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
(3691, 'Machaerogenin', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH2:30]O)[C@@H:21]6[CH2:22][C@@:17]1([CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]5([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]45[CH3:25])[C:28](=O)O6', '[H][C@@]12C[C@@](C)(CO)[C@@H]6C[C@@]1(CC[C@]3(C)C2=CC[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@@](C)(C)[C@@H](O)CC[C@@]45C)C(=O)O6', '[H][C@@:40]12[CH2:30][C@@:39]([CH3:22])([CH2:68]O)[C@@H:80]6[CH2:37][C@@:44]1([CH2:27][CH2:24][C@:42]3([CH3:24])[C:141]2=[CH:122][CH2:24][C@@:48]5([H])[C@@:40]3([CH3:16])[CH2:33][CH2:19][C@@:56]4([H])[C@@:39]([CH3:29])([CH3:16])[C@@H:78](O)[CH2:28][CH2:39][C@@:38]45[CH3:16])[C:182](=O)O6', '37 42 H 17.15 -7.90 H 12.28 -11.89 H 13.56 -9.71 C:24 10.33 -12.71 C:23 11.79 -12.75 C:29 19.16 -3.41 C:27 15.97 -10.14 C:26 14.75 -8.03 C:25 12.28 -8.03 O 20.80 -8.83 O 16.22 -3.49 O 8.74 -11.58 C:12 14.74 -6.66 C:30 17.57 -3.40 C:2 9.91 -9.43 C:11 13.53 -7.33 C:1 11.08 -8.71 C:15 17.15 -9.43 C:6 13.53 -11.53 C:7 14.74 -10.85 C:16 18.35 -8.71 C:22 19.57 -6.66 C:19 17.15 -5.26 O 20.90 -5.68 C:28 19.97 -7.70 C:13 15.95 -7.33 C:3 9.91 -10.85 C:21 19.57 -5.26 C:4 11.08 -11.53 C:20 18.35 -4.54 C:18 17.15 -6.66 C:14 15.95 -8.71 C:5 12.28 -10.85 C:9 13.53 -8.71 C:8 14.74 -9.43 C:10 12.28 -9.43 C:17 18.35 -7.33 31 1 -1 33 2 -2 34 3 -2 29 4 -1 29 5 -2 30 6 -2 32 7 -2 35 8 -1 36 9 -1 10 25 2 11 14 1 27 12 -1 13 16 1 13 26 2 30 14 -1 15 17 1 15 27 1 16 34 1 17 36 1 18 21 1 18 32 1 19 20 1 19 33 1 20 35 1 21 37 1 22 28 1 22 37 1 23 30 1 23 31 1 24 25 1 28 24 -1 37 25 -1 26 31 1 26 32 1 27 29 1 28 30 1 29 33 1 31 37 1 32 35 1 33 36 1 34 35 1 34 36 1', '37 42 H 17.15 -7.90 H 12.28 -11.89 H 13.56 -9.71 C 10.33 -12.71 C 11.79 -12.75 C 19.16 -3.41 C 15.97 -10.14 C 14.75 -8.03 C 12.28 -8.03 O 20.80 -8.83 O 16.22 -3.49 O 8.74 -11.58 C 14.74 -6.66 C 17.57 -3.40 C 9.91 -9.43 C 13.53 -7.33 C 11.08 -8.71 C 17.15 -9.43 C 13.53 -11.53 C 14.74 -10.85 C 18.35 -8.71 C 19.57 -6.66 C 17.15 -5.26 O 20.90 -5.68 C 19.97 -7.70 C 15.95 -7.33 C 9.91 -10.85 C 19.57 -5.26 C 11.08 -11.53 C 18.35 -4.54 C 17.15 -6.66 C 15.95 -8.71 C 12.28 -10.85 C 13.53 -8.71 C 14.74 -9.43 C 12.28 -9.43 C 18.35 -7.33 31 1 -1 33 2 -2 34 3 -2 29 4 -1 29 5 -2 30 6 -2 32 7 -2 35 8 -1 36 9 -1 10 25 2 11 14 1 27 12 -1 13 16 1 13 26 2 30 14 -1 15 17 1 15 27 1 16 34 1 17 36 1 18 21 1 18 32 1 19 20 1 19 33 1 20 35 1 21 37 1 22 28 1 22 37 1 23 30 1 23 31 1 24 25 1 28 24 -1 37 25 -1 26 31 1 26 32 1 27 29 1 28 30 1 29 33 1 31 37 1 32 35 1 33 36 1 34 35 1 34 36 1', '37 42 H 17.15 -7.90 H 12.28 -11.89 H 13.56 -9.71 C:16 10.33 -12.71 C:29 11.79 -12.75 C:22 19.16 -3.41 C:24 15.97 -10.14 C:16 14.75 -8.03 C:16 12.28 -8.03 O 20.80 -8.83 O 16.22 -3.49 O 8.74 -11.58 C:122 14.74 -6.66 C:68 17.57 -3.40 C:28 9.91 -9.43 C:24 13.53 -7.33 C:39 11.08 -8.71 C:24 17.15 -9.43 C:19 13.53 -11.53 C:33 14.74 -10.85 C:27 18.35 -8.71 C:37 19.57 -6.66 C:30 17.15 -5.26 O 20.90 -5.68 C:182 19.97 -7.70 C:141 15.95 -7.33 C:78 9.91 -10.85 C:80 19.57 -5.26 C:39 11.08 -11.53 C:39 18.35 -4.54 C:40 17.15 -6.66 C:42 15.95 -8.71 C:56 12.28 -10.85 C:48 13.53 -8.71 C:40 14.74 -9.43 C:38 12.28 -9.43 C:44 18.35 -7.33 31 1 -1 33 2 -2 34 3 -2 29 4 -1 29 5 -2 30 6 -2 32 7 -2 35 8 -1 36 9 -1 10 25 2 11 14 1 27 12 -1 13 16 1 13 26 2 30 14 -1 15 17 1 15 27 1 16 34 1 17 36 1 18 21 1 18 32 1 19 20 1 19 33 1 20 35 1 21 37 1 22 28 1 22 37 1 23 30 1 23 31 1 24 25 1 28 24 -1 37 25 -1 26 31 1 26 32 1 27 29 1 28 30 1 29 33 1 31 37 1 32 35 1 33 36 1 34 35 1 34 36 1', 'C30H46O4', 470.342, 'P', 'M-316', 1195, 'Igual a 1558-51', '', '3', 1, NULL, NULL),
(3692, '16P-Hydroxystellatogenin', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]1([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@@:13]3([H])[C@@:14]1([CH3:27])[CH2:15][C@H:16](O)[C@:17]24[CH2:22][C@H:21](O[C:28]2=O)[C@@H:19]([C:20]([CH3:30])([CH3:29])O)[C@:18]34[H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]56CC[C@]1(C)[C@]([H])(CC[C@@]3([H])[C@@]1(C)C[C@H](O)[C@]24C[C@H](OC2=O)[C@@H](C(C)(C)O)[C@]34[H])[C@@]5(C)CC[C@H](O)[C@@]6(C)C', '[H][C@@:56]56[CH2:19][CH2:35][C@:42]1([CH3:16])[C@:50]([H])([CH2:21][CH2:29][C@@:40]3([H])[C@@:45]1([CH3:16])[CH2:37][C@H:68](O)[C@:59]24[CH2:43][C@H:82](O[C:177]2=O)[C@@H:56]([C:69]([CH3:31])([CH3:31])O)[C@:43]34[H])[C@@:37]5([CH3:16])[CH2:29][CH2:28][C@H:78](O)[C@@:39]6([CH3:16])[CH3:29]', '39 44 H 10.88 -12.05 H 14.62 -6.49 H 12.13 -9.89 H 15.87 -7.84 C:29 15.66 -3.02 C:30 13.84 -4.67 C:23 10.47 -13.03 C:24 8.69 -13.08 C:25 10.88 -8.25 C:27 14.62 -10.40 C:26 13.38 -8.25 C:2 8.40 -9.67 C:3 8.40 -11.12 C:12 13.38 -6.80 C:11 12.13 -7.53 C:6 12.13 -11.84 C:16 17.12 -8.96 C:1 9.65 -8.96 C:7 13.38 -11.12 C:15 15.87 -9.67 C:28 18.61 -7.43 C:22 18.16 -6.56 O 19.04 -6.03 C:20 15.23 -4.37 C:21 17.58 -5.25 C:19 16.16 -5.41 C:4 9.65 -11.84 C:5 10.88 -11.12 C:13 14.62 -7.53 C:9 12.13 -8.96 C:17 17.12 -7.53 C:18 15.87 -6.80 C:10 10.88 -9.67 C:14 14.62 -8.96 C:8 13.38 -9.67 O 19.50 -8.51 O 7.19 -11.83 O 18.33 -9.66 O 14.28 -3.34 28 1 -2 29 2 -1 30 3 -2 32 4 -2 5 24 1 6 24 1 27 7 -2 27 8 -1 33 9 -1 34 10 -2 35 11 -1 12 13 1 12 18 1 13 27 1 14 15 1 14 29 1 15 30 1 16 19 1 16 28 1 17 20 1 17 31 1 18 33 1 19 35 1 20 34 1 21 23 1 31 21 -1 22 25 1 22 31 1 25 23 -1 26 24 -2 25 26 1 26 32 1 27 28 1 28 33 1 29 32 1 29 34 1 30 33 1 30 35 1 31 32 1 34 35 1 21 36 2 13 37 -1 17 38 -1 24 39 1', '39 44 H 10.88 -12.05 H 14.62 -6.49 H 12.13 -9.89 H 15.87 -7.84 C 15.66 -3.02 C 13.84 -4.67 C 10.47 -13.03 C 8.69 -13.08 C 10.88 -8.25 C 14.62 -10.40 C 13.38 -8.25 C 8.40 -9.67 C 8.40 -11.12 C 13.38 -6.80 C 12.13 -7.53 C 12.13 -11.84 C 17.12 -8.96 C 9.65 -8.96 C 13.38 -11.12 C 15.87 -9.67 C 18.61 -7.43 C 18.16 -6.56 O 19.04 -6.03 C 15.23 -4.37 C 17.58 -5.25 C 16.16 -5.41 C 9.65 -11.84 C 10.88 -11.12 C 14.62 -7.53 C 12.13 -8.96 C 17.12 -7.53 C 15.87 -6.80 C 10.88 -9.67 C 14.62 -8.96 C 13.38 -9.67 O 19.50 -8.51 O 