.02 -9.52 C:171 20.18 -8.83 C:144 18.02 -8.15 C:41 18.02 -13.69 C:67 16.76 -10.28 C:37 15.44 -8.15 C:42 15.44 -9.52 27 1 -1 2 13 1 3 15 1 4 21 1 5 25 1 28 6 -1 7 18 2 8 19 2 9 23 2 10 12 1 10 20 2 11 24 2 11 27 1 12 14 1 13 25 1 14 27 1 15 18 1 16 19 1 26 16 -1 17 23 1 17 24 1 18 20 1 19 25 1 20 28 1 21 22 2 21 23 1 22 24 1 22 26 1 26 28 1 27 28 1', 'C21H26O6', 374.229, 'C', 'np07_241_4', 4549, '', '', '1', 1, NULL, NULL),
(18068, '', '3β-Angeloyloxy-8-oxoeremophil-6(7)-ene-12,15-dioic acid methylester', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[C:3002]([CH3:3201])=[CH:3003][CH3:3004])[C@H:4]([C:15](=O)O[CH3:15001])[C@@:5]1([CH3:14])[CH:6]=[C:7]([CH:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[CH2:9]2', '[H][C@]12CC[C@H](OC(=O)C(C)=CC)[C@H](C(=O)OC)[C@@]1(C)C=C(C(C)C(=O)OC)C(=O)C2', '[H][C@:36]12[CH2:25][CH2:26][C@H:71](O[C:167](=O)[C:127]([CH3:20])=[CH:139][CH3:16])[C@H:54]([C:172](=O)O[CH3:52])[C@@:40]1([CH3:25])[CH:150]=[C:138]([CH:38]([CH3:15])[C:174](=O)O[CH3:51])[C:196](=O)[CH2:40]2', '30 31 H 17.20 -8.03 C:3004 9.92 -9.16 C:12001 24.56 -10.56 C:15001 14.79 -14.81 C:3201 11.12 -12.66 C:13 20.91 -12.71 C:14 17.20 -11.98 O 20.91 -8.45 O 12.35 -9.16 O 22.15 -9.16 O 17.20 -13.41 C:3003 9.92 -10.56 C:6 18.47 -11.27 C:2 14.79 -9.16 C:1 15.99 -8.45 C:9 18.47 -8.45 O 23.35 -11.25 O 14.79 -13.41 O 13.56 -11.26 C:3002 11.12 -11.25 C:8 19.68 -9.16 C:3001 12.35 -10.56 C:12 22.15 -10.56 C:15 15.99 -12.71 C:7 19.68 -10.56 C:11 20.91 -11.25 C:3 14.79 -10.56 C:4 15.99 -11.27 C:10 17.20 -9.16 C:5 17.20 -10.56 29 1 -1 2 12 1 3 17 1 4 18 1 5 20 1 6 26 1 30 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 12 20 2 13 25 2 13 30 1 14 15 1 14 27 1 15 29 1 16 21 1 16 29 1 17 23 1 18 24 1 19 22 1 27 19 -1 20 22 1 21 25 1 23 26 1 28 24 -1 25 26 1 27 28 1 28 30 1 29 30 1', '30 31 H 17.20 -8.03 C 9.92 -9.16 C 24.56 -10.56 C 14.79 -14.81 C 11.12 -12.66 C 20.91 -12.71 C 17.20 -11.98 O 20.91 -8.45 O 12.35 -9.16 O 22.15 -9.16 O 17.20 -13.41 C 9.92 -10.56 C 18.47 -11.27 C 14.79 -9.16 C 15.99 -8.45 C 18.47 -8.45 O 23.35 -11.25 O 14.79 -13.41 O 13.56 -11.26 C 11.12 -11.25 C 19.68 -9.16 C 12.35 -10.56 C 22.15 -10.56 C 15.99 -12.71 C 19.68 -10.56 C 20.91 -11.25 C 14.79 -10.56 C 15.99 -11.27 C 17.20 -9.16 C 17.20 -10.56 29 1 -1 2 12 1 3 17 1 4 18 1 5 20 1 6 26 1 30 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 12 20 2 13 25 2 13 30 1 14 15 1 14 27 1 15 29 1 16 21 1 16 29 1 17 23 1 18 24 1 19 22 1 27 19 -1 20 22 1 21 25 1 23 26 1 28 24 -1 25 26 1 27 28 1 28 30 1 29 30 1', '30 31 H 17.20 -8.03 C:16 9.92 -9.16 C:51 24.56 -10.56 C:52 14.79 -14.81 C:20 11.12 -12.66 C:15 20.91 -12.71 C:25 17.20 -11.98 O 20.91 -8.45 O 12.35 -9.16 O 22.15 -9.16 O 17.20 -13.41 C:139 9.92 -10.56 C:150 18.47 -11.27 C:26 14.79 -9.16 C:25 15.99 -8.45 C:40 18.47 -8.45 O 23.35 -11.25 O 14.79 -13.41 O 13.56 -11.26 C:127 11.12 -11.25 C:196 19.68 -9.16 C:167 12.35 -10.56 C:174 22.15 -10.56 C:172 15.99 -12.71 C:138 19.68 -10.56 C:38 20.91 -11.25 C:71 14.79 -10.56 C:54 15.99 -11.27 C:36 17.20 -9.16 C:40 17.20 -10.56 29 1 -1 2 12 1 3 17 1 4 18 1 5 20 1 6 26 1 30 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 12 20 2 13 25 2 13 30 1 14 15 1 14 27 1 15 29 1 16 21 1 16 29 1 17 23 1 18 24 1 19 22 1 27 19 -1 20 22 1 21 25 1 23 26 1 28 24 -1 25 26 1 27 28 1 28 30 1 29 30 1', 'C22H30O7', 406.239, 'C', 'np07_241_5', 4549, '', '', '1', 1, NULL, NULL),
(18069, '', '2-Acetyl-3aβ-methyl-3a,6,7,7aβ-tetrahydro-1H-inden-4-oic acidmethylester', 'Terpenoids', 'Sesquiterpenoids', 'Fukinanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:15](=O)O[CH3:15001])[C@@:5]1([CH3:14])[CH:6]=[C:7]([C:11]([CH3:12])=O)[CH2:9]2', '[H][C@]12CCC=C(C(=O)OC)[C@@]1(C)C=C(C(C)=O)C2', '[H][C@:45]12[CH2:22][CH2:23][CH:141]=[C:134]([C:167](=O)O[CH3:51])[C@@:50]1([CH3:25])[CH:151]=[C:143]([C:198]([CH3:26])=O)[CH2:33]2', '18 19 H 16.32 -8.05 C:15001 13.82 -14.78 C:12 20.63 -11.01 C:14 16.32 -11.93 O 20.63 -8.60 O 16.29 -13.38 C:3 13.85 -10.53 C:6 17.67 -10.97 C:2 13.85 -9.09 C:1 15.09 -8.37 C:9 17.67 -8.65 O 13.85 -13.38 C:11 19.92 -9.81 C:15 15.09 -12.68 C:7 18.53 -9.81 C:4 15.09 -11.24 C:10 16.32 -9.09 C:5 16.32 -10.53 17 1 -1 2 12 1 3 13 1 18 4 -1 5 13 2 6 14 2 7 9 1 7 16 2 8 15 2 8 18 1 9 10 1 10 17 1 11 15 1 11 17 1 12 14 1 13 15 1 14 16 1 16 18 1 17 18 1', '18 19 H 16.32 -8.05 C 13.82 -14.78 C 20.63 -11.01 C 16.32 -11.93 O 20.63 -8.60 O 16.29 -13.38 C 13.85 -10.53 C 17.67 -10.97 C 13.85 -9.09 C 15.09 -8.37 C 17.67 -8.65 O 13.85 -13.38 C 19.92 -9.81 C 15.09 -12.68 C 18.53 -9.81 C 15.09 -11.24 C 16.32 -9.09 C 16.32 -10.53 17 1 -1 2 12 1 3 13 1 18 4 -1 5 13 2 6 14 2 7 9 1 7 16 2 8 15 2 8 18 1 9 10 1 10 17 1 11 15 1 11 17 1 12 14 1 13 15 1 14 16 1 16 18 1 17 18 1', '18 19 H 16.32 -8.05 C:51 13.82 -14.78 C:26 20.63 -11.01 C:25 16.32 -11.93 O 20.63 -8.60 O 16.29 -13.38 C:141 13.85 -10.53 C:151 17.67 -10.97 C:23 13.85 -9.09 C:22 15.09 -8.37 C:33 17.67 -8.65 O 13.85 -13.38 C:198 19.92 -9.81 C:167 15.09 -12.68 C:143 18.53 -9.81 C:134 15.09 -11.24 C:45 16.32 -9.09 C:50 16.32 -10.53 17 1 -1 2 12 1 3 13 1 18 4 -1 5 13 2 6 14 2 7 9 1 7 16 2 8 15 2 8 18 1 9 10 1 10 17 1 11 15 1 11 17 1 12 14 1 13 15 1 14 16 1 16 18 1 17 18 1', 'C14H18O3', 234.156, 'C', 'np07_241_6', 4549, '', '', '1', 1, NULL, NULL),
(18070, '', '6β-Sarracinoyloxy-1β,10β-epoxyfuranoeremophilane', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:6004][CH:6003]=[C:6002]([CH2:62001]O)[C:6001](=O)O[C@@H:6]3[c:7]1[c:11]([CH3:13])[cH:12]o[c:8]1[CH2:9][C@@:10]24O[C@@H:1]2[CH2:2][CH2:3][C@H:4]([CH3:15])[C@@:5]34[CH3:14]', 'CC=C(CO)C(=O)O[C@@H]3c1c(C)coc1C[C@@]24O[C@@H]2CC[C@H](C)[C@@]34C', '[CH3:16][CH:142]=[C:131]([CH2:65]O)[C:167](=O)O[C@@H:70]3[c:117]1[c:120]([CH3:9])[cH:139]o[c:148]1[CH2:31][C@@:63]24O[C@@H:63]2[CH2:20][CH2:24][C@H:32]([CH3:15])[C@@:41]34[CH3:17]', '25 28 C:6004 20.96 -13.83 C:13 20.34 -11.47 C:15 14.80 -11.84 C:14 16.03 -11.08 O 19.56 -11.84 O 17.38 -15.91 C:6003 19.77 -14.51 C:12 20.74 -8.99 C:62001 17.38 -14.51 C:3 13.56 -9.67 C:2 13.56 -8.31 C:9 17.34 -7.57 O 17.34 -11.79 O 16.03 -6.93 O 19.89 -7.87 C:6001 18.58 -12.44 C:6002 18.58 -13.83 C:11 19.89 -10.12 C:8 18.58 -8.31 C:7 18.58 -9.67 C:4 14.80 -10.43 C:1 14.80 -7.57 C:6 17.34 -10.43 C:5 16.03 -9.67 C:10 16.03 -8.31 1 7 1 2 18 1 21 3 -1 24 4 -1 5 16 2 6 9 1 7 17 2 8 15 1 8 18 2 9 17 1 10 11 1 10 21 1 11 22 1 12 19 1 12 25 1 13 16 1 23 13 -1 22 14 -1 25 14 -1 15 19 1 16 17 1 18 20 1 19 20 2 20 23 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 28 C 20.96 -13.83 C 20.34 -11.47 C 14.80 -11.84 C 16.03 -11.08 O 19.56 -11.84 O 17.38 -15.91 C 19.77 -14.51 C 20.74 -8.99 C 17.38 -14.51 C 13.56 -9.67 C 13.56 -8.31 C 17.34 -7.57 O 17.34 -11.79 O 16.03 -6.93 O 19.89 -7.87 C 18.58 -12.44 C 18.58 -13.83 C 19.89 -10.12 C 18.58 -8.31 C 18.58 -9.67 C 14.80 -10.43 C 14.80 -7.57 C 17.34 -10.43 C 16.03 -9.67 C 16.03 -8.31 1 7 1 2 18 1 21 3 -1 24 4 -1 5 16 2 6 9 1 7 17 2 8 15 1 8 18 2 9 17 1 10 11 1 10 21 1 11 22 1 12 19 1 12 25 1 13 16 1 23 13 -1 22 14 -1 25 14 -1 15 19 1 16 17 1 18 20 1 19 20 2 20 23 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 28 C:16 20.96 -13.83 C:9 20.34 -11.47 C:15 14.80 -11.84 C:17 16.03 -11.08 O 19.56 -11.84 O 17.38 -15.91 C:142 19.77 -14.51 C:139 20.74 -8.99 C:65 17.38 -14.51 C:24 13.56 -9.67 C:20 13.56 -8.31 C:31 17.34 -7.57 O 17.34 -11.79 O 16.03 -6.93 O 19.89 -7.87 C:167 18.58 -12.44 C:131 18.58 -13.83 C:120 19.89 -10.12 C:148 18.58 -8.31 C:117 18.58 -9.67 C:32 14.80 -10.43 C:63 14.80 -7.57 C:70 17.34 -10.43 C:41 16.03 -9.67 C:63 16.03 -8.31 1 7 1 2 18 1 21 3 -1 24 4 -1 5 16 2 6 9 1 7 17 2 8 15 1 8 18 2 9 17 1 10 11 1 10 21 1 11 22 1 12 19 1 12 25 1 13 16 1 23 13 -1 22 14 -1 25 14 -1 15 19 1 16 17 1 18 20 1 19 20 2 20 23 1 21 24 1 22 25 1 23 24 1 24 25 1', 'C20H26O5', 346.211, 'C', 'np07_1259_1', 4550, '', '', '1', 1, NULL, NULL),
