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
(2058, '', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]46[CH2:6][CH2:7][C@:8]1([CH3:30])[C@:9]([H])([CH2:11][CH2:12][C@@:13]2([H])[C@@:14]1([CH3:18])[CH2:15][CH2:16][C@:17]2(O)[C@:20]3([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])O)O3)[C@@:10]45[CH2:1][CH2:2][C@@:3](O)(O[CH2:19]5)[C@:4]6([CH3:28])[CH3:29]', '[H][C@@]46CC[C@]1(C)[C@]([H])(CC[C@@]2([H])[C@@]1(C)CC[C@]2(O)[C@]3(C)CC[C@@H](C(C)(C)O)O3)[C@@]45CC[C@@](O)(OC5)[C@]6(C)C', '[H][C@@:50]46[CH2:20][CH2:33][C@:40]1([CH3:15])[C@:46]([H])([CH2:23][CH2:27][C@@:45]2([H])[C@@:50]1([CH3:17])[CH2:33][CH2:24][C@:84]2(O)[C@:90]3([CH3:22])[CH2:36][CH2:33][C@@H:84]([C:72]([CH3:27])([CH3:25])O)O3)[C@@:36]45[CH2:37][CH2:30][C@@:98](O)(O[CH2:68]5)[C@:41]6([CH3:28])[CH3:19]', '38 43 H 12.75 -15.84 H 16.49 -10.18 H 14.06 -13.61 C:26 20.64 -5.62 C:27 21.99 -7.55 C:28 12.27 -16.71 C:29 10.79 -16.65 C:21 16.90 -9.39 C:18 16.51 -14.04 C:30 15.28 -11.91 O 21.88 -6.21 O 9.19 -15.51 O 19.21 -10.40 C:23 18.32 -7.30 C:22 17.50 -8.40 C:12 15.27 -10.51 C:11 14.03 -11.21 C:6 14.03 -15.46 C:7 15.27 -14.76 C:15 17.82 -13.02 C:2 10.35 -13.31 C:16 18.65 -11.91 C:1 11.55 -12.59 C:19 12.75 -11.91 O 11.48 -13.89 O 19.61 -9.13 C:24 19.64 -7.76 C:25 20.74 -6.98 C:4 11.55 -15.46 C:20 18.27 -9.52 C:5 12.75 -14.76 C:13 16.49 -11.21 C:9 14.03 -12.59 C:14 16.49 -12.59 C:8 15.27 -13.31 C:3 10.35 -14.76 C:17 17.82 -10.81 C:10 12.75 -13.31 31 1 -2 32 2 -1 33 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 30 8 -1 34 9 -2 35 10 -1 11 28 1 36 12 -2 37 13 -2 14 15 1 14 27 1 15 30 1 16 17 1 16 32 1 17 33 1 18 19 1 18 31 1 19 35 1 20 22 1 20 34 1 21 23 1 21 36 1 22 37 1 23 38 1 24 25 1 38 24 -1 36 25 -1 26 27 1 26 30 1 27 28 -1 29 31 1 29 36 1 30 37 1 31 38 1 32 34 1 32 37 1 33 35 1 33 38 1 34 35 1', '38 43 H 12.75 -15.84 H 16.49 -10.18 H 14.06 -13.61 C 20.64 -5.62 C 21.99 -7.55 C 12.27 -16.71 C 10.79 -16.65 C 16.90 -9.39 C 16.51 -14.04 C 15.28 -11.91 O 21.88 -6.21 O 9.19 -15.51 O 19.21 -10.40 C 18.32 -7.30 C 17.50 -8.40 C 15.27 -10.51 C 14.03 -11.21 C 14.03 -15.46 C 15.27 -14.76 C 17.82 -13.02 C 10.35 -13.31 C 18.65 -11.91 C 11.55 -12.59 C 12.75 -11.91 O 11.48 -13.89 O 19.61 -9.13 C 19.64 -7.76 C 20.74 -6.98 C 11.55 -15.46 C 18.27 -9.52 C 12.75 -14.76 C 16.49 -11.21 C 14.03 -12.59 C 16.49 -12.59 C 15.27 -13.31 C 10.35 -14.76 C 17.82 -10.81 C 12.75 -13.31 31 1 -2 32 2 -1 33 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 30 8 -1 34 9 -2 35 10 -1 11 28 1 36 12 -2 37 13 -2 14 15 1 14 27 1 15 30 1 16 17 1 16 32 1 17 33 1 18 19 1 18 31 1 19 35 1 20 22 1 20 34 1 21 23 1 21 36 1 22 37 1 23 38 1 24 25 1 38 24 -1 36 25 -1 26 27 1 26 30 1 27 28 -1 29 31 1 29 36 1 30 37 1 31 38 1 32 34 1 32 37 1 33 35 1 33 38 1 34 35 1', '38 43 H 12.75 -15.84 H 16.49 -10.18 H 14.06 -13.61 C:27 20.64 -5.62 C:25 21.99 -7.55 C:28 12.27 -16.71 C:19 10.79 -16.65 C:22 16.90 -9.39 C:17 16.51 -14.04 C:15 15.28 -11.91 O 21.88 -6.21 O 9.19 -15.51 O 19.21 -10.40 C:33 18.32 -7.30 C:36 17.50 -8.40 C:27 15.27 -10.51 C:23 14.03 -11.21 C:20 14.03 -15.46 C:33 15.27 -14.76 C:33 17.82 -13.02 C:30 10.35 -13.31 C:24 18.65 -11.91 C:37 11.55 -12.59 C:68 12.75 -11.91 O 11.48 -13.89 O 19.61 -9.13 C:84 19.64 -7.76 C:72 20.74 -6.98 C:41 11.55 -15.46 C:90 18.27 -9.52 C:50 12.75 -14.76 C:45 16.49 -11.21 C:46 14.03 -12.59 C:50 16.49 -12.59 C:40 15.27 -13.31 C:98 10.35 -14.76 C:84 17.82 -10.81 C:36 12.75 -13.31 31 1 -2 32 2 -1 33 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 30 8 -1 34 9 -2 35 10 -1 11 28 1 36 12 -2 37 13 -2 14 15 1 14 27 1 15 30 1 16 17 1 16 32 1 17 33 1 18 19 1 18 31 1 19 35 1 20 22 1 20 34 1 21 23 1 21 36 1 22 37 1 23 38 1 24 25 1 38 24 -1 36 25 -1 26 27 1 26 30 1 27 28 -1 29 31 1 29 36 1 30 37 1 31 38 1 32 34 1 32 37 1 33 35 1 33 38 1 34 35 1', 'C30H50O5', 490.342, 'C', 'ph_44_1115_17', 1611, '', '', '2', 1, NULL, NULL),