7.19 -11.83 O 18.33 -9.66 O 14.28 -3.34 28 1 -2 29 2 -1 30 3 -2 32 4 -2 5 24 1 6 24 1 27 7 -2 27 8 -1 33 9 -1 34 10 -2 35 11 -1 12 13 1 12 18 1 13 27 1 14 15 1 14 29 1 15 30 1 16 19 1 16 28 1 17 20 1 17 31 1 18 33 1 19 35 1 20 34 1 21 23 1 31 21 -1 22 25 1 22 31 1 25 23 -1 26 24 -2 25 26 1 26 32 1 27 28 1 28 33 1 29 32 1 29 34 1 30 33 1 30 35 1 31 32 1 34 35 1 21 36 2 13 37 -1 17 38 -1 24 39 1', '39 44 H 10.88 -12.05 H 14.62 -6.49 H 12.13 -9.89 H 15.87 -7.84 C:31 15.66 -3.02 C:31 13.84 -4.67 C:29 10.47 -13.03 C:16 8.69 -13.08 C:16 10.88 -8.25 C:16 14.62 -10.40 C:16 13.38 -8.25 C:28 8.40 -9.67 C:78 8.40 -11.12 C:29 13.38 -6.80 C:21 12.13 -7.53 C:19 12.13 -11.84 C:68 17.12 -8.96 C:29 9.65 -8.96 C:35 13.38 -11.12 C:37 15.87 -9.67 C:177 18.61 -7.43 C:43 18.16 -6.56 O 19.04 -6.03 C:69 15.23 -4.37 C:82 17.58 -5.25 C:56 16.16 -5.41 C:39 9.65 -11.84 C:56 10.88 -11.12 C:40 14.62 -7.53 C:50 12.13 -8.96 C:59 17.12 -7.53 C:43 15.87 -6.80 C:37 10.88 -9.67 C:45 14.62 -8.96 C:42 13.38 -9.67 O 19.50 -8.51 O 7.19 -11.83 O 18.33 -9.66 O 14.28 -3.34 28 1 -2 29 2 -1 30 3 -2 32 4 -2 5 24 1 6 24 1 27 7 -2 27 8 -1 33 9 -1 34 10 -2 35 11 -1 12 13 1 12 18 1 13 27 1 14 15 1 14 29 1 15 30 1 16 19 1 16 28 1 17 20 1 17 31 1 18 33 1 19 35 1 20 34 1 21 23 1 31 21 -1 22 25 1 22 31 1 25 23 -1 26 24 -2 25 26 1 26 32 1 27 28 1 28 33 1 29 32 1 29 34 1 30 33 1 30 35 1 31 32 1 34 35 1 21 36 2 13 37 -1 17 38 -1 24 39 1', 'C30H48O5', 488.35, 'P', 'M-317', 1195, '', '', '3', 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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(3718, '', '', 'Terpenoids', 'Triterpenoids', 'Fernanes', '[H][C@@:5]45[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]3([CH3:27])[C@:14]1([CH3:26])[CH2:15][CH2:16][C@:17]2([CH3:28])[C@@H:21]([CH:22]([CH3:30])[CH3:29])[CH2:20][CH2:19][C@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45CCC1=C(CC[C@]3(C)[C@]1(C)CC[C@]2(C)[C@@H](C(C)C)CC[C@]23[H])[C@@]4(C)CCC[C@]5(C)C', '[H][C@@:51]45[CH2:19][CH2:27][C:135]1=[C:134]([CH2:20][CH2:27][C@:37]3([CH3:16])[C@:41]1([CH3:22])[CH2:30][CH2:36][C@:43]2([CH3:15])[C@@H:60]([CH:31]([CH3:23])[CH3:22])[CH2:28][CH2:19][C@:53]23[H])[C@@:38]4([CH3:20])[CH2:37][CH2:19][CH2:42][C@:33]5([CH3:33])[CH3:22]', '32 36 H 11.99 -14.09 H 17.01 -9.85 C:30 21.60 -7.73 C:29 21.13 -10.12 C:23 11.56 -15.05 C:24 9.86 -15.13 C:25 11.99 -10.23 C:26 15.73 -12.42 C:28 18.26 -8.09 C:27 15.73 -8.09 C:2 9.48 -11.68 C:7 14.49 -13.15 C:11 13.24 -9.50 C:20 18.72 -7.20 C:3 9.48 -13.15 C:1 10.72 -10.95 C:6 13.24 -13.87 C:12 14.49 -8.75 C:19 17.30 -7.38 C:15 17.01 -11.68 C:16 18.26 -10.95 C:9 13.24 -10.95 C:8 14.49 -11.68 C:22 20.69 -8.78 C:21 19.29 -8.52 C:4 10.72 -13.87 C:10 11.99 -11.68 C:14 15.73 -10.95 C:5 11.99 -13.15 C:18 17.01 -8.75 C:17 18.26 -9.50 C:13 15.73 -9.50 29 1 -2 30 2 -1 3 24 1 4 24 1 26 5 -2 26 6 -1 27 7 -1 28 8 -1 31 9 -2 32 10 -2 11 15 1 11 16 1 12 17 1 12 23 1 13 18 1 13 22 1 14 19 1 14 25 1 15 26 1 16 27 1 17 29 1 18 32 1 19 30 1 20 21 1 20 28 1 21 31 1 22 23 2 22 27 1 23 28 1 25 24 -2 25 31 1 26 29 1 27 29 1 28 32 1 30 31 1 30 32 1', '32 36 H 11.99 -14.09 H 17.01 -9.85 C 21.60 -7.73 C 21.13 -10.12 C 11.56 -15.05 C 9.86 -15.13 C 11.99 -10.23 C 15.73 -12.42 C 18.26 -8.09 C 15.73 -8.09 C 9.48 -11.68 C 14.49 -13.15 C 13.24 -9.50 C 18.72 -7.20 C 9.48 -13.15 C 10.72 -10.95 C 13.24 -13.87 C 14.49 -8.75 C 17.30 -7.38 C 17.01 -11.68 C 18.26 -10.95 C 13.24 -10.95 C 14.49 -11.68 C 20.69 -8.78 C 19.29 -8.52 C 10.72 -13.87 C 11.99 -11.68 C 15.73 -10.95 C 11.99 -13.15 C 17.01 -8.75 C 18.26 -9.50 C 15.73 -9.50 29 1 -2 30 2 -1 3 24 1 4 24 1 26 5 -2 26 6 -1 27 7 -1 28 8 -1 31 9 -2 32 10 -2 11 15 1 11 16 1 12 17 1 12 23 1 13 18 1 13 22 1 14 19 1 14 25 1 15 26 1 16 27 1 17 29 1 18 32 1 19 30 1 20 21 1 20 28 1 21 31 1 22 23 2 22 27 1 23 28 1 25 24 -2 25 31 1 26 29 1 27 29 1 28 32 1 30 31 1 30 32 1', '32 36 H 11.99 -14.09 H 17.01 -9.85 C:23 21.60 -7.73 C:22 21.13 -10.12 C:33 11.56 -15.05 C:22 9.86 -15.13 C:20 11.99 -10.23 C:22 15.73 -12.42 C:15 18.26 -8.09 C:16 15.73 -8.09 C:19 9.48 -11.68 C:27 14.49 -13.15 C:20 13.24 -9.50 C:28 18.72 -7.20 C:42 9.48 -13.15 C:37 10.72 -10.95 C:19 13.24 -13.87 C:27 14.49 -8.75 C:19 17.30 -7.38 C:30 17.01 -11.68 C:36 18.26 -10.95 C:134 13.24 -10.95 C:135 14.49 -11.68 C:31 20.69 -8.78 C:60 19.29 -8.52 C:33 10.72 -13.87 C:38 11.99 -11.68 C:41 15.73 -10.95 C:51 11.99 -13.15 C:53 17.01 -8.75 C:43 18.26 -9.50 C:37 15.73 -9.50 29 1 -2 30 2 -1 3 24 1 4 24 1 26 5 -2 26 6 -1 27 7 -1 28 8 -1 31 9 -2 32 10 -2 11 15 1 11 16 1 12 17 1 12 23 1 13 18 1 13 22 1 14 19 1 14 25 1 15 26 1 16 27 1 17 29 1 18 32 1 19 30 1 20 21 1 20 28 1 21 31 1 22 23 2 22 27 1 23 28 1 25 24 -2 25 31 1 26 29 1 27 29 1 28 32 1 30 31 1 30 32 1', 'C30H50', 410.337, 'C', 'M-367', 1477, '', '', '3', 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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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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(3746, '', '3-Oxo-olean-1,18-diene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]35[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH:1]=[CH:2][C:3](=O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]4([CH3:28])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]45', '[H][C@]35CC[C@]2([H])[C@@]1(C)C=CC(=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@]4(C)CC[C@](C)(C)C=C45', '[H][C@:39]35[CH2:26][CH2:21][C@:45]2([H])[C@@:42]1([CH3:19])[CH:160]=[CH:125][C:205](=O)[C@:45]([CH3:28])([CH3:21])[C@:54]1([H])[CH2:20][CH2:34][C@@:40]2([CH3:17])[C@:44]3([CH3:15])[CH2:28][CH2:38][C@@:34]4([CH3:25])[CH2:37][CH2:33][C@:32]([CH3:31])([CH3:29])[CH:130]=[C:142]45', '34 38 H 13.65 -11.96 H 14.93 -9.74 C:30 19.03 -3.29 C:29 20.66 -3.30 C:24 11.65 -12.79 C:23 13.14 -12.84 C:28 19.83 -5.88 C:27 17.40 -10.18 C:26 16.15 -8.02 C:25 13.65 -8.02 C:12 16.14 -6.62 C:11 14.90 -7.31 C:21 21.07 -5.19 C:22 21.07 -6.62 C:16 19.83 -8.72 C:6 14.90 -11.59 