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(18086, '', '10α-hydroxy-6β-(isobutanoyloxy)-1-oxoeremophila-7(11),8-dieno-12,8-lactone', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:13][c:11]3[c:7]2[c:8](=[CH:9][C@:10]1(O)[C:1](=O)[CH2:2][CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@H:6]2O[C:6001](=O)[CH:6002]([CH3:6201])[CH3:6003])o[c:12]3=O', 'Cc3c2c(=C[C@]1(O)C(=O)CC[C@H](C)[C@@]1(C)[C@@H]2OC(=O)C(C)C)oc3=O', '[CH3:9][c:125]3[c:145]2[c:151](=[CH:105][C@:79]1(O)[C:208](=O)[CH2:36][CH2:31][C@H:33]([CH3:17])[C@@:51]1([CH3:9])[C@@H:72]2O[C:176](=O)[CH:34]([CH3:19])[CH3:19])o[c:170]3=O', '25 27 C:13 19.75 -12.58 C:6201 16.77 -15.58 C:6003 19.22 -15.58 C:15 14.22 -12.95 C:14 15.45 -12.20 O 18.96 -12.95 O 14.22 -7.30 O 21.52 -10.10 O 15.45 -8.02 C:9 16.77 -8.67 C:2 12.99 -9.42 C:3 12.99 -10.78 O 16.77 -12.91 O 19.31 -8.96 C:6001 17.99 -13.54 C:1 14.22 -8.67 C:11 19.31 -11.23 C:7 17.99 -10.78 C:12 20.13 -10.10 C:8 17.99 -9.42 C:6002 17.99 -14.89 C:4 14.22 -11.54 C:6 16.77 -11.54 C:10 15.45 -9.42 C:5 15.45 -10.78 1 17 1 2 21 1 3 21 1 22 4 -1 25 5 -1 6 15 2 7 16 2 8 19 2 24 9 -2 10 20 2 10 24 1 11 12 1 11 16 1 12 22 1 13 15 1 23 13 -1 14 19 1 14 20 1 15 21 1 16 24 1 17 18 2 17 19 1 18 20 1 18 23 1 22 25 1 23 25 1 24 25 1', '25 27 C 19.75 -12.58 C 16.77 -15.58 C 19.22 -15.58 C 14.22 -12.95 C 15.45 -12.20 O 18.96 -12.95 O 14.22 -7.30 O 21.52 -10.10 O 15.45 -8.02 C 16.77 -8.67 C 12.99 -9.42 C 12.99 -10.78 O 16.77 -12.91 O 19.31 -8.96 C 17.99 -13.54 C 14.22 -8.67 C 19.31 -11.23 C 17.99 -10.78 C 20.13 -10.10 C 17.99 -9.42 C 17.99 -14.89 C 14.22 -11.54 C 16.77 -11.54 C 15.45 -9.42 C 15.45 -10.78 1 17 1 2 21 1 3 21 1 22 4 -1 25 5 -1 6 15 2 7 16 2 8 19 2 24 9 -2 10 20 2 10 24 1 11 12 1 11 16 1 12 22 1 13 15 1 23 13 -1 14 19 1 14 20 1 15 21 1 16 24 1 17 18 2 17 19 1 18 20 1 18 23 1 22 25 1 23 25 1 24 25 1', '25 27 C:9 19.75 -12.58 C:19 16.77 -15.58 C:19 19.22 -15.58 C:17 14.22 -12.95 C:9 15.45 -12.20 O 18.96 -12.95 O 14.22 -7.30 O 21.52 -10.10 O 15.45 -8.02 C:105 16.77 -8.67 C:36 12.99 -9.42 C:31 12.99 -10.78 O 16.77 -12.91 O 19.31 -8.96 C:176 17.99 -13.54 C:208 14.22 -8.67 C:125 19.31 -11.23 C:145 17.99 -10.78 C:170 20.13 -10.10 C:151 17.99 -9.42 C:34 17.99 -14.89 C:33 14.22 -11.54 C:72 16.77 -11.54 C:79 15.45 -9.42 C:51 15.45 -10.78 1 17 1 2 21 1 3 21 1 22 4 -1 25 5 -1 6 15 2 7 16 2 8 19 2 24 9 -2 10 20 2 10 24 1 11 12 1 11 16 1 12 22 1 13 15 1 23 13 -1 14 19 1 14 20 1 15 21 1 16 24 1 17 18 2 17 19 1 18 20 1 18 23 1 22 25 1 23 25 1 24 25 1', 'C19H24O6', 348.2, 'C', 'hca07_2196_3', 4554, '', '', '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
(18087, 'ligularin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:15][CH:4]=[CH:3][CH2:2][CH2:1][c:10]4[c:5]([CH3:14])[cH:6][c:7]1[c:8](O[CH2:12][C:11]1([CH3:13])[c:112]3o[c:108]2[c:109](O)[c:110]([CH2:101][CH2:102][CH:103]=[CH:104][CH3:115])[c:105]([CH3:114])[cH:106][c:107]2[c:111]3[CH3:113])[c:9]4O', 'CC=CCCc4c(C)cc1c(OCC1(C)c3oc2c(O)c(CCC=CC)c(C)cc2c3C)c4O', '[CH3:18][CH:125]=[CH:131][CH2:32][CH2:27][c:130]4[c:127]([CH3:19])[cH:117][c:130]1[c:145](O[CH2:84][C:48]1([CH3:25])[c:154]3o[c:140]2[c:138](O)[c:132]([CH2:27][CH2:33][CH:131]=[CH:125][CH3:18])[c:123]([CH3:20])[cH:111][c:130]2[c:111]3[CH3:8])[c:138]4O', '34 37 C:15 6.46 -9.19 C:115 28.03 -11.26 C:14 11.22 -11.95 C:114 23.18 -14.08 C:113 17.79 -15.11 C:13 15.58 -12.89 O 13.68 -7.72 O 20.78 -9.87 C:4 7.63 -9.87 C:104 26.82 -11.95 C:3 8.81 -9.19 C:103 25.61 -11.26 C:6 13.68 -11.95 C:106 20.78 -14.04 C:2 9.97 -9.84 C:102 24.41 -11.95 C:1 11.22 -9.13 C:101 23.18 -11.26 C:12 17.05 -10.54 O 16.24 -9.42 O 18.24 -11.53 C:5 12.47 -11.26 C:105 21.98 -13.36 C:111 18.24 -13.78 C:9 13.68 -9.13 C:109 20.78 -11.26 C:7 14.92 -11.26 C:10 12.47 -9.84 C:110 21.98 -11.95 C:8 14.92 -9.84 C:112 17.42 -12.65 C:107 19.58 -13.36 C:108 19.58 -11.95 C:11 16.24 -11.67 1 9 1 2 10 1 3 22 1 4 23 1 5 24 1 6 34 1 7 25 1 8 26 1 9 11 2 10 12 2 11 15 1 12 16 1 13 22 2 13 27 1 14 23 2 14 32 1 15 17 1 16 18 1 17 28 1 18 29 1 19 20 1 19 34 1 20 30 1 21 31 1 21 33 1 22 28 1 23 29 1 24 31 2 24 32 1 25 28 2 25 30 1 26 29 2 26 33 1 27 30 2 27 34 1 31 34 1 32 33 2', '34 37 C 6.46 -9.19 C 28.03 -11.26 C 11.22 -11.95 C 23.18 -14.08 C 17.79 -15.11 C 15.58 -12.89 O 13.68 -7.72 O 20.78 -9.87 C 7.63 -9.87 C 26.82 -11.95 C 8.81 -9.19 C 25.61 -11.26 C 13.68 -11.95 C 20.78 -14.04 C 9.97 -9.84 C 24.41 -11.95 C 11.22 -9.13 C 23.18 -11.26 C 17.05 -10.54 O 16.24 -9.42 O 18.24 -11.53 C 12.47 -11.26 C 21.98 -13.36 C 18.24 -13.78 C 13.68 -9.13 C 20.78 -11.26 C 14.92 -11.26 C 12.47 -9.84 C 21.98 -11.95 C 14.92 -9.84 C 17.42 -12.65 C 19.58 -13.36 C 19.58 -11.95 C 16.24 -11.67 1 9 1 2 10 1 3 22 1 4 23 1 5 24 1 6 34 1 7 25 1 8 26 1 9 11 2 10 12 2 11 15 1 12 16 1 13 22 2 13 27 1 14 23 2 14 32 1 15 17 1 16 18 1 17 28 1 18 29 1 19 20 1 19 34 1 20 30 1 21 31 1 21 33 1 22 28 1 23 29 1 24 31 2 24 32 1 25 28 2 25 30 1 26 29 2 26 33 1 27 30 2 27 34 1 31 34 1 32 33 2', '34 37 C:18 6.46 -9.19 C:18 28.03 -11.26 C:19 11.22 -11.95 C:20 23.18 -14.08 C:8 17.79 -15.11 C:25 15.58 -12.89 O 13.68 -7.72 O 20.78 -9.87 C:125 7.63 -9.87 C:125 26.82 -11.95 C:131 8.81 -9.19 C:131 25.61 -11.26 C:117 13.68 -11.95 C:111 20.78 -14.04 C:32 9.97 -9.84 C:33 24.41 -11.95 C:27 11.22 -9.13 C:27 23.18 -11.26 C:84 17.05 -10.54 O 16.24 -9.42 O 18.24 -11.53 C:127 12.47 -11.26 C:123 21.98 -13.36 C:111 18.24 -13.78 C:138 13.68 -9.13 C:138 20.78 -11.26 C:130 14.92 -11.26 C:130 12.47 -9.84 C:132 21.98 -11.95 C:145 14.92 -9.84 C:154 17.42 -12.65 C:130 19.58 -13.36 C:140 19.58 -11.95 C:48 16.24 -11.67 1 9 1 2 10 1 3 22 1 4 23 1 5 24 1 6 34 1 7 25 1 8 26 1 9 11 2 10 12 2 11 15 1 12 16 1 13 22 2 13 27 1 14 23 2 14 32 1 15 17 1 16 18 1 17 28 1 18 29 1 19 20 1 19 34 1 20 30 1 21 31 1 21 33 1 22 28 1 23 29 1 24 31 2 24 32 1 25 28 2 25 30 1 26 29 2 26 33 1 27 30 2 27 34 1 31 34 1 32 33 2', 'C30H36O4', 460.319, 'C', 'hca07_1802_1', 4555, '', '', '1', 1, NULL, NULL),