(2059, '', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:17]2([C@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])O)O1)[CH2:16][CH2:15][C@:14]3([CH3:18])[C@:13]2([H])[CH2:12][CH2:11][C@@:9]5([H])[C@@:8]3([CH3:30])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH3:29])[C@@:3]6(O)[CH2:2][CH2:1][C@@:10]45[CH2:19]O6', '[H][C@]2([C@]1(C)CC[C@@H](C(C)(C)O)O1)CC[C@]3(C)[C@]2([H])CC[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@@](C)(C)[C@@]6(O)CC[C@@]45CO6', '[H][C@:50]2([C@:86]1([CH3:23])[CH2:36][CH2:26][C@@H:83]([C:71]([CH3:27])([CH3:24])O)O1)[CH2:26][CH2:31][C@:50]3([CH3:19])[C@:43]2([H])[CH2:28][CH2:23][C@@:45]5([H])[C@@:39]3([CH3:16])[CH2:33][CH2:20][C@@:49]4([H])[C@@:40]([CH3:24])([CH3:15])[C@@:98]6(O)[CH2:30][CH2:36][C@@:36]45[CH2:68]O6', '38 43 H 17.49 -11.68 H 12.69 -15.86 H 16.46 -10.15 H 14.01 -13.61 C:26 20.64 -5.55 C:27 22.00 -7.50 C:28 12.20 -16.74 C:29 10.71 -16.68 C:21 16.87 -9.36 C:18 16.48 -14.04 C:30 15.24 -11.90 O 21.89 -6.15 O 9.10 -15.53 C:23 18.30 -7.25 C:22 17.48 -8.36 C:16 18.64 -11.90 C:12 15.23 -10.48 C:6 13.98 -15.48 C:11 13.98 -11.19 C:15 17.80 -13.02 C:7 15.23 -14.77 C:2 10.27 -13.31 C:1 11.48 -12.58 C:19 12.69 -11.90 O 11.41 -13.89 O 19.60 -9.09 C:24 19.63 -7.71 C:25 20.74 -6.93 C:4 11.48 -15.48 C:20 18.25 -9.49 C:17 17.80 -10.79 C:5 12.69 -14.77 C:13 16.46 -11.19 C:9 13.98 -12.58 C:14 16.46 -12.58 C:8 15.23 -13.31 C:3 10.27 -14.77 C:10 12.69 -13.31 31 1 -2 32 2 -2 33 3 -1 34 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 30 9 -1 35 10 -2 36 11 -1 12 28 1 37 13 -2 14 15 1 14 27 1 15 30 1 16 20 1 16 31 1 17 19 1 17 33 1 18 21 1 18 32 1 19 34 1 20 35 1 21 36 1 22 23 1 22 37 1 23 38 1 24 25 1 38 24 -1 37 25 -1 26 27 1 26 30 1 27 28 -1 29 32 1 29 37 1 30 31 1 31 33 1 32 38 1 33 35 1 34 36 1 34 38 1 35 36 1', '38 43 H 17.49 -11.68 H 12.69 -15.86 H 16.46 -10.15 H 14.01 -13.61 C 20.64 -5.55 C 22.00 -7.50 C 12.20 -16.74 C 10.71 -16.68 C 16.87 -9.36 C 16.48 -14.04 C 15.24 -11.90 O 21.89 -6.15 O 9.10 -15.53 C 18.30 -7.25 C 17.48 -8.36 C 18.64 -11.90 C 15.23 -10.48 C 13.98 -15.48 C 13.98 -11.19 C 17.80 -13.02 C 15.23 -14.77 C 10.27 -13.31 C 11.48 -12.58 C 12.69 -11.90 O 11.41 -13.89 O 19.60 -9.09 C 19.63 -7.71 C 20.74 -6.93 C 11.48 -15.48 C 18.25 -9.49 C 17.80 -10.79 C 12.69 -14.77 C 16.46 -11.19 C 13.98 -12.58 C 16.46 -12.58 C 15.23 -13.31 C 10.27 -14.77 C 12.69 -13.31 31 1 -2 32 2 -2 33 3 -1 34 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 30 9 -1 35 10 -2 36 11 -1 12 28 1 37 13 -2 14 15 1 14 27 1 15 30 1 16 20 1 16 31 1 17 19 1 17 33 1 18 21 1 18 32 1 19 34 1 20 35 1 21 36 1 22 23 1 22 37 1 23 38 1 24 25 1 38 24 -1 37 25 -1 26 27 1 26 30 1 27 28 -1 29 32 1 29 37 1 30 31 1 31 33 1 32 38 1 33 35 1 34 36 1 34 38 1 35 36 1', '38 43 H 17.49 -11.68 H 12.69 -15.86 H 16.46 -10.15 H 14.01 -13.61 C:27 20.64 -5.55 C:24 22.00 -7.50 C:24 12.20 -16.74 C:15 10.71 -16.68 C:23 16.87 -9.36 C:19 16.48 -14.04 C:16 15.24 -11.90 O 21.89 -6.15 O 9.10 -15.53 C:26 18.30 -7.25 C:36 17.48 -8.36 C:26 18.64 -11.90 C:28 15.23 -10.48 C:20 13.98 -15.48 C:23 13.98 -11.19 C:31 17.80 -13.02 C:33 15.23 -14.77 C:30 10.27 -13.31 C:36 11.48 -12.58 C:68 12.69 -11.90 O 11.41 -13.89 O 19.60 -9.09 C:83 19.63 -7.71 C:71 20.74 -6.93 C:40 11.48 -15.48 C:86 18.25 -9.49 C:50 17.80 -10.79 C:49 12.69 -14.77 C:43 16.46 -11.19 C:45 13.98 -12.58 C:50 16.46 -12.58 C:39 15.23 -13.31 C:98 10.27 -14.77 C:36 12.69 -13.31 31 1 -2 32 2 -2 33 3 -1 34 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 30 9 -1 35 10 -2 36 11 -1 12 28 1 37 13 -2 14 15 1 14 27 1 15 30 1 16 20 1 16 31 1 17 19 1 17 33 1 18 21 1 18 32 1 19 34 1 20 35 1 21 36 1 22 23 1 22 37 1 23 38 1 24 25 1 38 24 -1 37 25 -1 26 27 1 26 30 1 27 28 -1 29 32 1 29 37 1 30 31 1 31 33 1 32 38 1 33 35 1 34 36 1 34 38 1 35 36 1', 'C30H50O4', 474.35, 'C', 'ph_44_1115_18', 1611, '', '', '2', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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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(2114, 'Cabraleadiol', '20S,24S-Epoxidammarane-3a-25-diol', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:18])[CH:9]([CH2:11][CH2:12][CH:13]2[C@@H:17]([C@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:27])([CH3:26])O)O1)[CH2:16][CH2:15][C@:14]23[CH3:30])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]5([CH3:29])[CH3:28]', '[H][C@@]45CC[C@]3(C)C(CCC2[C@@H]([C@]1(C)CC[C@@H](C(C)(C)O)O1)CC[C@]23C)[C@@]4(C)CC[C@@H](O)[C@@]5(C)C', '[H][C@@:50]45[CH2:18][CH2:35][C@:41]3([CH3:16])[CH:51]([CH2:22][CH2:27][CH:43]2[C@@H:50]([C@:87]1([CH3:27])[CH2:35][CH2:26][C@@H:86]([C:70]([CH3:24])([CH3:28])O)O1)[CH2:26][CH2:31][C@:50]23[CH3:17])[C@@:37]4([CH3:16])[CH2:34][CH2:25][C@@H:76](O)[C@@:38]5([CH3:22])[CH3:28]', '34 38 H 16.16 -14.78 C:26 23.95 -4.39 C:27 25.36 -6.34 C:28 15.67 -15.64 C:29 14.17 -15.59 C:21 20.32 -8.82 C:30 19.91 -13.00 C:19 16.16 -10.85 C:18 18.67 -10.85 O 25.22 -4.96 C:2 13.73 -12.27 C:12 18.66 -9.44 C:16 22.03 -10.85 C:11 17.42 -10.15 C:3 13.71 -13.67 C:1 14.94 -11.55 C:15 21.21 -11.97 C:22 20.83 -7.26 C:6 17.42 -14.42 C:7 18.66 -13.72 C:23 21.65 -6.15 O 22.97 -7.96 C:17 21.21 -9.72 C:13 19.89 -10.15 C:9 17.42 -11.55 C:25 24.09 -5.77 C:4 14.94 -14.42 C:20 21.64 -8.39 C:5 16.16 -13.72 C:14 19.89 -11.55 C:10 16.16 -12.27 C:8 18.66 -12.27 C:24 22.98 -6.58 O 12.47 -14.31 29 1 -2 2 26 1 3 26 1 27 4 -2 27 5 -1 28 6 -1 30 7 -2 31 8 -1 32 9 -1 10 26 1 11 15 1 11 16 1 12 14 1 12 24 1 13 17 1 13 23 1 14 25 1 15 27 1 16 31 1 17 30 1 18 21 1 18 28 1 19 20 1 19 29 1 20 32 1 21 33 1 22 28 1 22 33 1 23 24 1 23 28 -1 24 30 1 25 31 1 25 32 1 33 26 -1 27 29 1 29 31 1 30 32 1 15 34 -2', '34 38 H 16.16 -14.78 C 23.95 -4.39 C 25.36 -6.34 C 15.67 -15.64 C 14.17 -15.59 C 20.32 -8.82 C 19.91 -13.00 C 16.16 -10.85 C 18.67 -10.85 O 25.22 -4.96 C 13.73 -12.27 C 18.66 -9.44 C 22.03 -10.85 C 17.42 -10.15 C 13.71 -13.67 C 14.94 -11.55 C 21.21 -11.97 C 20.83 -7.26 C 17.42 -14.42 C 18.66 -13.72 C 21.65 -6.15 O 22.97 -7.96 C 21.21 -9.72 C 19.89 -10.15 C 17.42 -11.55 C 24.09 -5.77 C 14.94 -14.42 C 21.64 -8.39 C 16.16 -13.72 C 19.89 -11.55 C 16.16 -12.27 C 18.66 -12.27 C 22.98 -6.58 O 12.47 -14.31 29 1 -2 2 26 1 3 26 1 27 4 -2 27 5 -1 28 6 -1 30 7 -2 31 8 -1 32 9 -1 10 26 1 11 15 1 11 16 1 12 14 1 12 24 1 13 17 1 13 23 1 14 25 1 15 27 1 16 31 1 17 30 1 18 21 1 18 28 1 19 20 1 19 29 1 20 32 1 21 33 1 22 28 1 22 33 1 23 24 1 23 28 -1 24 30 1 25 31 1 25 32 1 33 26 -1 27 29 1 29 31 1 30 32 1 15 34 -2', '34 38 H 16.16 -14.78 C:28 23.95 -4.39 C:24 25.36 -6.34 C:28 15.67 -15.64 C:22 14.17 -15.59 C:27 20.32 -8.82 C:17 19.91 -13.00 C:16 16.16 -10.85 C:16 18.67 -10.85 O 25.22 -4.96 C:25 13.73 -12.27 C:27 18.66 -9.44 C:26 22.03 -10.85 C:22 17.42 -10.15 C:76 13.71 -13.67 C:34 14.94 -11.55 C:31 