C:15 18.60 -9.45 C:7 16.14 -10.89 C:2 11.22 -9.45 C:19 18.60 -5.19 C:13 17.38 -7.31 C:3 11.22 -10.89 C:1 12.42 -8.72 C:20 19.83 -4.46 C:4 12.42 -11.59 C:18 18.60 -6.62 C:17 19.83 -7.31 C:5 13.65 -10.89 C:9 14.90 -8.72 C:14 17.38 -8.72 C:8 16.14 -9.45 C:10 13.65 -9.45 H 17.38 -6.09 O 10.03 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 2 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2', '34 38 H 13.65 -11.96 H 14.93 -9.74 C 19.03 -3.29 C 20.66 -3.30 C 11.65 -12.79 C 13.14 -12.84 C 19.83 -5.88 C 17.40 -10.18 C 16.15 -8.02 C 13.65 -8.02 C 16.14 -6.62 C 14.90 -7.31 C 21.07 -5.19 C 21.07 -6.62 C 19.83 -8.72 C 14.90 -11.59 C 18.60 -9.45 C 16.14 -10.89 C 11.22 -9.45 C 18.60 -5.19 C 17.38 -7.31 C 11.22 -10.89 C 12.42 -8.72 C 19.83 -4.46 C 12.42 -11.59 C 18.60 -6.62 C 19.83 -7.31 C 13.65 -10.89 C 14.90 -8.72 C 17.38 -8.72 C 16.14 -9.45 C 13.65 -9.45 H 17.38 -6.09 O 10.03 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 2 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2', '34 38 H 13.65 -11.96 H 14.93 -9.74 C:29 19.03 -3.29 C:31 20.66 -3.30 C:21 11.65 -12.79 C:28 13.14 -12.84 C:25 19.83 -5.88 C:15 17.40 -10.18 C:17 16.15 -8.02 C:19 13.65 -8.02 C:26 16.14 -6.62 C:21 14.90 -7.31 C:33 21.07 -5.19 C:37 21.07 -6.62 C:38 19.83 -8.72 C:20 14.90 -11.59 C:28 18.60 -9.45 C:34 16.14 -10.89 C:125 11.22 -9.45 C:130 18.60 -5.19 C:39 17.38 -7.31 C:205 11.22 -10.89 C:160 12.42 -8.72 C:32 19.83 -4.46 C:45 12.42 -11.59 C:142 18.60 -6.62 C:34 19.83 -7.31 C:54 13.65 -10.89 C:45 14.90 -8.72 C:44 17.38 -8.72 C:40 16.14 -9.45 C:42 13.65 -9.45 H 17.38 -6.09 O 10.03 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 2 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2', 'C30H46O', 422.344, 'C', 'A-12', 740, '', '', '3', 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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(3748, '', '1a,2a-Epoxy-3-oxo-olean-18-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]46[CH2:12][CH2:11][C@@:9]3([H])[C@@:8]([CH3:26])([CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:23])([CH3:24])[C:3](=O)[C@@H:2]1O[C@@H:1]1[C@@:10]23[CH3:25])[C@:14]4([CH3:27])[CH2:15][CH2:16][C@@:17]5([CH3:28])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]56', '[H][C@]46CC[C@@]3([H])[C@@](C)(CC[C@@]2([H])[C@@](C)(C)C(=O)[C@@H]1O[C@@H]1[C@@]23C)[C@]4(C)CC[C@@]5(C)CC[C@](C)(C)C=C56', '[H][C@:39]46[CH2:27][CH2:22][C@@:44]3([H])[C@@:41]([CH3:17])([CH2:34][CH2:19][C@@:46]2([H])[C@@:45]([CH3:28])([CH3:21])[C:213](=O)[C@@H:64]1O[C@@H:57]1[C@@:39]23[CH3:16])[C@:43]4([CH3:14])[CH2:28][CH2:38][C@@:34]5([CH3:25])[CH2:37][CH2:34][C@:32]([CH3:31])([CH3:29])[CH:130]=[C:142]56', '35 40 H 13.65 -11.96 H 14.94 -9.74 C:30 19.05 -3.29 C:29 20.67 -3.30 C:24 11.65 -12.79 C:23 13.14 -12.84 C:28 19.84 -5.88 C:27 17.41 -10.18 C:26 16.16 -8.02 C:25 13.65 -8.02 C:12 16.15 -6.63 C:11 14.91 -7.31 C:21 21.08 -5.19 C:22 21.08 -6.63 C:16 19.84 -8.72 C:6 14.91 -11.59 C:15 18.62 -9.45 C:7 16.15 -10.90 C:2 11.22 -9.45 C:19 18.62 -5.19 C:13 17.39 -7.31 C:3 11.22 -10.90 C:1 12.42 -8.72 C:20 19.84 -4.46 C:4 12.42 -11.59 C:18 18.62 -6.63 C:17 19.84 -7.31 C:5 13.65 -10.90 C:9 14.91 -8.72 C:14 17.39 -8.72 C:8 16.15 -9.45 C:10 13.65 -9.45 H 17.39 -6.09 O 11.19 -8.05 O 10.04 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 19 34 -2 23 34 -2 22 35 2', '35 40 H 13.65 -11.96 H 14.94 -9.74 C 19.05 -3.29 C 20.67 -3.30 C 11.65 -12.79 C 13.14 -12.84 C 19.84 -5.88 C 17.41 -10.18 C 16.16 -8.02 C 13.65 -8.02 C 16.15 -6.63 C 14.91 -7.31 C 21.08 -5.19 C 21.08 -6.63 C 19.84 -8.72 C 14.91 -11.59 C 18.62 -9.45 C 16.15 -10.90 C 11.22 -9.45 C 18.62 -5.19 C 17.39 -7.31 C 11.22 -10.90 C 12.42 -8.72 C 19.84 -4.46 C 12.42 -11.59 C 18.62 -6.63 C 19.84 -7.31 C 13.65 -10.90 C 14.91 -8.72 C 17.39 -8.72 C 16.15 -9.45 C 13.65 -9.45 H 17.39 -6.09 O 11.19 -8.05 O 10.04 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 19 34 -2 23 34 -2 22 35 2', '35 40 H 13.65 -11.96 H 14.94 -9.74 C:29 19.05 -3.29 C:31 20.67 -3.30 C:21 11.65 -12.79 C:28 13.14 -12.84 C:25 19.84 -5.88 C:14 17.41 -10.18 C:17 16.16 -8.02 C:16 13.65 -8.02 C:27 16.15 -6.63 C:22 14.91 -7.31 C:34 21.08 -5.19 C:37 21.08 -6.63 C:38 19.84 -8.72 C:19 14.91 -11.59 C:28 18.62 -9.45 C:34 16.15 -10.90 C:64 11.22 -9.45 C:130 18.62 -5.19 C:39 17.39 -7.31 C:213 11.22 -10.90 C:57 12.42 -8.72 C:32 19.84 -4.46 C:45 12.42 -11.59 C:142 18.62 -6.63 C:34 19.84 -7.31 C:46 13.65 -10.90 C:44 14.91 -8.72 C:43 17.39 -8.72 C:41 16.15 -9.45 C:39 13.65 -9.45 H 17.39 -6.09 O 11.19 -8.05 O 10.04 -11.64 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 19 34 -2 23 34 -2 22 35 2', 'C30H46O2', 438.344, 'C', 'A-15', 1042, '', '', '3', 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
(3760, '', '3,16-Dioxo-olean-18-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][C:16](=O)[C@@:17]5([CH3:28])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]45', '[H][C@]34CC[C@]2([H])[C@@]1(C)CCC(=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC(=O)[C@@]5(C)CC[C@](C)(C)C=C45', '[H][C@:39]34[CH2:26][CH2:21][C@:50]2([H])[C@@:37]1([CH3:16])[CH2:40][CH2:34][C:218](=O)[C@:47]([CH3:26])([CH3:21])[C@:55]1([H])[CH2:20][CH2:34][C@@:40]2([CH3:17])[C@:50]3([CH3:15])[CH2:45][C:216](=O)[C@@:45]5([CH3:27])[CH2:28][CH2:33][C@:32]([CH3:31])([CH3:29])[CH:133]=[C:140]45', '35 39 H 13.64 -11.96 H 14.93 -9.75 C:30 19.03 -3.29 C:29 20.66 -3.30 C:24 11.65 -12.78 C:23 13.13 -12.83 C:28 19.83 -5.88 C:27 17.40 -10.19 C:26 16.15 -8.02 C:25 13.64 -8.02 C:12 16.14 -6.62 C:11 14.90 -7.31 C:21 21.07 -5.19 C:22 21.07 -6.62 C:16 19.83 -8.72 C:6 14.90 -11.59 C:15 18.60 -9.45 C:7 16.14 -10.90 C:2 11.23 -9.45 C:19 18.60 -5.19 C:13 17.38 -7.31 C:3 11.23 -10.90 C:1 12.42 -8.72 C:20 19.83 -4.46 C:4 12.42 -11.59 C:18 18.60 -6.62 C:17 19.83 -7.31 C:5 13.64 -10.90 C:9 14.90 -8.72 C:14 17.38 -8.72 C:8 16.14 -9.45 C:10 13.64 -9.45 H 17.38 -6.09 O 10.04 -11.64 O 21.06 -9.40 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2 15 