(18088, 'ligulolide D', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:112]35O[C@:108]2([CH2:109][C:110]1=[CH:101][CH2:102][CH2:103][C@@H:104]([CH3:115])[C@:105]1([CH3:114])[C@@H:106](O)[C:107]2=[C:111]3[CH3:113])[C@:8]67[CH:9]=[C:10]4[CH2:1][CH2:2][CH2:3][C@H:4]([CH3:15])[C@@:5]4([CH3:14])[C@@:6]5([H])[C:7]6=[C:11]([CH3:13])[C:12](=O)O7', '[H][C@@]35O[C@]2(CC1=CCC[C@@H](C)[C@]1(C)[C@@H](O)C2=C3C)[C@]67C=C4CCC[C@H](C)[C@@]4(C)[C@@]5([H])C6=C(C)C(=O)O7', '[H][C@@:84]35O[C@:89]2([CH2:37][C:135]1=[CH:127][CH2:23][CH2:27][C@@H:33]([CH3:17])[C@:44]1([CH3:15])[C@@H:77](O)[C:138]2=[C:136]3[CH3:11])[C@:85]67[CH:117]=[C:152]4[CH2:32][CH2:27][CH2:31][C@H:36]([CH3:15])[C@@:47]4([CH3:19])[C@@:46]5([H])[C:165]6=[C:116]([CH3:8])[C:175](=O)O7', '36 42 H 15.19 -13.36 H 15.80 -10.10 C:13 17.68 -10.44 C:113 16.30 -15.24 C:115 21.34 -15.76 C:15 12.97 -10.73 C:114 20.13 -15.02 C:14 14.03 -10.13 O 19.38 -8.26 O 19.03 -15.65 C:101 21.34 -11.60 C:9 15.09 -7.09 C:102 22.52 -12.29 C:2 11.93 -7.69 C:1 12.97 -7.09 C:103 22.52 -13.68 C:3 11.93 -8.90 C:109 19.03 -11.70 O 17.30 -7.33 O 16.69 -11.94 C:11 17.30 -9.29 C:12 18.00 -8.29 C:111 16.69 -14.04 C:10 14.03 -7.69 C:110 20.13 -12.34 C:107 17.90 -13.63 C:7 16.12 -8.90 C:104 21.34 -14.38 C:4 12.97 -9.50 C:106 19.03 -14.28 C:112 15.94 -12.97 C:105 20.13 -13.63 C:6 15.09 -9.50 C:5 14.03 -8.90 C:8 16.12 -7.69 C:108 17.90 -12.34 31 1 -1 33 2 -2 3 21 1 4 23 1 28 5 -1 29 6 -1 32 7 -1 34 8 -1 9 22 2 30 10 -1 11 13 1 11 25 2 12 24 2 12 35 1 13 16 1 14 15 1 14 17 1 15 24 1 16 28 1 17 29 1 18 25 1 18 36 1 19 22 1 35 19 -2 20 31 1 36 20 -1 21 22 1 21 27 2 23 26 2 23 31 1 24 34 1 25 32 1 26 30 1 26 36 1 27 33 1 27 35 1 28 32 1 29 34 1 30 32 1 31 33 1 33 34 1 35 36 1', '36 42 H 15.19 -13.36 H 15.80 -10.10 C 17.68 -10.44 C 16.30 -15.24 C 21.34 -15.76 C 12.97 -10.73 C 20.13 -15.02 C 14.03 -10.13 O 19.38 -8.26 O 19.03 -15.65 C 21.34 -11.60 C 15.09 -7.09 C 22.52 -12.29 C 11.93 -7.69 C 12.97 -7.09 C 22.52 -13.68 C 11.93 -8.90 C 19.03 -11.70 O 17.30 -7.33 O 16.69 -11.94 C 17.30 -9.29 C 18.00 -8.29 C 16.69 -14.04 C 14.03 -7.69 C 20.13 -12.34 C 17.90 -13.63 C 16.12 -8.90 C 21.34 -14.38 C 12.97 -9.50 C 19.03 -14.28 C 15.94 -12.97 C 20.13 -13.63 C 15.09 -9.50 C 14.03 -8.90 C 16.12 -7.69 C 17.90 -12.34 31 1 -1 33 2 -2 3 21 1 4 23 1 28 5 -1 29 6 -1 32 7 -1 34 8 -1 9 22 2 30 10 -1 11 13 1 11 25 2 12 24 2 12 35 1 13 16 1 14 15 1 14 17 1 15 24 1 16 28 1 17 29 1 18 25 1 18 36 1 19 22 1 35 19 -2 20 31 1 36 20 -1 21 22 1 21 27 2 23 26 2 23 31 1 24 34 1 25 32 1 26 30 1 26 36 1 27 33 1 27 35 1 28 32 1 29 34 1 30 32 1 31 33 1 33 34 1 35 36 1', '36 42 H 15.19 -13.36 H 15.80 -10.10 C:8 17.68 -10.44 C:11 16.30 -15.24 C:17 21.34 -15.76 C:15 12.97 -10.73 C:15 20.13 -15.02 C:19 14.03 -10.13 O 19.38 -8.26 O 19.03 -15.65 C:127 21.34 -11.60 C:117 15.09 -7.09 C:23 22.52 -12.29 C:27 11.93 -7.69 C:32 12.97 -7.09 C:27 22.52 -13.68 C:31 11.93 -8.90 C:37 19.03 -11.70 O 17.30 -7.33 O 16.69 -11.94 C:116 17.30 -9.29 C:175 18.00 -8.29 C:136 16.69 -14.04 C:152 14.03 -7.69 C:135 20.13 -12.34 C:138 17.90 -13.63 C:165 16.12 -8.90 C:33 21.34 -14.38 C:36 12.97 -9.50 C:77 19.03 -14.28 C:84 15.94 -12.97 C:44 20.13 -13.63 C:46 15.09 -9.50 C:47 14.03 -8.90 C:85 16.12 -7.69 C:89 17.90 -12.34 31 1 -1 33 2 -2 3 21 1 4 23 1 28 5 -1 29 6 -1 32 7 -1 34 8 -1 9 22 2 30 10 -1 11 13 1 11 25 2 12 24 2 12 35 1 13 16 1 14 15 1 14 17 1 15 24 1 16 28 1 17 29 1 18 25 1 18 36 1 19 22 1 35 19 -2 20 31 1 36 20 -1 21 22 1 21 27 2 23 26 2 23 31 1 24 34 1 25 32 1 26 30 1 26 36 1 27 33 1 27 35 1 28 32 1 29 34 1 30 32 1 31 33 1 33 34 1 35 36 1', 'C30H38O4', 462.334, 'C', 'hca07_1802_2', 4555, '', '', '1', 1, NULL, NULL),
(18089, '', '1β,10α-dihydroxy-6β-[(2-methylpropyl)oxy]furanoeremophil-9-one', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:13][c:11]2[cH:12]o[c:8]3[C:9](=O)[C@:10]1(O)[C@H:1](O)[CH2:2][CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@H:6](O[C:6001](=O)[CH:6002]([CH3:6003])[CH3:6201])[c:7]23', 'Cc2coc3C(=O)[C@]1(O)[C@H](O)CC[C@H](C)[C@@]1(C)[C@H](OC(=O)C(C)C)c23', '[CH3:9][c:122]2[cH:147]o[c:146]3[C:186](=O)[C@:81]1(O)[C@H:62](O)[CH2:24][CH2:23][C@H:32]([CH3:16])[C@@:50]1([CH3:16])[C@H:68](O[C:177](=O)[CH:34]([CH3:19])[CH3:20])[c:140]23', '25 27 C:13 20.50 -12.52 C:6003 19.95 -15.59 C:6201 17.51 -15.59 C:15 14.90 -12.89 C:14 16.15 -12.13 O 19.71 -12.89 O 17.48 -7.21 O 14.90 -7.21 O 16.15 -8.26 C:12 20.90 -10.03 C:3 13.65 -10.72 C:2 13.65 -9.35 O 17.48 -12.84 O 20.06 -8.90 C:6001 18.73 -13.49 C:9 17.48 -8.59 C:11 20.06 -11.17 C:8 18.73 -9.35 C:7 18.73 -10.72 C:6002 18.73 -14.89 C:4 14.90 -11.48 C:1 14.90 -8.59 C:6 17.48 -11.48 C:5 16.15 -10.72 C:10 16.15 -9.35 1 17 1 2 20 1 3 20 1 21 4 -1 24 5 -1 6 15 2 7 16 2 22 8 -1 25 9 -2 10 14 1 10 17 2 11 12 1 11 21 1 12 22 1 13 15 1 23 13 -1 14 18 1 15 20 1 16 18 1 16 25 1 17 19 1 18 19 2 19 23 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 27 C 20.50 -12.52 C 19.95 -15.59 C 17.51 -15.59 C 14.90 -12.89 C 16.15 -12.13 O 19.71 -12.89 O 17.48 -7.21 O 14.90 -7.21 O 16.15 -8.26 C 20.90 -10.03 C 13.65 -10.72 C 13.65 -9.35 O 17.48 -12.84 O 20.06 -8.90 C 18.73 -13.49 C 17.48 -8.59 C 20.06 -11.17 C 18.73 -9.35 C 18.73 -10.72 C 18.73 -14.89 C 14.90 -11.48 C 14.90 -8.59 C 17.48 -11.48 C 16.15 -10.72 C 16.15 -9.35 1 17 1 2 20 1 3 20 1 21 4 -1 24 5 -1 6 15 2 7 16 2 22 8 -1 25 9 -2 10 14 1 10 17 2 11 12 1 11 21 1 12 22 1 13 15 1 23 13 -1 14 18 1 15 20 1 16 18 1 16 25 1 17 19 1 18 19 2 19 23 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 27 C:9 20.50 -12.52 C:19 19.95 -15.59 C:20 17.51 -15.59 C:16 14.90 -12.89 C:16 16.15 -12.13 O 19.71 -12.89 O 17.48 -7.21 O 14.90 -7.21 O 16.15 -8.26 C:147 20.90 -10.03 C:23 13.65 -10.72 C:24 13.65 -9.35 O 17.48 -12.84 O 20.06 -8.90 C:177 18.73 -13.49 C:186 17.48 -8.59 C:122 20.06 -11.17 C:146 18.73 -9.35 C:140 18.73 -10.72 C:34 18.73 -14.89 C:32 14.90 -11.48 C:62 14.90 -8.59 C:68 17.48 -11.48 C:50 16.15 -10.72 C:81 16.15 -9.35 1 17 1 2 20 1 3 20 1 21 4 -1 24 5 -1 6 15 2 7 16 2 22 8 -1 25 9 -2 10 14 1 10 17 2 11 12 1 11 21 1 12 22 1 13 15 1 23 13 -1 14 18 1 15 20 1 16 18 1 16 25 1 17 19 1 18 19 2 19 23 1 21 24 1 22 25 1 23 24 1 24 25 1', 'C19H26O6', 350.2, 'C', 'hca07_1802_3', 4555, '', '', '1', 1, NULL, NULL),
(18090, '', '1-hydroxy-3,7-dimethyl-2-(pent-3-enyl)benzofuran', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:15][CH:4]=[CH:3][CH2:2][CH2:1][c:10]2[c:5]([CH3:14])[cH:6][c:7]1[c:11]([CH3:13])[cH:12]o[c:8]1[c:9]2O', 'CC=CCCc2c(C)cc1c(C)coc1c2O', '[CH3:18][CH:125]=[CH:131][CH2:32][CH2:27][c:123]2[c:132]([CH3:20])[cH:112][c:128]1[c:116]([CH3:8])[cH:141]o[c:143]1[c:139]2O', '17 18 C:15 11.95 -10.20 C:14 16.80 -13.00 C:13 22.20 -14.07 O 19.22 -8.80 C:4 13.16 -10.90 C:3 14.37 -10.20 C:12 22.59 -11.60 C:6 19.22 -13.00 C:2 15.58 -10.90 C:1 16.80 -10.20 O 21.76 -10.47 C:5 18.01 -12.30 C:11 21.76 -12.73 C:9 19.22 -10.20 C:10 18.01 -10.90 C:7 20.43 -12.30 C:8 20.43 -10.90 1 5 1 2 12 1 3 13 1 4 14 1 5 6 2 6 9 1 7 11 1 7 13 2 8 12 1 8 16 2 9 10 1 10 15 1 11 17 1 12 15 2 13 16 1 14 15 1 14 17 2 16 17 1', '17 18 C 11.95 -10.20 C 16.80 -13.00 C 22.20 -14.07 O 19.22 -8.80 C 13.16 -10.90 C 14.37 -10.20 C 22.59 -11.60 C 19.22 -13.00 C 15.58 -10.90 C 16.80 -10.20 O 21.76 -10.47 C 18.01 -12.30 C 21.76 -12.73 C 19.22 -10.20 C 18.01 -10.90 C 20.43 -12.30 C 20.43 -10.90 1 5 1 2 12 1 3 13 1 4 14 1 5 6 2 6 9 1 7 11 1 7 13 2 8 12 1 8 16 2 9 10 1 10 15 1 11 17 1 12 15 2 13 16 1 14 15 1 14 17 2 16 17 1', '17 18 C:18 11.95 -10.20 C:20 16.80 -13.00 C:8 22.20 -14.07 O 19.22 -8.80 C:125 13.16 -10.90 C:131 14.37 -10.20 C:141 22.59 -11.60 C:112 19.22 -13.00 C:32 15.58 -10.90 C:27 16.80 -10.20 O 21.76 -10.47 C:132 18.01 -12.30 C:116 21.76 -12.73 C:139 19.22 -10.20 C:123 18.01 -10.90 C:128 20.43 -12.30 C:143 20.43 -10.90 1 5 1 2 12 1 3 13 1 4 14 1 5 6 2 6 9 1 7 11 1 7 13 2 8 12 1 8 16 2 9 10 1 10 15 1 11 17 1 12 15 2 13 16 1 14 15 1 14 17 2 16 17 1', 'C15H18O2', 230.159, 'C', 'hca07_1802_5', 4555, '', 'hca07_1705_8', '1', 1, NULL, NULL),