21.21 -11.97 C:35 20.83 -7.26 C:18 17.42 -14.42 C:35 18.66 -13.72 C:26 21.65 -6.15 O 22.97 -7.96 C:50 21.21 -9.72 C:43 19.89 -10.15 C:51 17.42 -11.55 C:70 24.09 -5.77 C:38 14.94 -14.42 C:87 21.64 -8.39 C:50 16.16 -13.72 C:50 19.89 -11.55 C:37 16.16 -12.27 C:41 18.66 -12.27 C:86 22.98 -6.58 O 12.47 -14.31 29 1 -2 2 26 1 3 26 1 27 4 -2 27 5 -1 28 6 -1 30 7 -2 31 8 -1 32 9 -1 10 26 1 11 15 1 11 16 1 12 14 1 12 24 1 13 17 1 13 23 1 14 25 1 15 27 1 16 31 1 17 30 1 18 21 1 18 28 1 19 20 1 19 29 1 20 32 1 21 33 1 22 28 1 22 33 1 23 24 1 23 28 -1 24 30 1 25 31 1 25 32 1 33 26 -1 27 29 1 29 31 1 30 32 1 15 34 -2', 'C30H52O3', 460.327, 'C', 'mrc_96_146_2', 886, '', '', '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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(2116, 'Shoreic acid', '20S,24S-Epoxi-25-hydroxy-3,4-secodammar-4(28)-en-3-oic acid', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]4([C:4](=[CH2:28])[CH3:29])[CH2:6][CH2:7][C@:8]3([CH3:18])[C@:9]([H])([CH2:11][CH2:12][CH:13]2[C@@H:17]([C@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])O)O1)[CH2:16][CH2:15][C@:14]23[CH3:30])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C:3](=O)O', '[H][C@@]4(C(=C)C)CC[C@]3(C)[C@]([H])(CCC2[C@@H]([C@]1(C)CC[C@@H](C(C)(C)O)O1)CC[C@]23C)[C@@]4(C)CCC(=O)O', '[H][C@@:41]4([C:148](=[CH2:113])[CH3:23])[CH2:25][CH2:34][C@:40]3([CH3:15])[C@:51]([H])([CH2:22][CH2:27][CH:43]2[C@@H:50]([C@:87]1([CH3:27])[CH2:35][CH2:26][C@@H:86]([C:70]([CH3:28])([CH3:24])O)O1)[CH2:26][CH2:32][C@:50]23[CH3:16])[C@@:39]4([CH3:20])[CH2:28][CH2:34][C:179](=O)O', '36 39 H 16.75 -14.74 H 18.06 -12.49 C:28 14.30 -13.67 C:29 15.52 -15.77 C:27 24.61 -4.23 C:26 26.03 -6.21 C:21 20.94 -8.71 C:30 20.52 -12.93 C:19 16.75 -10.76 C:18 19.28 -10.76 O 13.05 -10.11 O 25.89 -4.81 C:2 14.27 -12.20 C:12 19.27 -9.34 C:16 22.66 -10.76 C:1 15.50 -11.47 C:11 18.03 -10.05 C:15 21.83 -11.88 C:6 18.03 -14.37 C:22 21.45 -7.15 C:7 19.27 -13.66 C:23 22.28 -6.02 O 11.85 -12.23 O 23.59 -7.85 C:4 15.50 -14.37 C:3 13.05 -11.52 C:17 21.83 -9.62 C:13 20.50 -10.05 C:25 24.75 -5.63 C:5 16.75 -13.66 C:9 18.03 -11.47 C:20 22.27 -8.28 C:14 20.50 -11.47 C:10 16.75 -12.20 C:8 19.27 -12.20 C:24 23.60 -6.45 30 1 -2 31 2 -2 3 25 2 4 25 1 5 29 1 6 29 1 32 7 -1 33 8 -2 34 9 -1 35 10 -1 11 26 2 12 29 1 13 16 1 13 26 1 14 17 1 14 28 1 15 18 1 15 27 1 16 34 1 17 31 1 18 33 1 19 21 1 19 30 1 20 22 1 20 32 1 21 35 1 22 36 1 23 26 1 24 32 1 24 36 1 25 30 1 27 28 1 27 32 -1 28 33 1 36 29 -1 30 34 1 31 34 1 31 35 1 33 35 1', '36 39 H 16.75 -14.74 H 18.06 -12.49 C 14.30 -13.67 C 15.52 -15.77 C 24.61 -4.23 C 26.03 -6.21 C 20.94 -8.71 C 20.52 -12.93 C 16.75 -10.76 C 19.28 -10.76 O 13.05 -10.11 O 25.89 -4.81 C 14.27 -12.20 C 19.27 -9.34 C 22.66 -10.76 C 15.50 -11.47 C 18.03 -10.05 C 21.83 -11.88 C 18.03 -14.37 C 21.45 -7.15 C 19.27 -13.66 C 22.28 -6.02 O 11.85 -12.23 O 23.59 -7.85 C 15.50 -14.37 C 13.05 -11.52 C 21.83 -9.62 C 20.50 -10.05 C 24.75 -5.63 C 16.75 -13.66 C 18.03 -11.47 C 22.27 -8.28 C 20.50 -11.47 C 16.75 -12.20 C 19.27 -12.20 C 23.60 -6.45 30 1 -2 31 2 -2 3 25 2 4 25 1 5 29 1 6 29 1 32 7 -1 33 8 -2 34 9 -1 35 10 -1 11 26 2 12 29 1 13 16 1 13 26 1 14 17 1 14 28 1 15 18 1 15 27 1 16 34 1 17 31 1 18 33 1 19 21 1 19 30 1 20 22 1 20 32 1 21 35 1 22 36 1 23 26 1 24 32 1 24 36 1 25 30 1 27 28 1 27 32 -1 28 33 1 36 29 -1 30 34 1 31 34 1 31 35 1 33 35 1', '36 39 H 16.75 -14.74 H 18.06 -12.49 C:113 14.30 -13.67 C:23 15.52 -15.77 C:24 24.61 -4.23 C:28 26.03 -6.21 C:27 20.94 -8.71 C:16 20.52 -12.93 C:20 16.75 -10.76 C:15 19.28 -10.76 O 13.05 -10.11 O 25.89 -4.81 C:34 14.27 -12.20 C:27 19.27 -9.34 C:26 22.66 -10.76 C:28 15.50 -11.47 C:22 18.03 -10.05 C:32 21.83 -11.88 C:25 18.03 -14.37 C:35 21.45 -7.15 C:34 19.27 -13.66 C:26 22.28 -6.02 O 11.85 -12.23 O 23.59 -7.85 C:148 15.50 -14.37 C:179 13.05 -11.52 C:50 21.83 -9.62 C:43 20.50 -10.05 C:70 24.75 -5.63 C:41 16.75 -13.66 C:51 18.03 -11.47 C:87 22.27 -8.28 C:50 20.50 -11.47 C:39 16.75 -12.20 C:40 19.27 -12.20 C:86 23.60 -6.45 30 1 -2 31 2 -2 3 25 2 4 25 1 5 29 1 6 29 1 32 7 -1 33 8 -2 34 9 -1 35 10 -1 11 26 2 12 29 1 13 16 1 13 26 1 14 17 1 14 28 1 15 18 1 15 27 1 16 34 1 17 31 1 18 33 1 19 21 1 19 30 1 20 22 1 20 32 1 21 35 1 22 36 1 23 26 1 24 32 1 24 36 1 25 30 1 27 28 1 27 32 -1 28 33 1 36 29 -1 30 34 1 31 34 1 31 35 1 33 35 1', 'C30H50O4', 474.334, 'C', 'mrc_96_146_3', 886, '', '', '1', 1, NULL, NULL),
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(2128, '6beta-Hydroxykulactone', '', 'Terpenoids', 'Triterpenoids', 'Euphanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]5[C@H:16]([CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][C@@H:6](O)[C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@:10]34[CH3:19])O[C:21](=O)[C@H:20]5[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27]', '[H][C@]23CC[C@@]1(C)[C@H]5[C@H](C[C@]1(C)C2=C[C@@H](O)[C@@]4([H])[C@](C)(C)C(=O)CC[C@]34C)OC(=O)[C@H]5CCC=C(C)C', '[H][C@:49]23[CH2:17][CH2:30][C@@:40]1([CH3:22])[C@H:58]5[C@H:82]([CH2:36][C@:55]1([CH3:32])[C:146]2=[CH:122][C@@H:67](O)[C@@:57]4([H])[C@:49]([CH3:24])([CH3:25])[C:216](=O)[CH2:35][CH2:40][C@:36]34[CH3:15])O[C:181](=O)[C@H:46]5[CH2:30][CH2:26][CH:124]=[C:133]([CH3:18])[CH3:26]', '36 40 H 17.05 -12.58 H 15.73 -14.83 C:26 24.05 -4.19 C:27 25.81 -5.81 C:29 13.72 -15.66 C:28 15.24 -15.71 C:30 19.53 -13.02 C:18 19.52 -8.73 C:19 15.73 -10.86 O 12.09 -14.47 O 24.11 -8.22 O 17.07 -15.85 C:24 23.54 -6.54 C:7 18.26 -13.75 C:23 22.19 -6.25 C:2 13.28 -12.29 C:22 21.24 -7.28 C:1 14.50 -11.55 C:11 17.02 -10.14 C:12 18.26 -9.42 C:15 20.84 -11.98 O 22.99 -10.42 C:25 24.47 -5.52 C:3 13.28 -13.75 C:21 22.99 -9.03 C:8 18.26 -12.29 C:6 17.02 -14.45 C:16 21.66 -10.86 C:20 21.66 -8.60 C:17 20.84 -9.72 C:4 14.50 -14.45 C:9 17.02 -11.55 C:14 19.51 -11.55 C:13 19.51 -10.14 C:10 15.73 -12.29 C:5 15.73 -13.75 32 1 -2 36 2 -2 3 23 1 4 23 1 31 5 -1 31 6 -2 33 7 -1 34 8 -2 35 9 -1 10 24 2 11 25 2 27 12 -1 13 15 1 13 23 2 14 26 2 14 27 1 15 17 1 16 18 1 16 24 1 29 17 -1 18 35 1 19 20 1 19 32 1 20 34 1 21 28 1 21 33 1 22 25 1 28 22 -1 24 31 1 25 29 1 26 32 1 26 33 1 27 36 1 28 30 1 30 29 -2 30 34 1 31 36 1 32 35 1 33 34 1 35 36 1', '36 40 H 17.05 -12.58 H 15.73 -14.83 C 24.05 -4.19 C 25.81 -5.81 C 13.72 -15.66 C 15.24 -15.71 C 19.53 -13.02 C 19.52 -8.73 C 15.73 -10.86 O 12.09 -14.47 O 24.11 -8.22 O 17.07 -15.85 C 23.54 -6.54 C 18.26 -13.75 C 22.19 -6.25 C 13.28 -12.29 C 21.24 -7.28 C 14.50 -11.55 C 17.02 -10.14 C 18.26 -9.42 C 20.84 -11.98 O 22.99 -10.42 C 24.47 -5.52 C 13.28 -13.75 C 22.99 -9.03 C 18.26 -12.29 C 17.02 -14.45 C 21.66 -10.86 C 21.66 -8.60 C 20.84 -9.72 C 14.50 -14.45 C 17.02 -11.55 C 19.51 -11.55 C 19.51 -10.14 C 15.73 -12.29 C 15.73 -13.75 32 1 -2 36 2 -2 3 23 1 4 23 1 31 5 -1 31 6 -2 33 7 -1 34 8 -2 35 9 -1 10 24 2 11 25 2 27 12 -1 13 15 1 13 23 2 14 26 2 14 27 1 15 17 1 16 18 1 16 24 1 29 17 -1 18 35 1 19 20 1 19 32 1 20 34 1 21 28 1 21 33 1 22 25 1 28 22 -1 24 31 1 25 29 1 26 32 1 26 33 1 27 36 1 28 30 1 30 29 -2 30 34 1 31 36 1 32 35 1 33 34 1 35 36 1', '36 40 H 17.05 -12.58 H 15.73 -14.83 C:18 24.05 -4.19 C:26 25.81 -5.81 C:24 13.72 -15.66 C:25 15.24 -15.71 C:32 19.53 -13.02 C:22 19.52 -8.73 C:15 15.73 -10.86 O 12.09 -14.47 O 24.11 -8.22 O 17.07 -15.85 C:124 23.54 -6.54 C:122 18.26 -13.75 C:26 22.19 -6.25 C:35 13.28 -12.29 C:30 21.24 -7.28 C:40 14.50 -11.55 C:17 17.02 -10.14 C:30 18.26 -9.42 C:36 20.84 -11.98 O 22.99 -10.42 C:133 24.47 -5.52 C:216 13.28 -13.75 C:181 22.99 -9.03 C:146 18.26 -12.29 C:67 17.02 -14.45 C:82 21.66 -10.86 C:46 21.66 -8.60 C:58 20.84 -9.72 C:49 14.50 -14.45 C:49 17.02 -11.55 C:55 19.51 -11.55 C:40 19.51 -10.14 C:36 15.73 -12.29 C:57 15.73 -13.75 32 1 -2 36 2 -2 3 23 1 4 23 1 31 5 -1 31 6 -2 33 7 -1 34 8 -2 35 9 -1 10 24 2 11 25 2 27 12 -1 13 15 1 13 23 2 14 26 2 14 27 1 15 17 1 16 18 1 16 24 1 29 17 -1 18 35 1 19 20 1 19 32 1 20 34 1 21 28 1 21 33 1 22 25 1 28 22 -1 24 31 1 25 29 1 26 32 1 26 33 1 27 36 1 28 30 1 30 29 -2 30 34 1 31 36 1 32 35 1 33 34 1 35 36 1', 'C30H44O4', 468.334, 'C', 'np99_546_2', 296, 'Intercambiados Me 26 y 27', '', '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
(2129, 'Antiquol C', '', 'Terpenoids', 'Triterpenoids', 'Euphanes', '[H][C@@:17]3([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@@:13]34[CH3:18]', '[H][C@@]3([C@H](C)CCC=C(C)C)CC[C@]4(C)C2=CC[C@@]1([H])[C@@](C)(C)[C@@H](O)CC[C@]1(C)C2=CC[C@@]34C', '[H][C@@:51]3([C@H:36]([CH3:19])[CH2:35][CH2:25][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:28][CH2:31][C@:50]4([CH3:23])[C:141]2=[CH:119][CH2:24][C@@:48]1([H])[C@@:39]([CH3:28])([CH3:15])[C@@H:79](O)[CH2:28][CH2:36][C@:36]1([CH3:21])[C:145]2=[CH:115][CH2:38][C@@:44]34[CH3:16]', '33 36 H 11.39 -5.80 H 6.58 -9.97 C:26 18.14 -4.75 C:27 16.31 -6.37 C:21 11.16 -2.47 C:28 6.09 -10.85 C:29 4.58 -10.80 C:19 6.58 -6.02 C:30 10.36 -8.17 C:18 10.35 -3.91 O 2.95 -9.62 C:24 15.81 -3.99 C:7 9.10 -8.90 C:11 7.86 -5.31 C:23 14.43 -4.28 C:6 7.86 -9.60 C:12 9.10 -4.59 C:22 13.49 -3.24 C:2 4.13 -7.45 C:1 5.36 -6.71 C:16 12.48 -6.02 C:15 11.66 -7.13 C:25 16.75 -5.06 C:9 7.86 -6.71 C:8 9.10 -7.45 C:20 12.10 -3.54 C:3 4.13 -8.90 C:4 5.36 -9.60 C:17 11.66 -4.88 C:5 6.58 -8.90 C:10 6.58 -7.45 C:14 10.34 -6.71 C:13 10.34 -5.31 29 1 -1 30 2 -2 3 23 1 4 23 1 26 5 -2 28 6 -2 28 7 -1 31 8 -1 32 9 -1 33 10 -2 27 11 -1 12 15 1 12 23 2 13 16 1 13 25 2 14 17 1 14 24 2 15 18 1 16 30 1 17 33 1 18 26 1 19 20 1 19 27 1 20 31 1 21 22 1 21 29 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 27 28 1 28 30 1 29 33 1 30 31 1 32 33 1', '33 36 H 11.39 -5.80 H 6.58 -9.97 C 18.14 -4.75 C 16.31 -6.37 C 11.16 -2.47 C 6.09 -10.85 C 4.58 -10.80 C 6.58 -6.02 C 10.36 -8.17 C 10.35 -3.91 O 2.95 -9.62 C 15.81 -3.99 C 9.10 -8.90 C 7.86 -5.31 C 14.43 -4.28 C 7.86 -9.60 C 9.10 -4.59 C 13.49 -3.24 C 4.13 -7.45 C 5.36 -6.71 C 12.48 -6.02 C 11.66 -7.13 C 16.75 -5.06 C 7.86 -6.71 C 9.10 -7.45 C 12.10 -3.54 C 4.13 -8.90 C 5.36 -9.60 C 11.66 -4.88 C 6.58 -8.90 C 6.58 -7.45 C 10.34 -6.71 C 10.34 -5.31 29 1 -1 30 2 -2 3 23 1 4 23 1 26 5 -2 28 6 -2 28 7 -1 31 8 -1 32 9 -1 33 10 -2 27 11 -1 12 15 1 12 23 2 13 16 1 13 25 2 14 17 1 14 24 2 15 18 1 16 30 1 17 33 1 18 26 1 19 20 1 19 27 1 20 31 1 21 22 1 21 29 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 27 28 1 28 30 1 29 33 1 30 31 1 32 33 1', '33 36 H 11.39 -5.80 H 6.58 -9.97 C:26 18.14 -4.75 C:18 16.31 -6.37 C:19 11.16 -2.47 C:28 6.09 -10.85 C:15 4.58 -10.80 C:21 6.58 -6.02 C:23 10.36 -8.17 C:16 10.35 -3.91 O 2.95 -9.62 C:125 15.81 -3.99 C:119 9.10 -8.90 C:115 7.86 -5.31 C:25 14.43 -4.28 C:24 7.86 -9.60 C:38 9.10 -4.59 C:35 13.49 -3.24 C:28 4.13 -7.45 C:36 5.36 -6.71 C:28 12.48 -6.02 