35 2', '35 39 H 13.64 -11.96 H 14.93 -9.75 C 19.03 -3.29 C 20.66 -3.30 C 11.65 -12.78 C 13.13 -12.83 C 19.83 -5.88 C 17.40 -10.19 C 16.15 -8.02 C 13.64 -8.02 C 16.14 -6.62 C 14.90 -7.31 C 21.07 -5.19 C 21.07 -6.62 C 19.83 -8.72 C 14.90 -11.59 C 18.60 -9.45 C 16.14 -10.90 C 11.23 -9.45 C 18.60 -5.19 C 17.38 -7.31 C 11.23 -10.90 C 12.42 -8.72 C 19.83 -4.46 C 12.42 -11.59 C 18.60 -6.62 C 19.83 -7.31 C 13.64 -10.90 C 14.90 -8.72 C 17.38 -8.72 C 16.14 -9.45 C 13.64 -9.45 H 17.38 -6.09 O 10.04 -11.64 O 21.06 -9.40 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2 15 35 2', '35 39 H 13.64 -11.96 H 14.93 -9.75 C:29 19.03 -3.29 C:31 20.66 -3.30 C:21 11.65 -12.78 C:26 13.13 -12.83 C:27 19.83 -5.88 C:15 17.40 -10.19 C:17 16.15 -8.02 C:16 13.64 -8.02 C:26 16.14 -6.62 C:21 14.90 -7.31 C:33 21.07 -5.19 C:28 21.07 -6.62 C:216 19.83 -8.72 C:20 14.90 -11.59 C:45 18.60 -9.45 C:34 16.14 -10.90 C:34 11.23 -9.45 C:133 18.60 -5.19 C:39 17.38 -7.31 C:218 11.23 -10.90 C:40 12.42 -8.72 C:32 19.83 -4.46 C:47 12.42 -11.59 C:140 18.60 -6.62 C:45 19.83 -7.31 C:55 13.64 -10.90 C:50 14.90 -8.72 C:50 17.38 -8.72 C:40 16.14 -9.45 C:37 13.64 -9.45 H 17.38 -6.09 O 10.04 -11.64 O 21.06 -9.40 28 1 -2 29 2 -2 24 3 -1 24 4 -2 25 5 -1 25 6 -2 27 7 -1 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 1 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 2 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 21 33 -1 22 34 2 15 35 2', 'C30H46O2', 438.344, 'C', 'A-31', 1042, '', '', '3', 1, NULL, NULL),
(3761, '', '3b,16b -Diacetoxyolean-18-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][C@H:16](O[C:16001]([CH3:16002])=O)[C@@:17]5([CH3:28])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]45', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](OC(C)=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)C[C@H](OC(C)=O)[C@@]5(C)CC[C@](C)(C)C=C45', '[H][C@:38]34[CH2:27][CH2:21][C@:51]2([H])[C@@:38]1([CH3:17])[CH2:39][CH2:24][C@H:81](O[C:9999]([CH3:9999])=O)[C@:39]([CH3:28])([CH3:16])[C@:56]1([H])[CH2:18][CH2:35][C@@:41]2([CH3:17])[C@:43]3([CH3:15])[CH2:34][C@H:79](O[C:9999]([CH3:9999])=O)[C@@:39]5([CH3:28])[CH2:38][CH2:34][C@:30]([CH3:32])([CH3:30])[CH:130]=[C:141]45', '41 45 H 18.00 -9.15 H 14.26 -15.03 H 15.56 -12.81 C:3002 8.21 -14.79 C:16002 22.93 -14.53 C:29 21.28 -6.39 C:30 19.66 -6.38 C:23 13.74 -15.91 C:24 12.25 -15.86 C:28 20.46 -8.94 C:27 18.02 -13.25 C:25 14.26 -11.09 C:26 16.77 -11.09 O 9.40 -12.66 O 20.49 -14.57 C:19 19.23 -8.25 C:2 11.82 -12.52 C:21 21.69 -8.25 C:1 13.02 -11.79 C:12 16.76 -9.69 C:22 21.69 -9.69 C:11 15.53 -10.38 C:6 15.53 -14.66 C:7 16.76 -13.97 C:15 19.23 -12.52 O 10.64 -14.71 O 21.70 -12.47 C:3001 9.40 -14.06 C:16001 21.70 -13.86 C:18 19.23 -9.69 C:3 11.82 -13.97 C:16 20.46 -11.79 C:20 20.46 -7.52 C:4 13.02 -14.66 C:13 18.00 -10.38 C:17 20.46 -10.38 C:5 14.26 -13.97 C:9 15.53 -11.79 C:14 18.00 -11.79 C:10 14.26 -12.52 C:8 16.76 -12.52 35 1 -1 37 2 -2 38 3 -2 4 28 1 5 29 1 33 6 -2 33 7 -1 34 8 -2 34 9 -1 36 10 -1 39 11 -2 40 12 -1 41 13 -1 14 28 2 15 29 2 16 30 2 16 33 1 17 19 1 17 31 1 18 21 1 18 33 1 19 40 1 20 22 1 20 35 1 21 36 1 22 38 1 23 24 1 23 37 1 24 41 1 25 32 1 25 39 1 26 28 1 31 26 -1 27 29 1 32 27 -1 30 35 1 30 36 1 31 34 1 32 36 1 34 37 1 35 39 1 37 40 1 38 40 1 38 41 1 39 41 1', '41 45 H 18.00 -9.15 H 14.26 -15.03 H 15.56 -12.81 C 8.21 -14.79 C 22.93 -14.53 C 21.28 -6.39 C 19.66 -6.38 C 13.74 -15.91 C 12.25 -15.86 C 20.46 -8.94 C 18.02 -13.25 C 14.26 -11.09 C 16.77 -11.09 O 9.40 -12.66 O 20.49 -14.57 C 19.23 -8.25 C 11.82 -12.52 C 21.69 -8.25 C 13.02 -11.79 C 16.76 -9.69 C 21.69 -9.69 C 15.53 -10.38 C 15.53 -14.66 C 16.76 -13.97 C 19.23 -12.52 O 10.64 -14.71 O 21.70 -12.47 C 9.40 -14.06 C 21.70 -13.86 C 19.23 -9.69 C 11.82 -13.97 C 20.46 -11.79 C 20.46 -7.52 C 13.02 -14.66 C 18.00 -10.38 C 20.46 -10.38 C 14.26 -13.97 C 15.53 -11.79 C 18.00 -11.79 C 14.26 -12.52 C 16.76 -12.52 35 1 -1 37 2 -2 38 3 -2 4 28 1 5 29 1 33 6 -2 33 7 -1 34 8 -2 34 9 -1 36 10 -1 39 11 -2 40 12 -1 41 13 -1 14 28 2 15 29 2 16 30 2 16 33 1 17 19 1 17 31 1 18 21 1 18 33 1 19 40 1 20 22 1 20 35 1 21 36 1 22 38 1 23 24 1 23 37 1 24 41 1 25 32 1 25 39 1 26 28 1 31 26 -1 27 29 1 32 27 -1 30 35 1 30 36 1 31 34 1 32 36 1 34 37 1 35 39 1 37 40 1 38 40 1 38 41 1 39 41 1', '41 45 H 18.00 -9.15 H 14.26 -15.03 H 15.56 -12.81 C 8.21 -14.79 C 22.93 -14.53 C:32 21.28 -6.39 C:30 19.66 -6.38 C:28 13.74 -15.91 C:16 12.25 -15.86 C:28 20.46 -8.94 C:15 18.02 -13.25 C:17 14.26 -11.09 C:17 16.77 -11.09 O 9.40 -12.66 O 20.49 -14.57 C:130 19.23 -8.25 C:24 11.82 -12.52 C:34 21.69 -8.25 C:39 13.02 -11.79 C:27 16.76 -9.69 C:38 21.69 -9.69 C:21 15.53 -10.38 C:18 15.53 -14.66 C:35 16.76 -13.97 C:34 19.23 -12.52 O 10.64 -14.71 O 21.70 -12.47 C 9.40 -14.06 C 21.70 -13.86 C:141 19.23 -9.69 C:81 11.82 -13.97 C:79 20.46 -11.79 C:30 20.46 -7.52 C:39 13.02 -14.66 C:38 18.00 -10.38 C:39 20.46 -10.38 C:56 14.26 -13.97 C:51 15.53 -11.79 C:43 18.00 -11.79 C:38 14.26 -12.52 C:41 16.76 -12.52 35 1 -1 37 2 -2 38 3 -2 4 28 1 5 29 1 33 6 -2 33 7 -1 34 8 -2 34 9 -1 36 10 -1 39 11 -2 40 12 -1 41 13 -1 14 28 2 15 29 2 16 30 2 16 33 1 17 19 1 17 31 1 18 21 1 18 33 1 19 40 1 20 22 1 20 35 1 21 36 1 22 38 1 23 24 1 23 37 1 24 41 1 25 32 1 25 39 1 26 28 1 31 26 -1 27 29 1 32 27 -1 30 35 1 30 36 1 31 34 1 32 36 1 34 37 1 35 39 1 37 40 1 38 40 1 38 41 1 39 41 1', 'C34H54O4', 526.385, 'C', 'A-33', 745, '', '', '3', 1, NULL, NULL),