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(18103, '', '3α-Hydroxy-11-peroxyl-eremophila-6,9-dien-8-one', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:15][C@H:4]2[C@H:3](O)[CH2:2][CH2:1][C:10]1=[CH:9][C:8](=O)[C:7]([C@@:11]([CH3:13])([CH3:12])OO)=[CH:6][C@@:5]12[CH3:14]', 'C[C@H]2[C@H](O)CCC1=CC(=O)C([C@@](C)(C)OO)=C[C@@]12C', '[CH3:12][C@H:47]2[C@H:71](O)[CH2:36][CH2:30][C:166]1=[CH:125][C:186](=O)[C:139]([C@@:83]([CH3:25])([CH3:24])OO)=[CH:151][C@@:43]12[CH3:19]', '19 20 C:15 15.34 -13.27 C:13 20.23 -13.17 C:12 21.46 -11.06 C:14 16.60 -12.45 O 20.17 -8.97 O 21.46 -13.85 O 12.99 -11.76 C:9 17.81 -8.97 C:6 17.81 -11.76 C:1 15.34 -8.97 C:2 14.16 -9.68 O 21.45 -12.45 C:8 19.00 -9.68 C:10 16.60 -9.68 C:7 19.00 -11.06 C:4 15.34 -11.76 C:3 14.16 -11.06 C:11 20.23 -11.76 C:5 16.60 -11.06 16 1 -1 2 18 1 3 18 1 19 4 -1 5 13 2 6 12 1 17 7 -2 8 13 1 8 14 2 9 15 2 9 19 1 10 11 1 10 14 1 11 17 1 18 12 -1 13 15 1 14 19 1 15 18 1 16 17 1 16 19 1', '19 20 C 15.34 -13.27 C 20.23 -13.17 C 21.46 -11.06 C 16.60 -12.45 O 20.17 -8.97 O 21.46 -13.85 O 12.99 -11.76 C 17.81 -8.97 C 17.81 -11.76 C 15.34 -8.97 C 14.16 -9.68 O 21.45 -12.45 C 19.00 -9.68 C 16.60 -9.68 C 19.00 -11.06 C 15.34 -11.76 C 14.16 -11.06 C 20.23 -11.76 C 16.60 -11.06 16 1 -1 2 18 1 3 18 1 19 4 -1 5 13 2 6 12 1 17 7 -2 8 13 1 8 14 2 9 15 2 9 19 1 10 11 1 10 14 1 11 17 1 18 12 -1 13 15 1 14 19 1 15 18 1 16 17 1 16 19 1', '19 20 C:12 15.34 -13.27 C:25 20.23 -13.17 C:24 21.46 -11.06 C:19 16.60 -12.45 O 20.17 -8.97 O 21.46 -13.85 O 12.99 -11.76 C:125 17.81 -8.97 C:151 17.81 -11.76 C:30 15.34 -8.97 C:36 14.16 -9.68 O 21.45 -12.45 C:186 19.00 -9.68 C:166 16.60 -9.68 C:139 19.00 -11.06 C:47 15.34 -11.76 C:71 14.16 -11.06 C:83 20.23 -11.76 C:43 16.60 -11.06 16 1 -1 2 18 1 3 18 1 19 4 -1 5 13 2 6 12 1 17 7 -2 8 13 1 8 14 2 9 15 2 9 19 1 10 11 1 10 14 1 11 17 1 18 12 -1 13 15 1 14 19 1 15 18 1 16 17 1 16 19 1', 'C15H22O4', 266.158, 'C', 'bkcs07_292_1', 4559, '', '', '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
(18104, '', 'Cycloart-23Z-ene-3b,25-diol-3b-trans-ferulate', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]5([C@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])O)[CH2:16][CH2:15][C@@:14]6([CH3:30])[C@:8]3([H])[CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C:3001](=O)[CH:3002]=[CH:3003][c:3004]1[cH:3009][cH:3008][c:3007](O)[c:3006](O[CH3:3601])[cH:3005]1)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@:13]56[CH3:18]', '[H][C@]5([C@H](C)CC=CC(C)(C)O)CC[C@@]6(C)[C@]3([H])CC[C@@]2([H])[C@@](C)(C)[C@@H](OC(=O)C=Cc1ccc(O)c(OC)c1)CC[C@@]24C[C@@]34CC[C@]56C', '[H][C@:52]5([C@H:36]([CH3:18])[CH2:39][CH:126]=[CH:139][C:71]([CH3:30])([CH3:30])O)[CH2:27][CH2:33][C@@:49]6([CH3:26])[C@:48]3([H])[CH2:28][CH2:21][C@@:47]2([H])[C@@:40]([CH3:19])([CH3:15])[C@@H:81](O[C:167](=O)[CH:116]=[CH:144][c:127]1[cH:123][cH:115][c:148](O)[c:147](O[CH3:56])[cH:109]1)[CH2:27][CH2:32][C@@:26]24[CH2:30][C@@:20]34[CH2:26][CH2:36][C@:45]56[CH3:18]', '48 53 H 22.42 -10.09 H 17.55 -14.34 H 19.98 -10.66 C:3601 5.39 -11.90 C:21 22.09 -6.78 C:26 27.35 -10.66 C:27 29.14 -9.02 C:28 17.12 -15.17 C:29 15.37 -15.17 C:18 21.26 -8.20 C:30 21.26 -12.48 O 12.66 -11.84 O 5.39 -16.10 O 28.72 -10.35 C:23 25.43 -8.61 C:3002 11.44 -13.99 C:3003 10.22 -13.31 C:24 26.82 -8.30 C:3009 9.00 -15.41 C:3008 7.79 -16.10 C:3005 7.79 -13.31 C:22 24.47 -7.52 C:2 15.07 -11.77 C:16 23.44 -10.35 C:6 18.78 -13.99 C:7 19.98 -13.31 C:1 16.31 -11.07 C:15 22.57 -11.49 C:12 19.98 -8.91 C:11 18.78 -9.64 C:19 17.55 -10.35 O 5.39 -13.31 O 13.87 -13.99 C:3001 12.66 -13.31 C:3004 9.00 -13.99 C:3007 6.57 -15.41 C:3006 6.57 -13.99 C:20 23.03 -7.84 C:3 15.07 -13.31 C:25 27.77 -9.33 C:4 16.31 -13.99 C:17 22.57 -9.19 C:5 17.55 -13.31 C:8 19.98 -11.77 C:13 21.26 -9.64 C:14 21.26 -11.07 C:10 17.55 -11.77 C:9 18.78 -11.07 42 1 -2 43 2 -2 44 3 -1 4 32 1 38 5 -2 6 40 1 7 40 1 41 8 -2 41 9 -1 45 10 -1 46 11 -2 12 34 2 13 36 1 14 40 1 15 18 2 15 22 1 16 17 2 16 34 1 17 35 1 18 40 1 19 20 2 19 35 1 20 36 1 21 35 2 21 37 1 22 38 1 23 27 1 23 39 1 24 28 1 24 42 1 25 26 1 25 43 1 26 44 1 27 47 1 28 46 1 29 30 1 29 45 1 30 48 1 47 31 -1 48 31 -1 32 37 1 33 34 1 39 33 -1 36 37 2 38 42 1 39 41 1 41 43 1 42 45 1 43 47 1 44 46 1 44 48 1 45 46 1 47 48 1', '48 53 H 22.42 -10.09 H 17.55 -14.34 H 19.98 -10.66 C 5.39 -11.90 C 22.09 -6.78 C 27.35 -10.66 C 29.14 -9.02 C 17.12 -15.17 C 15.37 -15.17 C 21.26 -8.20 C 21.26 -12.48 O 12.66 -11.84 O 5.39 -16.10 O 28.72 -10.35 C 25.43 -8.61 C 11.44 -13.99 C 10.22 -13.31 C 26.82 -8.30 C 9.00 -15.41 C 7.79 -16.10 C 7.79 -13.31 C 24.47 -7.52 C 15.07 -11.77 C 23.44 -10.35 C 18.78 -13.99 C 19.98 -13.31 C 16.31 -11.07 C 22.57 -11.49 C 19.98 -8.91 C 18.78 -9.64 C 17.55 -10.35 O 5.39 -13.31 O 13.87 -13.99 C 12.66 -13.31 C 9.00 -13.99 C 6.57 -15.41 C 6.57 -13.99 C 23.03 -7.84 C 15.07 -13.31 C 27.77 -9.33 C 16.31 -13.99 C 22.57 -9.19 C 17.55 -13.31 C 19.98 -11.77 C 21.26 -9.64 C 21.26 -11.07 C 17.55 -11.77 C 18.78 -11.07 42 1 -2 43 2 -2 44 3 -1 4 32 1 38 5 -2 6 40 1 7 40 1 41 8 -2 41 9 -1 45 10 -1 46 11 -2 12 34 2 13 36 1 14 40 1 15 18 2 15 22 1 16 17 2 16 34 1 17 35 1 18 40 1 19 20 2 19 35 1 20 36 1 21 35 2 21 37 1 22 38 1 23 27 1 23 39 1 24 28 1 24 42 1 25 26 1 25 43 1 26 44 1 27 47 1 28 46 1 29 30 1 29 45 1 30 48 1 47 31 -1 48 31 -1 32 37 1 33 34 1 39 33 -1 36 37 2 38 42 1 39 41 1 41 43 1 42 45 1 43 47 1 44 46 1 44 48 1 45 46 1 47 48 1', '48 53 H 22.42 -10.09 H 17.55 -14.34 H 19.98 -10.66 C:56 5.39 -11.90 C:18 22.09 -6.78 C:30 27.35 -10.66 C:30 29.14 -9.02 C:19 17.12 -15.17 C:15 15.37 -15.17 C:18 21.26 -8.20 C:26 21.26 -12.48 O 12.66 -11.84 O 5.39 -16.10 O 28.72 -10.35 C:126 25.43 -8.61 C:116 11.44 -13.99 C:144 10.22 -13.31 C:139 26.82 -8.30 C:123 9.00 -15.41 C:115 7.79 -16.10 C:109 7.79 -13.31 C:39 24.47 -7.52 C:27 15.07 -11.77 C:27 23.44 -10.35 C:21 18.78 -13.99 C:28 19.98 -13.31 C:32 16.31 -11.07 C:33 22.57 -11.49 C:36 19.98 -8.91 C:26 18.78 -9.64 C:30 17.55 -10.35 O 5.39 -13.31 O 13.87 -13.99 C:167 12.66 -13.31 C:127 9.00 -13.99 C:148 6.57 -15.41 C:147 6.57 -13.99 C:36 23.03 -7.84 C:81 15.07 -13.31 C:71 27.77 -9.33 C:40 16.31 -13.99 C:52 22.57 -9.19 C:47 17.55 -13.31 C:48 19.98 -11.77 C:45 21.26 -9.64 C:49 21.26 -11.07 C:26 17.55 -11.77 C:20 18.78 -11.07 42 1 -2 43 2 -2 44 3 -1 4 32 1 38 5 -2 6 40 1 7 40 1 41 8 -2 41 9 -1 45 10 -1 46 11 -2 12 34 2 13 36 1 14 40 1 15 18 2 15 22 1 16 17 2 16 34 1 17 35 1 18 40 1 19 20 2 19 35 1 20 36 1 21 35 2 21 37 1 22 38 1 23 27 1 23 39 1 24 28 1 24 42 1 25 26 1 25 43 1 26 44 1 27 47 1 28 46 1 29 30 1 29 45 1 30 48 1 47 31 -1 48 31 -1 32 37 1 33 34 1 39 33 -1 36 37 2 38 42 1 39 41 1 41 43 1 42 45 1 43 47 1 44 46 1 44 48 1 45 46 1 47 48 1', 'C40H58O5', 618.449, 'C', 'np05_94_3', 3167, 'Inversion stereochemistry doble bond', '', '1', 55, NULL, NULL),