C:31 11.66 -7.13 C:131 16.75 -5.06 C:145 7.86 -6.71 C:141 9.10 -7.45 C:36 12.10 -3.54 C:79 4.13 -8.90 C:39 5.36 -9.60 C:51 11.66 -4.88 C:48 6.58 -8.90 C:36 6.58 -7.45 C:50 10.34 -6.71 C:44 10.34 -5.31 29 1 -1 30 2 -2 3 23 1 4 23 1 26 5 -2 28 6 -2 28 7 -1 31 8 -1 32 9 -1 33 10 -2 27 11 -1 12 15 1 12 23 2 13 16 1 13 25 2 14 17 1 14 24 2 15 18 1 16 30 1 17 33 1 18 26 1 19 20 1 19 27 1 20 31 1 21 22 1 21 29 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 27 28 1 28 30 1 29 33 1 30 31 1 32 33 1', 'C30H48O', 424.336, 'C', 'np02_158_2', 72, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(2151, 'Wilforic acid F', '2b-hydroxy-3-oxo-friedelan-29-oic acid', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]24[CH2:7][CH2:6][C@:5]1([CH3:24])[C@@H:4]([CH3:23])[C:3](=O)[C@@H:2](O)[CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@]24CC[C@]1(C)[C@@H](C)C(=O)[C@@H](O)C[C@@]1([H])[C@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]45C', '[H][C@:51]24[CH2:18][CH2:41][C@:43]1([CH3:15])[C@@H:56]([CH3:7])[C:212](=O)[C@@H:75](O)[CH2:33][C@@:57]1([H])[C@:37]2([CH3:19])[CH2:35][CH2:30][C@@:39]5([CH3:18])[C@:44]3([H])[CH2:30][C@:40]([CH3:31])([C:184](=O)O)[CH2:30][CH2:37][C@:30]3([CH3:32])[CH2:36][CH2:29][C@:39]45[CH3:16]', '37 41 H 14.97 -9.02 H 17.44 -8.34 H 12.47 -9.02 C:30 17.79 -3.89 C:28 18.67 -6.47 C:24 12.47 -12.91 C:25 13.72 -10.77 C:26 16.25 -10.77 C:27 16.20 -6.47 C:23 11.24 -13.59 O 20.87 -3.94 O 8.81 -12.18 O 18.90 -2.57 O 8.81 -9.34 C:21 19.91 -5.75 C:22 19.91 -7.20 C:16 18.67 -9.34 C:7 14.97 -11.48 C:6 13.72 -12.19 C:15 17.44 -10.05 C:11 13.72 -7.91 C:12 14.97 -7.20 C:1 11.24 -9.34 C:19 17.44 -5.75 C:29 19.48 -3.84 C:3 10.01 -11.48 C:4 11.24 -12.19 C:2 10.01 -10.05 C:20 18.67 -5.04 C:17 18.67 -7.91 C:8 14.97 -10.05 C:18 17.44 -7.20 C:10 12.47 -10.05 C:5 12.47 -11.48 C:9 13.72 -9.34 C:14 16.20 -9.34 C:13 16.20 -7.91 31 1 -2 32 2 -1 33 3 -2 29 4 -1 30 5 -1 34 6 -1 35 7 -1 36 8 -1 37 9 -2 27 10 -1 11 25 2 12 26 2 13 25 1 28 14 -1 15 16 1 15 29 1 16 30 1 17 20 1 17 30 1 18 19 1 18 31 1 19 34 1 20 36 1 21 22 1 21 35 1 22 37 1 23 28 1 23 33 1 24 29 1 24 32 1 29 25 -2 26 27 1 26 28 1 27 34 1 30 32 1 31 35 1 31 36 1 32 37 1 33 34 1 33 35 1 36 37 1', '37 41 H 14.97 -9.02 H 17.44 -8.34 H 12.47 -9.02 C 17.79 -3.89 C 18.67 -6.47 C 12.47 -12.91 C 13.72 -10.77 C 16.25 -10.77 C 16.20 -6.47 C 11.24 -13.59 O 20.87 -3.94 O 8.81 -12.18 O 18.90 -2.57 O 8.81 -9.34 C 19.91 -5.75 C 19.91 -7.20 C 18.67 -9.34 C 14.97 -11.48 C 13.72 -12.19 C 17.44 -10.05 C 13.72 -7.91 C 14.97 -7.20 C 11.24 -9.34 C 17.44 -5.75 C 19.48 -3.84 C 10.01 -11.48 C 11.24 -12.19 C 10.01 -10.05 C 18.67 -5.04 C 18.67 -7.91 C 14.97 -10.05 C 17.44 -7.20 C 12.47 -10.05 C 12.47 -11.48 C 13.72 -9.34 C 16.20 -9.34 C 16.20 -7.91 31 1 -2 32 2 -1 33 3 -2 29 4 -1 30 5 -1 34 6 -1 35 7 -1 36 8 -1 37 9 -2 27 10 -1 11 25 2 12 26 2 13 25 1 28 14 -1 15 16 1 15 29 1 16 30 1 17 20 1 17 30 1 18 19 1 18 31 1 19 34 1 20 36 1 21 22 1 21 35 1 22 37 1 23 28 1 23 33 1 24 29 1 24 32 1 29 25 -2 26 27 1 26 28 1 27 34 1 30 32 1 31 35 1 31 36 1 32 37 1 33 34 1 33 35 1 36 37 1', '37 41 H 14.97 -9.02 H 17.44 -8.34 H 12.47 -9.02 C:31 17.79 -3.89 C:32 18.67 -6.47 C:15 12.47 -12.91 C:19 13.72 -10.77 C:16 16.25 -10.77 C:18 16.20 -6.47 C:7 11.24 -13.59 O 20.87 -3.94 O 8.81 -12.18 O 18.90 -2.57 O 8.81 -9.34 C:30 19.91 -5.75 C:37 19.91 -7.20 C:36 18.67 -9.34 C:18 14.97 -11.48 C:41 13.72 -12.19 C:29 17.44 -10.05 C:35 13.72 -7.91 C:30 14.97 -7.20 C:33 11.24 -9.34 C:30 17.44 -5.75 C:184 19.48 -3.84 C:212 10.01 -11.48 C:56 11.24 -12.19 