(3762, '', '16b-Acetoxyolean-18-en-3-one', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][C@H:16](O[C:16001]([CH3:16002])=O)[C@@:17]5([CH3:28])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]45', '[H][C@]34CC[C@]2([H])[C@@]1(C)CCC(=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)C[C@H](OC(C)=O)[C@@]5(C)CC[C@](C)(C)C=C45', '[H][C@:28]34[CH2:27][CH2:22][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:40][CH2:34][C:218](=O)[C@:47]([CH3:27])([CH3:21])[C@:55]1([H])[CH2:20][CH2:34][C@@:41]2([CH3:17])[C@:43]3([CH3:15])[CH2:34][C@H:79](O[C:9999]([CH3:9999])=O)[C@@:39]5([CH3:30])[CH2:38][CH2:34][C@:30]([CH3:32])([CH3:30])[CH:130]=[C:141]45', '38 42 H 16.81 -9.16 H 13.07 -15.03 H 14.37 -12.82 C:16002 21.74 -14.55 C:29 20.10 -6.39 C:30 18.47 -6.38 C:23 12.56 -15.91 C:24 11.07 -15.86 C:28 19.27 -8.95 C:25 13.07 -11.10 C:27 16.83 -13.26 C:26 15.58 -11.10 O 19.32 -14.59 O 9.45 -14.71 C:19 18.04 -8.26 C:2 10.64 -12.53 C:21 20.51 -8.26 C:1 11.84 -11.80 C:12 15.57 -9.70 C:22 20.51 -9.70 C:11 14.34 -10.39 C:6 14.34 -14.66 C:7 15.57 -13.97 C:15 18.04 -12.53 O 20.52 -12.48 C:16001 20.52 -13.87 C:3 10.64 -13.97 C:18 18.04 -9.70 C:16 19.27 -11.80 C:20 19.27 -7.53 C:4 11.84 -14.66 C:13 16.81 -10.39 C:17 19.27 -10.39 C:5 13.07 -13.97 C:9 14.34 -11.80 C:10 13.07 -12.53 C:14 16.81 -11.80 C:8 15.57 -12.53 32 1 -1 34 2 -2 35 3 -2 4 26 1 30 5 -2 30 6 -1 31 7 -2 31 8 -1 33 9 -1 36 10 -1 37 11 -2 38 12 -1 13 26 2 14 27 2 15 28 2 15 30 1 16 18 1 16 27 1 17 20 1 17 30 1 18 36 1 19 21 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 38 1 24 29 1 24 37 1 25 26 1 29 25 -1 27 31 1 28 32 1 28 33 1 29 33 1 31 34 1 32 37 1 34 36 1 35 36 1 35 38 1 37 38 1', '38 42 H 16.81 -9.16 H 13.07 -15.03 H 14.37 -12.82 C 21.74 -14.55 C 20.10 -6.39 C 18.47 -6.38 C 12.56 -15.91 C 11.07 -15.86 C 19.27 -8.95 C 13.07 -11.10 C 16.83 -13.26 C 15.58 -11.10 O 19.32 -14.59 O 9.45 -14.71 C 18.04 -8.26 C 10.64 -12.53 C 20.51 -8.26 C 11.84 -11.80 C 15.57 -9.70 C 20.51 -9.70 C 14.34 -10.39 C 14.34 -14.66 C 15.57 -13.97 C 18.04 -12.53 O 20.52 -12.48 C 20.52 -13.87 C 10.64 -13.97 C 18.04 -9.70 C 19.27 -11.80 C 19.27 -7.53 C 11.84 -14.66 C 16.81 -10.39 C 19.27 -10.39 C 13.07 -13.97 C 14.34 -11.80 C 13.07 -12.53 C 16.81 -11.80 C 15.57 -12.53 32 1 -1 34 2 -2 35 3 -2 4 26 1 30 5 -2 30 6 -1 31 7 -2 31 8 -1 33 9 -1 36 10 -1 37 11 -2 38 12 -1 13 26 2 14 27 2 15 28 2 15 30 1 16 18 1 16 27 1 17 20 1 17 30 1 18 36 1 19 21 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 38 1 24 29 1 24 37 1 25 26 1 29 25 -1 27 31 1 28 32 1 28 33 1 29 33 1 31 34 1 32 37 1 34 36 1 35 36 1 35 38 1 37 38 1', '38 42 H 16.81 -9.16 H 13.07 -15.03 H 14.37 -12.82 C 21.74 -14.55 C:32 20.10 -6.39 C:30 18.47 -6.38 C:27 12.56 -15.91 C:21 11.07 -15.86 C:30 19.27 -8.95 C:16 13.07 -11.10 C:15 16.83 -13.26 C:17 15.58 -11.10 O 19.32 -14.59 O 9.45 -14.71 C:130 18.04 -8.26 C:34 10.64 -12.53 C:34 20.51 -8.26 C:40 11.84 -11.80 C:27 15.57 -9.70 C:38 20.51 -9.70 C:22 14.34 -10.39 C:20 14.34 -14.66 C:34 15.57 -13.97 C:34 18.04 -12.53 O 20.52 -12.48 C 20.52 -13.87 C:218 10.64 -13.97 C:141 18.04 -9.70 C:79 19.27 -11.80 C:30 19.27 -7.53 C:47 11.84 -14.66 C:28 16.81 -10.39 C:39 19.27 -10.39 C:55 13.07 -13.97 C:51 14.34 -11.80 C:37 13.07 -12.53 C:43 16.81 -11.80 C:41 15.57 -12.53 32 1 -1 34 2 -2 35 3 -2 4 26 1 30 5 -2 30 6 -1 31 7 -2 31 8 -1 33 9 -1 36 10 -1 37 11 -2 38 12 -1 13 26 2 14 27 2 15 28 2 15 30 1 16 18 1 16 27 1 17 20 1 17 30 1 18 36 1 19 21 1 19 32 1 20 33 1 21 35 1 22 23 1 22 34 1 23 38 1 24 29 1 24 37 1 25 26 1 29 25 -1 27 31 1 28 32 1 28 33 1 29 33 1 31 34 1 32 37 1 34 36 1 35 36 1 35 38 1 37 38 1', 'C32H50O3', 482.364, 'C', 'A-34', 745, '', '', '3', 1, NULL, NULL),
(3763, 'Sophoradiol', '3b,22b-Dihydroxyolean-12-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][C@@H:22](O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(C)C[C@@H](O)[C@]1(C)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:45]12[CH2:47][C@@:31]([CH3:33])([CH3:21])[CH2:42][C@@H:76](O)[C@:38]1([CH3:29])[CH2:29][CH2:27][C@:43]5([CH3:26])[C:145]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:17])[CH2:39][CH2:28][C@H:78](O)[C@:39]([CH3:29])([CH3:16])[C@:56]3([H])[CH2:19][CH2:33][C@:40]45[CH3:17]', '35 39 H 18.04 -7.89 H 13.08 -11.95 H 14.37 -9.73 C:30 18.47 -3.29 C:29 20.10 -3.30 C:24 11.08 -12.78 C:23 12.57 -12.83 C:28 19.27 -5.87 C:27 16.84 -10.17 C:26 15.59 -8.02 C:25 13.08 -8.02 C:12 15.58 -6.62 C:11 14.34 -7.31 C:21 20.50 -5.18 C:22 20.50 -6.62 C:16 19.27 -8.71 C:6 14.34 -11.59 C:15 18.04 -9.44 C:7 15.58 -10.89 C:2 10.65 -9.44 C:19 18.04 -5.18 C:13 16.82 -7.31 C:3 10.65 -10.89 C:1 11.85 -8.71 C:20 19.27 -4.46 C:4 11.85 -11.59 C:18 18.04 -6.62 C:17 19.27 -7.31 C:5 13.08 -10.89 C:9 14.34 -8.71 C:14 16.82 -8.71 C:8 15.58 -9.44 C:10 13.08 -9.44 O 9.47 -11.63 O 21.69 -7.35 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1', '35 39 H 18.04 -7.89 H 13.08 -11.95 H 14.37 -9.73 C 18.47 -3.29 C 20.10 -3.30 C 11.08 -12.78 C 12.57 -12.83 C 19.27 -5.87 C 16.84 -10.17 C 15.59 -8.02 C 13.08 -8.02 C 15.58 -6.62 C 14.34 -7.31 C 20.50 -5.18 C 20.50 -6.62 C 19.27 -8.71 C 14.34 -11.59 C 18.04 -9.44 C 15.58 -10.89 C 10.65 -9.44 C 18.04 -5.18 C 16.82 -7.31 C 10.65 -10.89 C 11.85 -8.71 C 19.27 -4.46 C 11.85 -11.59 C 18.04 -6.62 C 19.27 -7.31 C 13.08 -10.89 C 14.34 -8.71 C 16.82 -8.71 C 15.58 -9.44 C 13.08 -9.44 O 9.47 -11.63 O 21.69 -7.35 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1', '35 39 H 18.04 -7.89 H 13.08 -11.95 H 14.37 -9.73 C:21 18.47 -3.29 C:33 20.10 -3.30 C:16 11.08 -12.78 C:29 12.57 -12.83 C:29 19.27 -5.87 C:26 16.84 -10.17 C:17 15.59 -8.02 C:17 13.08 -8.02 C:123 15.58 -6.62 C:24 14.34 -7.31 C:42 20.50 -5.18 C:76 20.50 -6.62 C:29 19.27 -8.71 C:19 14.34 -11.59 C:27 18.04 -9.44 C:33 15.58 -10.89 C:28 10.65 -9.44 C:47 18.04 -5.18 C:145 16.82 -7.31 C:78 10.65 -10.89 C:39 11.85 -8.71 C:31 19.27 -4.46 C:39 11.85 -11.59 C:45 18.04 -6.62 C:38 19.27 -7.31 C:56 13.08 -10.89 C:48 14.34 -8.71 C:43 16.82 -8.71 C:40 15.58 -9.44 C:37 13.08 -9.44 O 9.47 -11.63 O 21.69 -7.35 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1', 'C30H50O2', 442.344, 'C', 'A-35', 1137, '', '', '3', 1, NULL, NULL),