(18105, '', '3b,25-Dihydroxy-tirucalla-7,23-diene', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@:17]([H])([C@@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@]([H])([C@@H](C)CC=CC(C)(C)O)CC[C@]1(C)C2=CC[C@@]4([H])[C@](C)(C)[C@@H](O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@:53]([H])([C@@H:37]([CH3:18])[CH2:39][CH:126]=[CH:139][C:71]([CH3:30])([CH3:30])O)[CH2:28][CH2:34][C@:51]1([CH3:27])[C:146]2=[CH:118][CH2:24][C@@:51]4([H])[C@:39]([CH3:15])([CH3:28])[C@@H:79](O)[CH2:28][CH2:37][C@:35]34[CH3:13]', '35 38 H 14.62 -12.51 H 18.14 -10.56 H 13.30 -14.77 C:21 17.91 -7.21 C:27 23.08 -11.14 C:26 24.92 -9.50 C:29 11.28 -15.60 C:28 12.80 -15.65 C:30 17.11 -12.95 C:19 13.30 -10.78 C:18 17.09 -8.64 O 9.63 -14.42 O 24.43 -10.86 C:23 21.18 -9.02 C:24 22.58 -8.73 C:7 15.83 -13.68 C:22 20.25 -7.99 C:6 14.59 -14.39 C:2 10.83 -12.22 C:11 14.59 -10.05 C:1 12.07 -11.48 C:16 19.23 -10.78 C:15 18.42 -11.90 C:12 15.83 -9.33 C:8 15.83 -12.22 C:20 18.85 -8.28 C:3 10.83 -13.68 C:25 23.52 -9.81 C:4 12.07 -14.39 C:9 14.59 -11.48 C:17 18.42 -9.63 C:5 13.30 -13.68 C:14 17.09 -11.48 C:10 13.30 -12.22 C:13 17.09 -10.05 30 1 -2 31 2 -1 32 3 -2 26 4 -1 5 28 1 6 28 1 29 7 -1 29 8 -2 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 21 1 19 27 1 20 24 1 20 30 1 21 34 1 22 23 1 22 31 1 23 33 1 24 35 1 25 30 1 25 33 1 26 31 1 27 29 1 29 32 1 30 34 1 31 35 1 32 34 1 33 35 1', '35 38 H 14.62 -12.51 H 18.14 -10.56 H 13.30 -14.77 C 17.91 -7.21 C 23.08 -11.14 C 24.92 -9.50 C 11.28 -15.60 C 12.80 -15.65 C 17.11 -12.95 C 13.30 -10.78 C 17.09 -8.64 O 9.63 -14.42 O 24.43 -10.86 C 21.18 -9.02 C 22.58 -8.73 C 15.83 -13.68 C 20.25 -7.99 C 14.59 -14.39 C 10.83 -12.22 C 14.59 -10.05 C 12.07 -11.48 C 19.23 -10.78 C 18.42 -11.90 C 15.83 -9.33 C 15.83 -12.22 C 18.85 -8.28 C 10.83 -13.68 C 23.52 -9.81 C 12.07 -14.39 C 14.59 -11.48 C 18.42 -9.63 C 13.30 -13.68 C 17.09 -11.48 C 13.30 -12.22 C 17.09 -10.05 30 1 -2 31 2 -1 32 3 -2 26 4 -1 5 28 1 6 28 1 29 7 -1 29 8 -2 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 21 1 19 27 1 20 24 1 20 30 1 21 34 1 22 23 1 22 31 1 23 33 1 24 35 1 25 30 1 25 33 1 26 31 1 27 29 1 29 32 1 30 34 1 31 35 1 32 34 1 33 35 1', '35 38 H 14.62 -12.51 H 18.14 -10.56 H 13.30 -14.77 C:18 17.91 -7.21 C:30 23.08 -11.14 C:30 24.92 -9.50 C:15 11.28 -15.60 C:28 12.80 -15.65 C:27 17.11 -12.95 C:13 13.30 -10.78 C:22 17.09 -8.64 O 9.63 -14.42 O 24.43 -10.86 C:126 21.18 -9.02 C:139 22.58 -8.73 C:118 15.83 -13.68 C:39 20.25 -7.99 C:24 14.59 -14.39 C:28 10.83 -12.22 C:18 14.59 -10.05 C:37 12.07 -11.48 C:28 19.23 -10.78 C:34 18.42 -11.90 C:34 15.83 -9.33 C:146 15.83 -12.22 C:37 18.85 -8.28 C:79 10.83 -13.68 C:71 23.52 -9.81 C:39 12.07 -14.39 C:49 14.59 -11.48 C:53 18.42 -9.63 C:51 13.30 -13.68 C:51 17.09 -11.48 C:35 13.30 -12.22 C:44 17.09 -10.05 30 1 -2 31 2 -1 32 3 -2 26 4 -1 5 28 1 6 28 1 29 7 -1 29 8 -2 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 21 1 19 27 1 20 24 1 20 30 1 21 34 1 22 23 1 22 31 1 23 33 1 24 35 1 25 30 1 25 33 1 26 31 1 27 29 1 29 32 1 30 34 1 31 35 1 32 34 1 33 35 1', 'C30H50O2', 442.344, 'C', 'ph54_801_3', 1371, 'Inversion double bond:jo07_4578', '', '1', 55, 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
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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
(18143, 'Quadrangularic acid F', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@@H:20]([CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])OO)[C:21](=O)O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O[CH3:28001])[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@@H](CC=CC(C)(C)OO)C(=O)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:49]4([C@@H:50]([CH2:38][CH:128]=[CH:138][C:81]([CH3:25])([CH3:25])OO)[C:178](=O)O)[CH2:27][CH2:35][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:26][CH2:23][C@@:38]1([H])[C@:56]([CH3:9])([C:178](=O)O[CH3:51])[C@@H:70](O)[CH2:39][C@H:72](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:31][C@:46]45[CH3:18]', '42 46 H 17.71 -10.58 H 15.27 -11.14 H 12.81 -14.81 C:28001 14.52 -16.78 C:26 24.42 -9.56 C:27 22.63 -11.20 C:18 16.55 -8.69 C:30 16.55 -12.94 C:29 10.65 -15.66 O 17.82 -5.94 O 11.79 -16.88 O 25.36 -10.62 O 16.00 -7.53 O 9.13 -14.40 O 11.59 -10.15 C:23 20.71 -9.10 C:24 22.10 -8.79 C:22 19.75 -8.00 C:16 18.74 -10.84 C:7 15.27 -13.72 C:6 14.05 -14.40 C:15 17.86 -11.98 C:12 15.27 -9.40 C:11 14.05 -10.15 C:2 10.34 -12.24 C:19 12.81 -10.84 O 13.79 -15.59 O 23.99 -10.90 C:21 17.38 -7.26 C:28 12.39 -15.62 C:3 10.34 -13.72 C:1 11.59 -11.55 C:20 18.32 -8.32 C:25 23.05 -9.85 C:17 17.86 -9.68 C:8 15.27 -12.24 C:5 12.81 -13.72 C:13 16.52 -10.15 C:14 16.52 -11.55 C:4 11.59 -14.40 C:9 14.05 -11.55 C:10 12.81 -12.24 35 1 -2 36 2 -1 37 3 -2 4 27 1 5 34 1 6 34 1 38 7 -1 39 8 -2 40 9 -1 10 29 2 11 30 2 12 28 1 13 29 1 31 14 -1 32 15 -2 16 17 2 16 18 1 17 34 1 18 33 1 19 22 1 19 35 1 20 21 1 20 36 1 21 37 1 22 39 1 23 24 1 23 38 1 24 41 1 25 31 1 25 32 1 41 26 -1 42 26 -1 27 30 1 28 34 1 33 29 -2 40 30 -2 31 40 1 32 42 1 33 35 1 35 38 1 36 39 1 36 41 1 37 40 1 37 42 1 38 39 1 41 42 1', '42 46 H 17.71 -10.58 H 15.27 -11.14 H 12.81 -14.81 C 14.52 -16.78 C 24.42 -9.56 C 22.63 -11.20 C 16.55 -8.69 C 16.55 -12.94 C 10.65 -15.66 O 17.82 -5.94 O 11.79 -16.88 O 25.36 -10.62 O 16.00 -7.53 O 9.13 -14.40 O 11.59 -10.15 C 20.71 -9.10 C 22.10 -8.79 C 19.75 -8.00 C 18.74 -10.84 C 15.27 -13.72 C 14.05 -14.40 C 17.86 -11.98 C 15.27 -9.40 C 14.05 -10.15 C 10.34 -12.24 C 12.81 -10.84 O 13.79 -15.59 O 23.99 -10.90 C 17.38 -7.26 C 12.39 -15.62 C 10.34 -13.72 C 11.59 -11.55 C 18.32 -8.32 C 23.05 -9.85 C 17.86 -9.68 C 15.27 -12.24 C 12.81 -13.72 C 16.52 -10.15 C 16.52 -11.55 C 11.59 -14.40 C 14.05 -11.55 C 12.81 -12.24 35 1 -2 36 2 -1 37 3 -2 4 27 1 5 34 1 6 34 1 38 7 -1 39 8 -2 40 9 -1 10 29 2 11 30 2 12 28 1 13 29 1 31 14 -1 32 15 -2 16 17 2 16 18 1 17 34 1 18 33 1 19 22 1 19 35 1 20 21 1 20 36 1 21 37 1 22 39 1 23 24 1 23 38 1 24 41 1 25 31 1 25 32 1 41 26 -1 42 26 -1 27 30 1 28 34 1 33 29 -2 40 30 -2 31 40 1 32 42 1 33 35 1 35 38 1 36 39 1 36 41 1 37 40 1 37 42 1 38 39 1 41 42 1', '42 46 H 17.71 -10.58 H 15.27 -11.14 H 12.81 -14.81 C:51 14.52 -16.78 C:25 24.42 -9.56 C:25 22.63 -11.20 C:18 16.55 -8.69 C:19 16.55 -12.94 C:9 10.65 -15.66 O 17.82 -5.94 O 11.79 -16.88 O 25.36 -10.62 O 16.00 -7.53 O 9.13 -14.40 O 11.59 -10.15 C:128 20.71 -9.10 C:138 22.10 -8.79 C:38 19.75 -8.00 C:27 18.74 -10.84 C:26 15.27 -13.72 C:23 14.05 -14.40 C:35 17.86 -11.98 C:31 15.27 -9.40 C:26 14.05 -10.15 C:39 10.34 -12.24 C:30 12.81 -10.84 O 13.79 -15.59 O 23.99 -10.90 C:178 17.38 -7.26 C:178 12.39 -15.62 C:70 10.34 -13.72 C:72 11.59 -11.55 C:50 18.32 -8.32 C:81 23.05 -9.85 C:49 17.86 -9.68 C:48 15.27 -12.24 C:38 12.81 -13.72 C:46 16.52 -10.15 C:49 16.52 -11.55 C:56 11.59 -14.40 C:21 14.05 -11.55 C:30 12.81 -12.24 35 1 -2 36 2 -1 37 3 -2 4 27 1 5 34 1 6 34 1 38 7 -1 39 8 -2 40 9 -1 10 29 2 11 30 2 12 28 1 13 29 1 31 14 -1 32 15 -2 16 17 2 16 18 1 17 34 1 18 33 1 19 22 1 19 35 1 20 21 1 20 36 1 21 37 1 22 39 1 23 24 1 23 38 1 24 41 1 25 31 1 25 32 1 41 26 -1 42 26 -1 27 30 1 28 34 1 33 29 -2 40 30 -2 31 40 1 32 42 1 33 35 1 35 38 1 36 39 1 36 41 1 37 40 1 37 42 1 38 39 1 41 42 1', 'C31H48O8', 548.351, 'P', 'np00_57_1', 4563, '', '', '1', 55, NULL, NULL),