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(3772, 'Lantadene A methyl ester', 'Methyl-3-oxo-olean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:24])([CH3:23])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)OC)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CCC(=O)[C@@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:41]12[CH2:46][C@:31]([CH3:24])([CH3:33])[CH2:34][CH2:32][C@:47]1([C:178](=O)O[CH3:9999])[CH2:23][CH2:28][C@:42]5([CH3:26])[C:144]2=[CH:122][CH2:24][C@:47]4([H])[C@@:37]3([CH3:15])[CH2:39][CH2:34][C:217](=O)[C@@:47]([CH3:21])([CH3:26])[C@:55]3([H])[CH2:20][CH2:32][C@:39]45[CH3:17]', '37 41 H 12.42 -11.96 H 13.72 -9.75 H 17.40 -7.91 C:28001 22.27 -7.98 C:29 19.46 -3.31 C:30 17.83 -3.30 C:23 11.92 -12.84 C:24 10.44 -12.79 C:25 12.42 -8.03 C:27 16.18 -10.20 C:26 14.94 -8.03 O 19.87 -9.40 C:2 10.00 -9.46 C:3 10.00 -10.91 C:21 19.87 -5.20 C:1 11.20 -8.73 C:12 14.93 -6.64 C:11 13.69 -7.33 C:6 13.69 -11.60 C:7 14.93 -10.91 C:15 17.40 -9.46 C:22 19.87 -6.64 C:16 18.63 -8.73 C:19 17.40 -5.20 O 21.05 -7.30 C:28 19.86 -8.00 C:20 18.63 -4.46 C:4 11.20 -11.60 C:5 12.42 -10.91 C:13 16.16 -7.33 C:9 13.69 -8.73 C:18 17.40 -6.64 C:10 12.42 -9.46 C:14 16.16 -8.73 C:8 14.93 -9.46 C:17 18.63 -7.33 O 8.82 -11.66 29 1 -2 31 2 -2 32 3 -1 4 25 1 27 5 -2 27 6 -1 28 7 -2 28 8 -1 33 9 -1 34 10 -2 35 11 -1 12 26 2 13 14 1 13 16 1 14 28 1 15 22 1 15 27 1 16 33 1 17 18 1 17 30 2 18 31 1 19 20 1 19 29 1 20 35 1 21 23 1 21 34 1 22 36 1 23 36 1 24 27 1 24 32 1 25 26 1 36 26 -1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 35 1 32 36 1 34 35 1 14 37 2', '37 41 H 12.42 -11.96 H 13.72 -9.75 H 17.40 -7.91 C 22.27 -7.98 C 19.46 -3.31 C 17.83 -3.30 C 11.92 -12.84 C 10.44 -12.79 C 12.42 -8.03 C 16.18 -10.20 C 14.94 -8.03 O 19.87 -9.40 C 10.00 -9.46 C 10.00 -10.91 C 19.87 -5.20 C 11.20 -8.73 C 14.93 -6.64 C 13.69 -7.33 C 13.69 -11.60 C 14.93 -10.91 C 17.40 -9.46 C 19.87 -6.64 C 18.63 -8.73 C 17.40 -5.20 O 21.05 -7.30 C 19.86 -8.00 C 18.63 -4.46 C 11.20 -11.60 C 12.42 -10.91 C 16.16 -7.33 C 13.69 -8.73 C 17.40 -6.64 C 12.42 -9.46 C 16.16 -8.73 C 14.93 -9.46 C 18.63 -7.33 O 8.82 -11.66 29 1 -2 31 2 -2 32 3 -1 4 25 1 27 5 -2 27 6 -1 28 7 -2 28 8 -1 33 9 -1 34 10 -2 35 11 -1 12 26 2 13 14 1 13 16 1 14 28 1 15 22 1 15 27 1 16 33 1 17 18 1 17 30 2 18 31 1 19 20 1 19 29 1 20 35 1 21 23 1 21 34 1 22 36 1 23 36 1 24 27 1 24 32 1 25 26 1 36 26 -1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 35 1 32 36 1 34 35 1 14 37 2', '37 41 H 12.42 -11.96 H 13.72 -9.75 H 17.40 -7.91 C 22.27 -7.98 C:33 19.46 -3.31 C:24 17.83 -3.30 C:26 11.92 -12.84 C:21 10.44 -12.79 C:15 12.42 -8.03 C:26 16.18 -10.20 C:17 14.94 -8.03 O 19.87 -9.40 C:34 10.00 -9.46 C:217 10.00 -10.91 C:34 19.87 -5.20 C:39 11.20 -8.73 C:122 14.93 -6.64 C:24 13.69 -7.33 C:20 13.69 -11.60 C:32 14.93 -10.91 C:28 17.40 -9.46 C:32 19.87 -6.64 C:23 18.63 -8.73 C:46 17.40 -5.20 O 21.05 -7.30 C:178 19.86 -8.00 C:31 18.63 -4.46 C:47 11.20 -11.60 C:55 12.42 -10.91 C:144 16.16 -7.33 C:47 13.69 -8.73 C:41 17.40 -6.64 C:37 12.42 -9.46 C:42 16.16 -8.73 C:39 14.93 -9.46 C:47 18.63 -7.33 O 8.82 -11.66 29 1 -2 31 2 -2 32 3 -1 4 25 1 27 5 -2 27 6 -1 28 7 -2 28 8 -1 33 9 -1 34 10 -2 35 11 -1 12 26 2 13 14 1 13 16 1 14 28 1 15 22 1 15 27 1 16 33 1 17 18 1 17 30 2 18 31 1 19 20 1 19 29 1 20 35 1 21 23 1 21 34 1 22 36 1 23 36 1 24 27 1 24 32 1 25 26 1 36 26 -1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 35 1 32 36 1 34 35 1 14 37 2', 'C31H48O3', 468.354, 'C', 'A-45', 1043, 'Igual a 1558-3', '', '3', 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
(3773, 'Methyl oleanolate', 'Methyl-3b-hydroxyolean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]5([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]45[CH3:25]', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)OC)CC[C@]3(C)C2=CC[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@](C)(C)[C@@H](O)CC[C@@]45C', '[H][C@@:41]12[CH2:46][C@:31]([CH3:24])([CH3:33])[CH2:34][CH2:32][C@:47]1([C:178](=O)O[CH3:9999])[CH2:23][CH2:28][C@:42]3([CH3:26])[C:143]2=[CH:122][CH2:23][C@@:48]5([H])[C@@:39]3([CH3:17])[CH2:33][CH2:18][C@@:55]4([H])[C@:39]([CH3:16])([CH3:28])[C@@H:79](O)[CH2:27][CH2:39][C@@:37]45[CH3:15]', '37 41 H 18.44 -7.90 H 14.77 -9.74 H 13.48 -11.96 C:28001 22.42 -9.76 C:29 20.49 -3.30 C:30 18.87 -3.29 C:23 12.97 -12.84 C:24 11.48 -12.79 C:27 17.23 -10.18 C:25 13.48 -8.03 C:26 15.99 -8.03 O 22.09 -7.02 C:12 15.98 -6.63 C:11 14.74 -7.32 C:2 11.05 -9.45 C:21 20.90 -5.18 C:6 14.74 -11.59 C:1 12.25 -8.72 C:15 18.44 -9.45 C:7 15.98 -10.90 C:22 20.90 -6.63 C:16 19.67 -8.72 C:19 18.44 -5.18 O 21.11 -9.25 C:3 11.05 -10.90 C:28 20.97 -7.86 C:13 17.21 -7.32 C:20 19.67 -4.46 C:4 12.25 -11.59 C:18 18.44 -6.63 C:9 14.74 -8.72 C:5 13.48 -10.90 C:14 17.21 -8.72 C:10 13.48 -9.45 C:8 15.98 -9.45 C:17 19.67 -7.32 O 9.87 -11.65 30 1 -1 31 2 -2 32 3 -2 4 24 1 28 5 -2 28 6 -1 29 7 -2 29 8 -1 33 9 -2 34 10 -1 35 11 -1 12 26 2 13 14 1 13 27 2 14 31 1 15 18 1 15 25 1 16 21 1 16 28 1 17 20 1 17 32 1 18 34 1 19 22 1 19 33 1 20 35 1 21 36 1 22 36 1 23 28 1 23 30 1 24 26 1 25 29 1 36 26 -1 27 30 1 27 33 1 29 32 1 30 36 1 31 34 1 31 35 1 32 34 1 33 35 1 25 37 -1', '37 41 H 18.44 -7.90 H 14.77 -9.74 H 13.48 -11.96 C 22.42 -9.76 C 20.49 -3.30 C 18.87 -3.29 C 12.97 -12.84 C 11.48 -12.79 C 17.23 -10.18 C 13.48 -8.03 C 15.99 -8.03 O 22.09 -7.02 C 15.98 -6.63 C 14.74 -7.32 C 11.05 -9.45 C 20.90 -5.18 C 14.74 -11.59 C 12.25 -8.72 C 18.44 -9.45 C 15.98 -10.90 C 20.90 -6.63 C 19.67 -8.72 C 18.44 -5.18 O 21.11 -9.25 C 11.05 -10.90 C 20.97 -7.86 C 17.21 -7.32 C 19.67 -4.46 C 12.25 -11.59 C 18.44 -6.63 C 14.74 -8.72 C 13.48 -10.90 C 17.21 -8.72 C 13.48 -9.45 C 15.98 -9.45 C 19.67 -7.32 O 9.87 -11.65 30 1 -1 31 2 -2 32 3 -2 4 24 1 28 5 -2 28 6 -1 29 7 -2 29 8 -1 33 9 -2 34 10 -1 35 11 -1 12 26 2 13 14 1 13 27 2 14 31 1 15 18 1 15 25 1 16 21 1 16 28 1 17 20 1 17 32 1 18 34 1 19 22 1 19 33 1 20 35 1 21 36 1 22 36 1 23 28 1 23 30 1 24 26 1 25 29 1 36 26 -1 27 30 1 27 33 1 29 32 1 30 36 1 31 34 1 31 35 1 32 34 1 33 35 1 25 37 -1', '37 41 H 18.44 -7.90 H 14.77 -9.74 H 13.48 -11.96 C 22.42 -9.76 C:33 20.49 -3.30 C:24 18.87 -3.29 C:28 12.97 -12.84 C:16 11.48 -12.79 C:26 17.23 -10.18 C:15 13.48 -8.03 C:17 15.99 -8.03 O 22.09 -7.02 C:122 15.98 -6.63 C:23 14.74 -7.32 C:27 11.05 -9.45 C:34 20.90 -5.18 C:18 14.74 -11.59 C:39 12.25 -8.72 C:28 18.44 -9.45 C:33 15.98 -10.90 C:32 20.90 -6.63 C:23 19.67 -8.72 C:46 18.44 -5.18 O 21.11 -9.25 C:79 11.05 -10.90 C:178 20.97 -7.86 C:143 17.21 -7.32 C:31 19.67 -4.46 C:39 12.25 -11.59 C:41 18.44 -6.63 C:48 14.74 -8.72 C:55 13.48 -10.90 C:42 17.21 -8.72 C:37 13.48 -9.45 C:39 15.98 -9.45 C:47 19.67 -7.32 O 9.87 -11.65 30 1 -1 31 2 -2 32 3 -2 4 24 1 28 5 -2 28 6 -1 29 7 -2 29 8 -1 33 9 -2 34 10 -1 35 11 -1 12 26 2 13 14 1 13 27 2 14 31 1 15 18 1 15 25 1 16 21 1 16 28 1 17 20 1 17 32 1 18 34 1 19 22 1 19 33 1 20 35 1 21 36 1 22 36 1 23 28 1 23 30 1 24 26 1 25 29 1 36 26 -1 27 30 1 27 33 1 29 32 1 30 36 1 31 34 1 31 35 1 32 34 1 33 35 1 25 37 -1', 'C31H50O3', 470.354, 'C', 'A-47', 486, '', '', '3', 1, NULL, NULL),
(3774, 'Oleanolic acid acetate', '3b-Acetoxyolean-12-en-28-oic acid ', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]5([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]45[CH3:25]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)O)CC[C@]3(C)C2=CC[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@@](C)(C)[C@@H](OC(C)=O)CC[C@@]45C', '[H][C@@:41]12[CH2:46][C@@:31]([CH3:33])([CH3:24])[CH2:34][CH2:33][C@:47]1([C:184](=O)O)[CH2:23][CH2:28][C@:42]3([CH3:26])[C:144]2=[CH:123][CH2:23][C@@:48]5([H])[C@@:39]3([CH3:17])[CH2:33][CH2:18][C@@:55]4([H])[C@@:38]([CH3:28])([CH3:17])[C@@H:81](O[C:9999]([CH3:9999])=O)[CH2:24][CH2:38][C@@:37]45[CH3:15]', '39 43 H 19.79 -7.90 H 16.11 -9.74 H 14.82 -11.96 C:30 20.22 -3.29 C:29 21.84 -3.30 C:24 12.83 -12.79 C:23 14.32 -12.84 C:27 18.58 -10.18 C:26 17.34 -8.03 C:25 14.82 -8.03 C:3002 8.80 -11.75 O 23.44 -7.02 O 9.97 -9.60 O 22.46 -9.25 C:12 17.33 -6.63 C:11 16.08 -7.32 C:2 12.40 -9.45 C:21 22.25 -5.19 C:1 13.60 -8.72 C:15 19.79 -9.45 C:6 16.08 -11.59 C:7 17.33 -10.90 C:22 22.25 -6.63 C:16 21.02 -8.72 C:19 19.79 -5.19 O 11.22 -11.65 C:28 22.32 -7.86 C:13 18.56 -7.32 C:3 12.40 -10.90 C:3001 9.98 -11.00 C:20 21.02 -4.47 C:4 13.60 -11.59 C:18 19.79 -6.63 C:14 18.56 -8.72 C:9 16.08 -8.72 C:5 14.82 -10.90 C:8 17.33 -9.45 C:10 14.82 -9.45 C:17 21.02 -7.32 33 1 -1 35 2 -2 36 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 34 8 -2 37 9 -1 38 10 -1 11 30 1 12 27 2 13 30 2 14 27 1 15 16 1 15 28 2 16 35 1 17 19 1 17 29 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 36 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 29 26 -1 26 30 1 39 27 -1 28 33 1 28 34 1 29 32 1 32 36 1 33 39 1 34 37 1 35 37 1 35 38 1 36 38 1', '39 43 H 19.79 -7.90 H 16.11 -9.74 H 14.82 -11.96 C 20.22 -3.29 C 21.84 -3.30 C 12.83 -12.79 C 14.32 -12.84 C 18.58 -10.18 C 17.34 -8.03 C 14.82 -8.03 C 8.80 -11.75 O 23.44 -7.02 O 9.97 -9.60 O 22.46 -9.25 C 17.33 -6.63 C 16.08 -7.32 C 12.40 -9.45 C 22.25 -5.19 C 13.60 -8.72 C 19.79 -9.45 C 16.08 -11.59 C 17.33 -10.90 C 22.25 -6.63 C 21.02 -8.72 C 19.79 -5.19 O 11.22 -11.65 C 22.32 -7.86 C 18.56 -7.32 C 12.40 -10.90 C 9.98 -11.00 C 21.02 -4.47 C 13.60 -11.59 C 19.79 -6.63 C 18.56 -8.72 C 16.08 -8.72 C 14.82 -10.90 C 17.33 -9.45 C 14.82 -9.45 C 21.02 -7.32 33 1 -1 35 2 -2 36 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 34 8 -2 37 9 -1 38 10 -1 11 30 1 12 27 2 13 30 2 14 27 1 15 16 1 15 28 2 16 35 1 17 19 1 17 29 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 36 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 29 26 -1 26 30 1 39 27 -1 28 33 1 28 34 1 29 32 1 32 36 1 33 39 1 34 37 1 35 37 1 35 38 1 36 38 1', '39 43 H 19.79 -7.90 H 16.11 -9.74 H 14.82 -11.96 C:24 20.22 -3.29 C:33 21.84 -3.30 C:17 12.83 -12.79 C:28 14.32 -12.84 C:26 18.58 -10.18 C:17 17.34 -8.03 C:15 14.82 -8.03 C 8.80 -11.75 O 23.44 -7.02 O 9.97 -9.60 O 22.46 -9.25 C:123 17.33 -6.63 C:23 16.08 -7.32 C:24 12.40 -9.45 C:34 22.25 -5.19 C:38 13.60 -8.72 C:28 19.79 -9.45 C:18 16.08 -11.59 C:33 17.33 -10.90 C:33 22.25 -6.63 C:23 21.02 -8.72 C:46 19.79 -5.19 O 11.22 -11.65 C:184 22.32 -7.86 C:144 18.56 -7.32 C:81 12.40 -10.90 C 9.98 -11.00 C:31 21.02 -4.47 C:38 13.60 -11.59 C:41 19.79 -6.63 C:42 18.56 -8.72 C:48 16.08 -8.72 C:55 14.82 -10.90 C:39 17.33 -9.45 C:37 14.82 -9.45 C:47 21.02 -7.32 33 1 -1 35 2 -2 36 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 34 8 -2 37 9 -1 38 10 -1 11 30 1 12 27 2 13 30 2 14 27 1 15 16 1 15 28 2 16 35 1 17 19 1 17 29 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 36 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 29 26 -1 26 30 1 39 27 -1 28 33 1 28 34 1 29 32 1 32 36 1 33 39 1 34 37 1 35 37 1 35 38 1 36 38 1', 'C32H50O4', 498.364, 'C', 'A-48', 950, '', '', '3', 1, NULL, NULL),
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(3776, 'Oleanolic acid methyl ester acetate', 'Methyl-3b-acetoxyolean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:24])([CH3:23])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)OC)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:41]12[CH2:46][C@:31]([CH3:24])([CH3:33])[CH2:34][CH2:32][C@:47]1([C:178](=O)O[CH3:9999])[CH2:23][CH2:28][C@:42]5([CH3:26])[C:144]2=[CH:122][CH2:24][C@:48]4([H])[C@@:37]3([CH3:15])[CH2:38][CH2:24][C@H:81](O[C:9999]([CH3:9999])=O)[C@@:38]([CH3:17])([CH3:28])[C@:55]3([H])[CH2:18][CH2:33][C@:39]45[CH3:17]', '40 44 H 19.18 -7.90 H 14.21 -11.96 H 15.50 -9.74 C:3002 8.18 -11.75 C:29 21.23 -3.30 C:30 19.61 -3.29 C:23 13.71 -12.84 C:24 12.22 -12.79 C:27 17.97 -10.18 C:26 16.73 -8.03 C:25 14.21 -8.03 O 21.75 -9.25 O 9.33 -9.60 O 22.83 -7.02 C:12 16.72 -6.63 C:2 11.79 -9.45 C:11 15.47 -7.32 C:21 21.64 -5.19 C:1 12.99 -8.72 C:15 19.18 -9.45 C:6 15.47 -11.59 C:7 16.72 -10.90 C:22 21.64 -6.63 C:16 20.41 -8.72 C:19 19.18 -5.19 O 10.61 -11.65 C:3001 9.36 -11.00 C:28 21.71 -7.86 C:13 17.95 -7.32 C:3 11.79 -10.90 C:20 20.41 -4.47 C:4 12.99 -11.59 C:18 19.18 -6.63 C:14 17.95 -8.72 C:5 14.21 -10.90 C:9 15.47 -8.72 C:8 16.72 -9.45 C:10 14.21 -9.45 C:17 20.41 -7.32 C:28001 22.99 -9.91 33 1 -1 35 2 -2 36 3 -2 4 27 1 31 5 -2 31 6 -1 