(18144, 'Quadrangularic acid G', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@@H:20]([CH2:22][CH2:23][C@H:24](O)[C:25](=[CH2:26])[CH3:27])[C:21](=O)O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O[CH3:28001])[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@@H](CC[C@H](O)C(=C)C)C(=O)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:49]4([C@@H:50]([CH2:30][CH2:35][C@H:76](O)[C:149](=[CH2:111])[CH3:18])[C:179](=O)O)[CH2:26][CH2:34][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:28][CH2:23][C@@:38]1([H])[C@:56]([CH3:9])([C:178](=O)O[CH3:51])[C@@H:70](O)[CH2:39][C@H:72](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:31][C@:46]45[CH3:18]', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C:26 24.87 -9.56 C:28001 14.97 -16.78 C:27 23.08 -11.20 C:18 17.00 -8.69 C:30 17.00 -12.94 C:29 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C:23 21.16 -9.10 C:22 20.20 -8.00 C:16 19.19 -10.84 C:7 15.72 -13.72 C:6 14.50 -14.40 C:15 18.31 -11.98 C:12 15.72 -9.40 C:11 14.50 -10.15 C:2 10.79 -12.24 C:19 13.26 -10.84 O 14.24 -15.59 C:25 23.50 -9.85 C:21 17.83 -7.26 C:28 12.84 -15.62 C:24 22.55 -8.79 C:3 10.79 -13.72 C:1 12.04 -11.55 C:20 18.77 -8.32 C:17 18.31 -9.68 C:8 15.72 -12.24 C:5 13.26 -13.72 C:13 16.97 -10.15 C:14 16.97 -11.55 C:4 12.04 -14.40 C:9 14.50 -11.55 C:10 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -2 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C 24.87 -9.56 C 14.97 -16.78 C 23.08 -11.20 C 17.00 -8.69 C 17.00 -12.94 C 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C 21.16 -9.10 C 20.20 -8.00 C 19.19 -10.84 C 15.72 -13.72 C 14.50 -14.40 C 18.31 -11.98 C 15.72 -9.40 C 14.50 -10.15 C 10.79 -12.24 C 13.26 -10.84 O 14.24 -15.59 C 23.50 -9.85 C 17.83 -7.26 C 12.84 -15.62 C 22.55 -8.79 C 10.79 -13.72 C 12.04 -11.55 C 18.77 -8.32 C 18.31 -9.68 C 15.72 -12.24 C 13.26 -13.72 C 16.97 -10.15 C 16.97 -11.55 C 12.04 -14.40 C 14.50 -11.55 C 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -2 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C:111 24.87 -9.56 C:51 14.97 -16.78 C:18 23.08 -11.20 C:18 17.00 -8.69 C:19 17.00 -12.94 C:9 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C:35 21.16 -9.10 C:30 20.20 -8.00 C:26 19.19 -10.84 C:28 15.72 -13.72 C:23 14.50 -14.40 C:34 18.31 -11.98 C:31 15.72 -9.40 C:26 14.50 -10.15 C:39 10.79 -12.24 C:30 13.26 -10.84 O 14.24 -15.59 C:149 23.50 -9.85 C:179 17.83 -7.26 C:178 12.84 -15.62 C:76 22.55 -8.79 C:70 10.79 -13.72 C:72 12.04 -11.55 C:50 18.77 -8.32 C:49 18.31 -9.68 C:48 15.72 -12.24 C:38 13.26 -13.72 C:46 16.97 -10.15 C:49 16.97 -11.55 C:56 12.04 -14.40 C:21 14.50 -11.55 C:30 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -2 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', 'C31H48O7', 532.351, 'P', 'np00_57_2', 4563, '', '', '1', 55, NULL, NULL),
(18145, '24-Epiquadrangularic acid G', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@@H:20]([CH2:22][CH2:23][C@@H:24](O)[C:25](=[CH2:26])[CH3:27])[C:21](=O)O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O[CH3:28001])[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@@H](CC[C@@H](O)C(=C)C)C(=O)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:49]4([C@@H:50]([CH2:29][CH2:35][C@@H:75](O)[C:150](=[CH2:110])[CH3:18])[C:179](=O)O)[CH2:26][CH2:34][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:28][CH2:23][C@@:38]1([H])[C@:56]([CH3:10])([C:178](=O)O[CH3:51])[C@@H:70](O)[CH2:39][C@H:72](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:31][C@:46]45[CH3:18]', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C:26 24.87 -9.56 C:28001 14.97 -16.78 C:27 23.08 -11.20 C:18 17.00 -8.69 C:30 17.00 -12.94 C:29 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C:23 21.16 -9.10 C:22 20.20 -8.00 C:16 19.19 -10.84 C:7 15.72 -13.72 C:6 14.50 -14.40 C:15 18.31 -11.98 C:12 15.72 -9.40 C:11 14.50 -10.15 C:2 10.79 -12.24 C:19 13.26 -10.84 O 14.24 -15.59 C:25 23.50 -9.85 C:21 17.83 -7.26 C:28 12.84 -15.62 C:24 22.55 -8.79 C:3 10.79 -13.72 C:1 12.04 -11.55 C:20 18.77 -8.32 C:17 18.31 -9.68 C:8 15.72 -12.24 C:5 13.26 -13.72 C:13 16.97 -10.15 C:14 16.97 -11.55 C:4 12.04 -14.40 C:9 14.50 -11.55 C:10 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -1 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C 24.87 -9.56 C 14.97 -16.78 C 23.08 -11.20 C 17.00 -8.69 C 17.00 -12.94 C 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C 21.16 -9.10 C 20.20 -8.00 C 19.19 -10.84 C 15.72 -13.72 C 14.50 -14.40 C 18.31 -11.98 C 15.72 -9.40 C 14.50 -10.15 C 10.79 -12.24 C 13.26 -10.84 O 14.24 -15.59 C 23.50 -9.85 C 17.83 -7.26 C 12.84 -15.62 C 22.55 -8.79 C 10.79 -13.72 C 12.04 -11.55 C 18.77 -8.32 C 18.31 -9.68 C 15.72 -12.24 C 13.26 -13.72 C 16.97 -10.15 C 16.97 -11.55 C 12.04 -14.40 C 14.50 -11.55 C 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -1 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', '41 45 H 18.16 -10.58 H 15.72 -11.14 H 13.26 -14.81 C:110 24.87 -9.56 C:51 14.97 -16.78 C:18 23.08 -11.20 C:18 17.00 -8.69 C:19 17.00 -12.94 C:10 11.10 -15.66 O 18.27 -5.94 O 12.24 -16.88 O 16.45 -7.53 O 22.98 -7.46 O 9.58 -14.40 O 12.04 -10.15 C:35 21.16 -9.10 C:29 20.20 -8.00 C:26 19.19 -10.84 C:28 15.72 -13.72 C:23 14.50 -14.40 C:34 18.31 -11.98 C:31 15.72 -9.40 C:26 14.50 -10.15 C:39 10.79 -12.24 C:30 13.26 -10.84 O 14.24 -15.59 C:150 23.50 -9.85 C:179 17.83 -7.26 C:178 12.84 -15.62 C:75 22.55 -8.79 C:70 10.79 -13.72 C:72 12.04 -11.55 C:50 18.77 -8.32 C:49 18.31 -9.68 C:48 15.72 -12.24 C:38 13.26 -13.72 C:46 16.97 -10.15 C:49 16.97 -11.55 C:56 12.04 -14.40 C:21 14.50 -11.55 C:30 13.26 -12.24 34 1 -2 35 2 -1 36 3 -2 4 27 2 5 26 1 6 27 1 37 7 -1 38 8 -2 39 9 -1 10 28 2 11 29 2 12 28 1 30 13 -1 31 14 -1 32 15 -2 16 17 1 16 30 1 17 33 1 18 21 1 18 34 1 19 20 1 19 35 1 20 36 1 21 38 1 22 23 1 22 37 1 23 40 1 24 31 1 24 32 1 40 25 -1 41 25 -1 26 29 1 27 30 1 33 28 -2 39 29 -2 31 39 1 32 41 1 33 34 1 34 37 1 35 38 1 35 40 1 36 39 1 36 41 1 37 38 1 40 41 1', 'C31H48O7', 532.351, 'P', 'np00_57_3', 4563, '', '', '1', 55, NULL, NULL),
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(18149, 'Quadrangularic acid K', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O)[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CC=CC(C)(C)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:37]([CH3:18])[CH2:39][CH:124]=[CH:141][C:70]([CH3:30])([CH3:31])O)[CH2:26][CH2:36][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:28][CH2:23][C@@:38]1([H])[C@:56]([CH3:10])([C:180](=O)O)[C@@H:71](O)[CH2:39][C@H:72](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:33][C@:45]45[CH3:18]', '38 42 H 18.20 -9.96 H 15.77 -10.52 H 13.31 -14.19 C:21 17.87 -6.64 C:27 23.12 -10.58 C:26 24.91 -8.94 C:18 17.04 -8.07 C:30 17.04 -12.32 C:29 11.15 -15.04 O 12.29 -16.26 O 14.29 -14.97 O 9.63 -13.78 O 12.09 -9.53 O 24.48 -10.28 C:23 21.20 -8.48 C:24 22.59 -8.17 C:22 20.24 -7.38 C:16 19.23 -10.22 C:7 15.77 -13.10 C:6 14.55 -13.78 C:15 18.35 -11.36 C:12 15.77 -8.78 C:11 14.55 -9.53 C:2 10.84 -11.62 C:19 13.31 -10.22 C:28 12.89 -15.00 C:20 18.81 -7.70 C:3 10.84 -13.10 C:1 12.09 -10.93 C:25 23.54 -9.23 C:17 18.35 -9.06 C:8 15.77 -11.62 C:5 13.31 -13.10 C:13 17.01 -9.53 C:14 17.01 -10.93 C:4 12.09 -13.78 C:9 14.55 -10.93 C:10 13.31 -11.62 31 1 -2 32 2 -1 33 3 -2 27 4 -2 5 30 1 6 30 1 34 7 -1 35 8 -2 36 9 -1 10 26 2 11 26 1 28 12 -1 29 13 -2 14 30 1 15 16 2 15 17 1 16 30 1 17 27 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 37 1 24 28 1 24 29 1 37 25 -1 38 25 -1 36 26 -2 27 31 1 28 36 1 29 38 1 31 34 1 32 35 1 32 37 1 33 36 1 33 38 1 34 35 1 37 38 1', '38 42 H 18.20 -9.96 H 15.77 -10.52 H 13.31 -14.19 C 17.87 -6.64 C 23.12 -10.58 C 24.91 -8.94 C 17.04 -8.07 C 17.04 -12.32 C 11.15 -15.04 O 12.29 -16.26 O 14.29 -14.97 O 9.63 -13.78 O 12.09 -9.53 O 24.48 -10.28 C 21.20 -8.48 C 22.59 -8.17 C 20.24 -7.38 C 19.23 -10.22 C 15.77 -13.10 C 14.55 -13.78 C 18.35 -11.36 C 15.77 -8.78 C 14.55 -9.53 C 10.84 -11.62 C 13.31 -10.22 C 12.89 -15.00 C 18.81 -7.70 C 10.84 -13.10 C 12.09 -10.93 C 23.54 -9.23 C 18.35 -9.06 C 15.77 -11.62 C 13.31 -13.10 C 17.01 -9.53 C 17.01 -10.93 C 12.09 -13.78 C 14.55 -10.93 C 13.31 -11.62 31 1 -2 32 2 -1 33 3 -2 27 4 -2 5 30 1 6 30 1 34 7 -1 35 8 -2 36 9 -1 10 26 2 11 26 1 28 12 -1 29 13 -2 14 30 1 15 16 2 15 17 1 16 30 1 17 27 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 37 1 24 28 1 24 29 1 37 25 -1 38 25 -1 36 26 -2 27 31 1 28 36 1 29 38 1 31 34 1 32 35 1 32 37 1 33 36 1 33 38 1 34 35 1 37 38 1', '38 42 H 18.20 -9.96 H 15.77 -10.52 H 13.31 -14.19 C:18 17.87 -6.64 C:30 23.12 -10.58 C:31 24.91 -8.94 C:18 17.04 -8.07 C:19 17.04 -12.32 C:10 11.15 -15.04 O 12.29 -16.26 O 14.29 -14.97 O 9.63 -13.78 O 12.09 -9.53 O 24.48 -10.28 C:124 21.20 -8.48 C:141 22.59 -8.17 C:39 20.24 -7.38 C:26 19.23 -10.22 C:28 15.77 -13.10 C:23 14.55 -13.78 C:36 18.35 -11.36 C:33 15.77 -8.78 C:26 14.55 -9.53 C:39 10.84 -11.62 C:30 13.31 -10.22 C:180 12.89 -15.00 C:37 18.81 -7.70 C:71 10.84 -13.10 C:72 12.09 -10.93 C:70 23.54 -9.23 C:52 18.35 -9.06 C:48 15.77 -11.62 C:38 13.31 -13.10 C:45 17.01 -9.53 C:49 17.01 -10.93 C:56 12.09 -13.78 C:21 14.55 -10.93 C:30 13.31 -11.62 31 1 -2 32 2 -1 33 3 -2 27 4 -2 5 30 1 6 30 1 34 7 -1 35 8 -2 36 9 -1 10 26 2 11 26 1 28 12 -1 29 13 -2 14 30 1 15 16 2 15 17 1 16 30 1 17 27 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 37 1 24 28 1 24 29 1 37 25 -1 38 25 -1 36 26 -2 27 31 1 28 36 1 29 38 1 31 34 1 32 35 1 32 37 1 33 36 1 33 38 1 34 35 1 37 38 1', 'C30H48O5', 488.342, 'P', 'np00_57_7', 4563, 'Doble bond 23-E. Corrected in jo07_4578', '', '1', 55, NULL, NULL),
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(18154, '', '7β-Hydroxy-23-deoxojessic acid', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[C@@H:7](O)[CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O)[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=C)C(C)C)CC[C@@]5(C)[C@]2([H])[C@@H](O)C[C@@]1([H])[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:19])[CH2:35][CH2:32][C:157](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[CH2:29][CH2:38][C@@:49]5([CH3:19])[C@:55]2([H])[C@@H:70](O)[CH2:34][C@@:37]1([H])[C@:55]([CH3:10])([C:180](=O)O)[C@@H:71](O)[CH2:39][C@H:73](O)[C@@:31]13[CH2:28][C@@:21]23[CH2:27][CH2:33][C@:46]45[CH3:18]', '39 43 H 18.16 -9.91 H 13.26 -14.14 H 15.72 -10.47 C:24001 22.98 -6.79 C:26 24.87 -8.89 C:27 23.08 -10.53 C:21 17.83 -6.59 C:18 17.00 -8.02 C:30 17.00 -12.27 C:29 11.10 -14.99 O 12.24 -16.21 O 14.24 -14.92 O 9.58 -13.73 O 16.89 -13.82 O 12.04 -9.48 C:23 21.16 -8.43 C:22 20.20 -7.33 C:16 19.19 -10.17 C:15 18.31 -11.31 C:12 15.72 -8.73 C:11 14.50 -9.48 C:2 10.79 -11.57 C:6 14.50 -13.73 C:19 13.26 -10.17 C:24 22.55 -8.12 C:28 12.84 -14.95 C:25 23.50 -9.18 C:20 18.77 -7.65 C:3 10.79 -13.05 C:7 15.72 -13.05 C:1 12.04 -10.88 C:17 18.31 -9.01 C:5 13.26 -13.05 C:8 15.72 -11.57 C:13 16.97 -9.48 C:14 16.97 -10.88 C:4 12.04 -13.73 C:9 14.50 -10.88 C:10 13.26 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 2 5 27 1 6 27 1 28 7 -2 35 8 -1 36 9 -2 37 10 -1 11 26 2 12 26 1 29 13 -1 30 14 -1 31 15 -2 16 17 1 16 25 1 17 28 1 18 19 1 18 32 1 19 36 1 20 21 1 20 35 1 21 38 1 22 29 1 22 31 1 23 30 1 23 33 1 38 24 -1 39 24 -1 25 27 1 37 26 -2 28 32 1 29 37 1 30 34 1 31 39 1 32 35 1 33 37 1 33 39 1 34 36 1 34 38 1 35 36 1 38 39 1', '39 43 H 18.16 -9.91 H 13.26 -14.14 H 15.72 -10.47 C 22.98 -6.79 C 24.87 -8.89 C 23.08 -10.53 C 17.83 -6.59 C 17.00 -8.02 C 17.00 -12.27 C 11.10 -14.99 O 12.24 -16.21 O 14.24 -14.92 O 9.58 -13.73 O 16.89 -13.82 O 12.04 -9.48 C 21.16 -8.43 C 20.20 -7.33 C 19.19 -10.17 C 18.31 -11.31 C 15.72 -8.73 C 14.50 -9.48 C 10.79 -11.57 C 14.50 -13.73 C 13.26 -10.17 C 22.55 -8.12 C 12.84 -14.95 C 23.50 -9.18 C 18.77 -7.65 C 10.79 -13.05 C 15.72 -13.05 C 12.04 -10.88 C 18.31 -9.01 C 13.26 -13.05 C 15.72 -11.57 C 16.97 -9.48 C 16.97 -10.88 C 12.04 -13.73 C 14.50 -10.88 C 13.26 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 2 5 27 1 6 27 1 28 7 -2 35 8 -1 36 9 -2 37 10 -1 11 26 2 12 26 1 29 13 -1 30 14 -1 31 15 -2 16 17 1 16 25 1 17 28 1 18 19 1 18 32 1 19 36 1 20 21 1 20 35 1 21 38 1 22 29 1 22 31 1 23 30 1 23 33 1 38 24 -1 39 24 -1 25 27 1 37 26 -2 28 32 1 29 37 1 30 34 1 31 39 1 32 35 1 33 37 1 33 39 1 34 36 1 34 38 1 35 36 1 38 39 1', '39 43 H 18.16 -9.91 H 13.26 -14.14 H 15.72 -10.47 C:107 22.98 -6.79 C:22 24.87 -8.89 C:22 23.08 -10.53 C:19 17.83 -6.59 C:18 17.00 -8.02 C:19 17.00 -12.27 C:10 11.10 -14.99 O 12.24 -16.21 O 14.24 -14.92 O 9.58 -13.73 O 16.89 -13.82 O 12.04 -9.48 C:32 21.16 -8.43 C:35 20.20 -7.33 C:29 19.19 -10.17 C:38 18.31 -11.31 C:33 15.72 -8.73 C:27 14.50 -9.48 C:39 10.79 -11.57 C:34 14.50 -13.73 C:28 13.26 -10.17 C:157 22.55 -8.12 C:180 12.84 -14.95 C:34 23.50 -9.18 C:36 18.77 -7.65 C:71 10.79 -13.05 C:70 15.72 -13.05 C:73 12.04 -10.88 C:52 18.31 -9.01 C:37 13.26 -13.05 C:55 15.72 -11.57 C:46 16.97 -9.48 C:49 16.97 -10.88 C:55 12.04 -13.73 C:21 14.50 -10.88 C:31 13.26 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 2 5 27 1 6 27 1 28 7 -2 35 8 -1 36 9 -2 37 10 -1 11 26 2 12 26 1 29 13 -1 30 14 -1 31 15 -2 16 17 1 16 25 1 17 28 1 18 19 1 18 32 1 19 36 1 20 21 1 20 35 1 21 38 1 22 29 1 22 31 1 23 30 1 23 33 1 38 24 -1 39 24 -1 25 27 1 37 26 -2 28 32 1 29 37 1 30 34 1 31 39 1 32 35 1 33 37 1 33 39 1 34 36 1 34 38 1 35 36 1 38 39 1', 'C31H50O5', 502.353, 'P', 'np00_57_12', 4563, '', '', '1', 55, 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