32 7 -2 32 8 -1 34 9 -2 37 10 -1 38 11 -1 12 28 1 13 27 2 14 28 2 15 17 1 15 29 2 16 19 1 16 30 1 17 36 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 35 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 26 27 1 30 26 -1 39 28 -1 29 33 1 29 34 1 30 32 1 32 35 1 33 39 1 34 37 1 35 38 1 36 37 1 36 38 1 12 40 1', '40 44 H 19.18 -7.90 H 14.21 -11.96 H 15.50 -9.74 C 8.18 -11.75 C 21.23 -3.30 C 19.61 -3.29 C 13.71 -12.84 C 12.22 -12.79 C 17.97 -10.18 C 16.73 -8.03 C 14.21 -8.03 O 21.75 -9.25 O 9.33 -9.60 O 22.83 -7.02 C 16.72 -6.63 C 11.79 -9.45 C 15.47 -7.32 C 21.64 -5.19 C 12.99 -8.72 C 19.18 -9.45 C 15.47 -11.59 C 16.72 -10.90 C 21.64 -6.63 C 20.41 -8.72 C 19.18 -5.19 O 10.61 -11.65 C 9.36 -11.00 C 21.71 -7.86 C 17.95 -7.32 C 11.79 -10.90 C 20.41 -4.47 C 12.99 -11.59 C 19.18 -6.63 C 17.95 -8.72 C 14.21 -10.90 C 15.47 -8.72 C 16.72 -9.45 C 14.21 -9.45 C 20.41 -7.32 C 22.99 -9.91 33 1 -1 35 2 -2 36 3 -2 4 27 1 31 5 -2 31 6 -1 32 7 -2 32 8 -1 34 9 -2 37 10 -1 38 11 -1 12 28 1 13 27 2 14 28 2 15 17 1 15 29 2 16 19 1 16 30 1 17 36 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 35 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 26 27 1 30 26 -1 39 28 -1 29 33 1 29 34 1 30 32 1 32 35 1 33 39 1 34 37 1 35 38 1 36 37 1 36 38 1 12 40 1', '40 44 H 19.18 -7.90 H 14.21 -11.96 H 15.50 -9.74 C 8.18 -11.75 C:33 21.23 -3.30 C:24 19.61 -3.29 C:28 13.71 -12.84 C:17 12.22 -12.79 C:26 17.97 -10.18 C:17 16.73 -8.03 C:15 14.21 -8.03 O 21.75 -9.25 O 9.33 -9.60 O 22.83 -7.02 C:122 16.72 -6.63 C:24 11.79 -9.45 C:24 15.47 -7.32 C:34 21.64 -5.19 C:38 12.99 -8.72 C:28 19.18 -9.45 C:18 15.47 -11.59 C:33 16.72 -10.90 C:32 21.64 -6.63 C:23 20.41 -8.72 C:46 19.18 -5.19 O 10.61 -11.65 C 9.36 -11.00 C:178 21.71 -7.86 C:144 17.95 -7.32 C:81 11.79 -10.90 C:31 20.41 -4.47 C:38 12.99 -11.59 C:41 19.18 -6.63 C:42 17.95 -8.72 C:55 14.21 -10.90 C:48 15.47 -8.72 C:39 16.72 -9.45 C:37 14.21 -9.45 C:47 20.41 -7.32 C 22.99 -9.91 33 1 -1 35 2 -2 36 3 -2 4 27 1 31 5 -2 31 6 -1 32 7 -2 32 8 -1 34 9 -2 37 10 -1 38 11 -1 12 28 1 13 27 2 14 28 2 15 17 1 15 29 2 16 19 1 16 30 1 17 36 1 18 23 1 18 31 1 19 38 1 20 24 1 20 34 1 21 22 1 21 35 1 22 37 1 23 39 1 24 39 1 25 31 1 25 33 1 26 27 1 30 26 -1 39 28 -1 29 33 1 29 34 1 30 32 1 32 35 1 33 39 1 34 37 1 35 38 1 36 37 1 36 38 1 12 40 1', 'C33H52O4', 512.375, 'C', 'A-50', 486, '', '', '3', 1, NULL, NULL),
(3777, 'Methyl morolate', 'Methyl-3b-hydroxyolean-18-en-28-oate ', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]5([C:28](=O)O[CH3:28001])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH:19]=[C:18]45', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@]5(C(=O)OC)CC[C@](C)(C)C=C45', '[H][C@:41]34[CH2:26][CH2:21][C@:51]2([H])[C@@:37]1([CH3:15])[CH2:39][CH2:27][C@H:78](O)[C@:39]([CH3:28])([CH3:17])[C@:55]1([H])[CH2:18][CH2:35][C@@:41]2([CH3:16])[C@:43]3([CH3:15])[CH2:29][CH2:34][C@@:48]5([C:177](=O)O[CH3:9999])[CH2:34][CH2:34][C@:32]([CH3:30])([CH3:29])[CH:132]=[C:137]45', '37 41 H 13.37 -11.97 H 14.67 -9.74 C:30 18.78 -3.29 C:29 20.40 -3.30 C:24 11.38 -12.80 C:23 12.87 -12.85 C:27 17.14 -10.18 C:26 15.89 -8.03 C:25 13.37 -8.03 C:12 15.88 -6.63 C:11 14.64 -7.32 C:21 20.81 -5.19 C:22 20.81 -6.63 C:16 19.57 -8.73 C:6 14.64 -11.60 C:15 18.35 -9.45 C:7 15.88 -10.90 C:2 10.95 -9.45 C:19 18.35 -5.19 C:13 17.12 -7.32 C:3 10.95 -10.90 C:1 12.15 -8.73 C:20 19.57 -4.46 C:4 12.15 -11.60 C:18 18.35 -6.63 C:17 19.57 -7.32 C:5 13.37 -10.90 C:9 14.64 -8.73 C:14 17.12 -8.73 C:8 15.88 -9.45 C:10 13.37 -9.45 H 17.12 -6.09 O 9.76 -11.65 C:28 20.90 -7.79 O 21.15 -9.16 C:28001 22.47 -9.62 O 21.96 -6.87 27 1 -2 28 2 -2 23 3 -1 23 4 -2 24 5 -1 24 6 -2 29 7 -2 30 8 -1 31 9 -1 10 11 1 10 20 1 11 28 1 12 13 1 12 23 1 13 26 1 14 16 1 14 26 1 15 17 1 15 27 1 16 29 1 17 30 1 18 21 1 18 22 1 19 23 1 19 25 2 20 25 1 20 29 1 21 24 1 22 31 1 24 27 1 25 26 1 27 31 1 28 30 1 28 31 1 29 30 1 20 32 -1 21 33 -1 26 34 -1 34 35 1 35 36 1 34 37 2', '37 41 H 13.37 -11.97 H 14.67 -9.74 C 18.78 -3.29 C 20.40 -3.30 C 11.38 -12.80 C 12.87 -12.85 C 17.14 -10.18 C 15.89 -8.03 C 13.37 -8.03 C 15.88 -6.63 C 14.64 -7.32 C 20.81 -5.19 C 20.81 -6.63 C 19.57 -8.73 C 14.64 -11.60 C 18.35 -9.45 C 15.88 -10.90 C 10.95 -9.45 C 18.35 -5.19 C 17.12 -7.32 C 10.95 -10.90 C 12.15 -8.73 C 19.57 -4.46 C 12.15 -11.60 C 18.35 -6.63 C 19.57 -7.32 C 13.37 -10.90 C 14.64 -8.73 C 17.12 -8.73 C 15.88 -9.45 C 13.37 -9.45 H 17.12 -6.09 O 9.76 -11.65 C 20.90 -7.79 O 21.15 -9.16 C 22.47 -9.62 O 21.96 -6.87 27 1 -2 28 2 -2 23 3 -1 23 4 -2 24 5 -1 24 6 -2 29 7 -2 30 8 -1 31 9 -1 10 11 1 10 20 1 11 28 1 12 13 1 12 23 1 13 26 1 14 16 1 14 26 1 15 17 1 15 27 1 16 29 1 17 30 1 18 21 1 18 22 1 19 23 1 19 25 2 20 25 1 20 29 1 21 24 1 22 31 1 24 27 1 25 26 1 27 31 1 28 30 1 28 31 1 29 30 1 20 32 -1 21 33 -1 26 34 -1 34 35 1 35 36 1 34 37 2', '37 41 H 13.37 -11.97 H 14.67 -9.74 C:29 18.78 -3.29 C:30 20.40 -3.30 C:17 11.38 -12.80 C:28 12.87 -12.85 C:15 17.14 -10.18 C:16 15.89 -8.03 C:15 13.37 -8.03 C:26 15.88 -6.63 C:21 14.64 -7.32 C:34 20.81 -5.19 C:34 20.81 -6.63 C:34 19.57 -8.73 C:18 14.64 -11.60 C:29 18.35 -9.45 C:35 15.88 -10.90 C:27 10.95 -9.45 C:132 18.35 -5.19 C:41 17.12 -7.32 C:78 10.95 -10.90 C:39 12.15 -8.73 C:32 19.57 -4.46 C:39 12.15 -11.60 C:137 18.35 -6.63 C:48 19.57 -7.32 C:55 13.37 -10.90 C:51 14.64 -8.73 C:43 17.12 -8.73 C:41 15.88 -9.45 C:37 13.37 -9.45 H 17.12 -6.09 O 9.76 -11.65 C:177 20.90 -7.79 O 21.15 -9.16 C 22.47 -9.62 O 21.96 -6.87 27 1 -2 28 2 -2 23 3 -1 23 4 -2 24 5 -1 24 6 -2 29 7 -2 30 8 -1 31 9 -1 10 11 1 10 20 1 11 28 1 12 13 1 12 23 1 13 26 1 14 16 1 14 26 1 15 17 1 15 27 1 16 29 1 17 30 1 18 21 1 18 22 1 19 23 1 19 25 2 20 25 1 20 29 1 21 24 1 22 31 1 24 27 1 25 26 1 27 31 1 28 30 1 28 31 1 29 30 1 20 32 -1 21 33 -1 26 34 -1 34 35 1 35 36 1 34 37 2', 'C31H50O3', 470.354, 'C', 'A-52', 1773, '', '', '3', 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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