(18155, 'Norquadrangularic acid A', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=O)O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O)[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=O)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]45C', '[H][C@:53]4([C@H:36]([CH3:18])[CH2:32][CH2:32][C:177](=O)O)[CH2:26][CH2:36][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:28][CH2:23][C@@:39]1([H])[C@:56]([CH3:10])([C:180](=O)O)[C@@H:71](O)[CH2:38][C@H:73](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:33][C@:46]45[CH3:18]', '36 40 H 18.89 -9.91 H 16.45 -10.47 H 13.99 -14.14 C:21 18.56 -6.59 C:18 17.73 -8.02 C:30 17.73 -12.27 C:29 11.83 -14.99 O 23.72 -6.79 O 12.97 -16.22 O 24.24 -9.18 O 14.97 -14.92 O 10.31 -13.73 O 12.77 -9.48 C:23 21.89 -8.43 C:22 20.93 -7.33 C:16 19.92 -10.17 C:7 16.45 -13.05 C:6 15.23 -13.73 C:15 19.04 -11.31 C:12 16.45 -8.73 C:11 15.23 -9.48 C:2 11.52 -11.57 C:19 13.99 -10.17 C:24 23.29 -8.12 C:28 13.57 -14.95 C:20 19.50 -7.65 C:3 11.52 -13.05 C:1 12.77 -10.88 C:17 19.04 -9.01 C:8 16.45 -11.57 C:5 13.99 -13.05 C:13 17.70 -9.48 C:14 17.70 -10.88 C:4 12.77 -13.73 C:9 15.23 -10.88 C:10 13.99 -11.57 29 1 -2 30 2 -1 31 3 -2 26 4 -2 32 5 -1 33 6 -2 34 7 -1 8 24 2 9 25 2 10 24 1 11 25 1 27 12 -1 28 13 -2 14 15 1 14 24 1 15 26 1 16 19 1 16 29 1 17 18 1 17 30 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 27 1 22 28 1 35 23 -1 36 23 -1 34 25 -2 26 29 1 27 34 1 28 36 1 29 32 1 30 33 1 30 35 1 31 34 1 31 36 1 32 33 1 35 36 1', '36 40 H 18.89 -9.91 H 16.45 -10.47 H 13.99 -14.14 C 18.56 -6.59 C 17.73 -8.02 C 17.73 -12.27 C 11.83 -14.99 O 23.72 -6.79 O 12.97 -16.22 O 24.24 -9.18 O 14.97 -14.92 O 10.31 -13.73 O 12.77 -9.48 C 21.89 -8.43 C 20.93 -7.33 C 19.92 -10.17 C 16.45 -13.05 C 15.23 -13.73 C 19.04 -11.31 C 16.45 -8.73 C 15.23 -9.48 C 11.52 -11.57 C 13.99 -10.17 C 23.29 -8.12 C 13.57 -14.95 C 19.50 -7.65 C 11.52 -13.05 C 12.77 -10.88 C 19.04 -9.01 C 16.45 -11.57 C 13.99 -13.05 C 17.70 -9.48 C 17.70 -10.88 C 12.77 -13.73 C 15.23 -10.88 C 13.99 -11.57 29 1 -2 30 2 -1 31 3 -2 26 4 -2 32 5 -1 33 6 -2 34 7 -1 8 24 2 9 25 2 10 24 1 11 25 1 27 12 -1 28 13 -2 14 15 1 14 24 1 15 26 1 16 19 1 16 29 1 17 18 1 17 30 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 27 1 22 28 1 35 23 -1 36 23 -1 34 25 -2 26 29 1 27 34 1 28 36 1 29 32 1 30 33 1 30 35 1 31 34 1 31 36 1 32 33 1 35 36 1', '36 40 H 18.89 -9.91 H 16.45 -10.47 H 13.99 -14.14 C:18 18.56 -6.59 C:18 17.73 -8.02 C:19 17.73 -12.27 C:10 11.83 -14.99 O 23.72 -6.79 O 12.97 -16.22 O 24.24 -9.18 O 14.97 -14.92 O 10.31 -13.73 O 12.77 -9.48 C:32 21.89 -8.43 C:32 20.93 -7.33 C:26 19.92 -10.17 C:28 16.45 -13.05 C:23 15.23 -13.73 C:36 19.04 -11.31 C:33 16.45 -8.73 C:26 15.23 -9.48 C:38 11.52 -11.57 C:30 13.99 -10.17 C:177 23.29 -8.12 C:180 13.57 -14.95 C:36 19.50 -7.65 C:71 11.52 -13.05 C:73 12.77 -10.88 C:53 19.04 -9.01 C:48 16.45 -11.57 C:39 13.99 -13.05 C:46 17.70 -9.48 C:49 17.70 -10.88 C:56 12.77 -13.73 C:21 15.23 -10.88 C:30 13.99 -11.57 29 1 -2 30 2 -1 31 3 -2 26 4 -2 32 5 -1 33 6 -2 34 7 -1 8 24 2 9 25 2 10 24 1 11 25 1 27 12 -1 28 13 -2 14 15 1 14 24 1 15 26 1 16 19 1 16 29 1 17 18 1 17 30 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 27 1 22 28 1 35 23 -1 36 23 -1 34 25 -2 26 29 1 27 34 1 28 36 1 29 32 1 30 33 1 30 35 1 31 34 1 31 36 1 32 33 1 35 36 1', 'C27H42O6', 462.309, 'P', 'np00_57_13', 4563, '', '', '1', 55, NULL, NULL),
(18156, '', '(22E)-25,26,27-trisnor-3-oxocycloart-22-en-24-al', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH:22]=[CH:23][CH:24]=O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)C=CC=O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C)C(=O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:51]4([C@H:41]([CH3:19])[CH:164]=[CH:131][CH:194]=O)[CH2:28][CH2:36][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:26][CH2:22][C@@:48]1([H])[C@:50]([CH3:21])([CH3:22])[C:217](=O)[CH2:37][CH2:33][C@@:26]13[CH2:30][C@@:21]23[CH2:27][CH2:33][C@:46]45[CH3:18]', '32 36 H 18.85 -10.54 H 13.95 -14.77 H 16.41 -11.10 C:21 18.52 -7.21 C:29 11.78 -15.62 C:28 13.53 -15.58 C:18 17.69 -8.65 C:30 17.69 -12.90 O 24.19 -9.78 O 10.26 -14.36 C:24 23.24 -8.75 C:23 21.85 -9.06 C:22 20.89 -7.95 C:2 11.47 -12.20 C:16 19.88 -10.80 C:1 12.72 -11.51 C:6 15.19 -14.36 C:7 16.41 -13.68 C:15 19.00 -11.94 C:12 16.41 -9.36 C:11 15.19 -10.11 C:19 13.95 -10.80 C:3 11.47 -13.68 C:20 19.46 -8.27 C:4 12.72 -14.36 C:17 19.00 -9.64 C:5 13.95 -13.68 C:8 16.41 -12.20 C:13 17.66 -10.11 C:14 17.66 -11.51 C:10 13.95 -12.20 C:9 15.19 -11.51 26 1 -2 27 2 -2 28 3 -1 24 4 -2 25 5 -1 25 6 -2 29 7 -1 30 8 -2 9 11 2 10 23 2 11 12 1 12 13 2 13 24 1 14 16 1 14 23 1 15 19 1 15 26 1 16 31 1 17 18 1 17 27 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 31 22 -1 32 22 -1 23 25 1 24 26 1 25 27 1 26 29 1 27 31 1 28 30 1 28 32 1 29 30 1 31 32 1', '32 36 H 18.85 -10.54 H 13.95 -14.77 H 16.41 -11.10 C 18.52 -7.21 C 11.78 -15.62 C 13.53 -15.58 C 17.69 -8.65 C 17.69 -12.90 O 24.19 -9.78 O 10.26 -14.36 C 23.24 -8.75 C 21.85 -9.06 C 20.89 -7.95 C 11.47 -12.20 C 19.88 -10.80 C 12.72 -11.51 C 15.19 -14.36 C 16.41 -13.68 C 19.00 -11.94 C 16.41 -9.36 C 15.19 -10.11 C 13.95 -10.80 C 11.47 -13.68 C 19.46 -8.27 C 12.72 -14.36 C 19.00 -9.64 C 13.95 -13.68 C 16.41 -12.20 C 17.66 -10.11 C 17.66 -11.51 C 13.95 -12.20 C 15.19 -11.51 26 1 -2 27 2 -2 28 3 -1 24 4 -2 25 5 -1 25 6 -2 29 7 -1 30 8 -2 9 11 2 10 23 2 11 12 1 12 13 2 13 24 1 14 16 1 14 23 1 15 19 1 15 26 1 16 31 1 17 18 1 17 27 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 31 22 -1 32 22 -1 23 25 1 24 26 1 25 27 1 26 29 1 27 31 1 28 30 1 28 32 1 29 30 1 31 32 1', '32 36 H 18.85 -10.54 H 13.95 -14.77 H 16.41 -11.10 C:19 18.52 -7.21 C:21 11.78 -15.62 C:22 13.53 -15.58 C:18 17.69 -8.65 C:19 17.69 -12.90 O 24.19 -9.78 O 10.26 -14.36 C:194 23.24 -8.75 C:131 21.85 -9.06 C:164 20.89 -7.95 C:37 11.47 -12.20 C:28 19.88 -10.80 C:33 12.72 -11.51 C:22 15.19 -14.36 C:26 16.41 -13.68 C:36 19.00 -11.94 C:33 16.41 -9.36 C:27 15.19 -10.11 C:30 13.95 -10.80 C:217 11.47 -13.68 C:41 19.46 -8.27 C:50 12.72 -14.36 C:51 19.00 -9.64 C:48 13.95 -13.68 C:48 16.41 -12.20 C:46 17.66 -10.11 C:49 17.66 -11.51 C:26 13.95 -12.20 C:21 15.19 -11.51 26 1 -2 27 2 -2 28 3 -1 24 4 -2 25 5 -1 25 6 -2 29 7 -1 30 8 -2 9 11 2 10 23 2 11 12 1 12 13 2 13 24 1 14 16 1 14 23 1 15 19 1 15 26 1 16 31 1 17 18 1 17 27 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 31 22 -1 32 22 -1 23 25 1 24 26 1 25 27 1 26 29 1 27 31 1 28 30 1 28 32 1 29 30 1 31 32 1', 'C27H40O2', 396.312, 'C', 'np96_343_1', 4564, '', '', '1', 55, NULL, NULL),
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