C:75 10.01 -10.05 C:40 18.67 -5.04 C:30 18.67 -7.91 C:51 14.97 -10.05 C:44 17.44 -7.20 C:57 12.47 -10.05 C:43 12.47 -11.48 C:37 13.72 -9.34 C:39 16.20 -9.34 C:39 16.20 -7.91 31 1 -2 32 2 -1 33 3 -2 29 4 -1 30 5 -1 34 6 -1 35 7 -1 36 8 -1 37 9 -2 27 10 -1 11 25 2 12 26 2 13 25 1 28 14 -1 15 16 1 15 29 1 16 30 1 17 20 1 17 30 1 18 19 1 18 31 1 19 34 1 20 36 1 21 22 1 21 35 1 22 37 1 23 28 1 23 33 1 24 29 1 24 32 1 29 25 -2 26 27 1 26 28 1 27 34 1 30 32 1 31 35 1 31 36 1 32 37 1 33 34 1 33 35 1 36 37 1', 'C30H48O4', 472.342, 'C', 'ph_53_805_3', 545, '', '', '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
(2152, '', '29-Hydroxy-3-oxo-olean-12-en-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH2:29]O)[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[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]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(CO)CC[C@]1(C(=O)O)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@@:40]12[CH2:40][C@:36]([CH3:19])([CH2:74]O)[CH2:28][CH2:32][C@:47]1([C:183](=O)O)[CH2:24][CH2:28][C@:42]5([CH3:26])[C:143]2=[CH:123][CH2:23][C@:47]4([H])[C@@:37]3([CH3:15])[CH2:39][CH2:34][C:218](=O)[C@:48]([CH3:27])([CH3:22])[C@:55]3([H])[CH2:20][CH2:32][C@:39]45[CH3:17]', '37 41 H 18.05 -10.97 H 14.40 -12.81 H 13.09 -15.04 C:23 12.58 -15.91 C:24 11.09 -15.86 C:30 18.48 -6.36 C:27 16.86 -13.25 C:25 13.09 -11.10 C:26 15.61 -11.10 O 20.51 -12.47 O 9.49 -14.72 O 21.50 -6.51 O 21.69 -10.35 C:12 15.60 -9.69 C:29 20.11 -6.37 C:11 14.37 -10.38 C:2 10.67 -12.52 C:21 20.52 -8.26 C:1 11.86 -11.80 C:6 14.37 -14.67 C:15 18.05 -12.52 C:7 15.60 -13.97 C:22 20.52 -9.69 C:16 19.28 -11.80 C:19 18.05 -8.26 C:28 20.50 -11.08 C:3 10.67 -13.97 C:13 16.84 -10.38 C:4 11.86 -14.67 C:20 19.28 -7.53 C:18 18.05 -9.69 C:9 14.37 -11.80 C:5 13.09 -13.97 C:14 16.84 -11.80 C:10 13.09 -12.52 C:8 15.60 -12.52 C:17 19.28 -10.38 31 1 -1 32 2 -2 33 3 -2 29 4 -2 29 5 -1 30 6 -1 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 30 15 -2 16 32 1 17 19 1 17 27 1 18 23 1 18 30 1 19 35 1 20 22 1 20 33 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 30 1 25 31 1 37 26 -1 27 29 1 28 31 1 28 34 1 29 33 1 31 37 1 32 35 1 32 36 1 33 35 1 34 36 1', '37 41 H 18.05 -10.97 H 14.40 -12.81 H 13.09 -15.04 C 12.58 -15.91 C 11.09 -15.86 C 18.48 -6.36 C 16.86 -13.25 C 13.09 -11.10 C 15.61 -11.10 O 20.51 -12.47 O 9.49 -14.72 O 21.50 -6.51 O 21.69 -10.35 C 15.60 -9.69 C 20.11 -6.37 C 14.37 -10.38 C 10.67 -12.52 C 20.52 -8.26 C 11.86 -11.80 C 14.37 -14.67 C 18.05 -12.52 C 15.60 -13.97 C 20.52 -9.69 C 19.28 -11.80 C 18.05 -8.26 C 20.50 -11.08 C 10.67 -13.97 C 16.84 -10.38 C 11.86 -14.67 C 19.28 -7.53 C 18.05 -9.69 C 14.37 -11.80 C 13.09 -13.97 C 16.84 -11.80 C 13.09 -12.52 C 15.60 -12.52 C 19.28 -10.38 31 1 -1 32 2 -2 33 3 -2 29 4 -2 29 5 -1 30 6 -1 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 30 15 -2 16 32 1 17 19 1 17 27 1 18 23 1 18 30 1 19 35 1 20 22 1 20 33 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 30 1 25 31 1 37 26 -1 27 29 1 28 31 1 28 34 1 29 33 1 31 37 1 32 35 1 32 36 1 33 35 1 34 36 1', '37 41 H 18.05 -10.97 H 14.40 -12.81 H 13.09 -15.04 C:27 12.58 -15.91 C:22 11.09 -15.86 C:19 18.48 -6.36 C:26 16.86 -13.25 C:15 13.09 -11.10 C:17 15.61 -11.10 O 20.51 -12.47 O 9.49 -14.72 O 21.50 -6.51 O 21.69 -10.35 C:123 15.60 -9.69 C:74 20.11 -6.37 C:23 14.37 -10.38 C:34 10.67 -12.52 C:28 20.52 -8.26 C:39 11.86 -11.80 C:20 14.37 -14.67 C:28 18.05 -12.52 C:32 15.60 -13.97 C:32 20.52 -9.69 C:24 19.28 -11.80 C:40 18.05 -8.26 C:183 20.50 -11.08 C:218 10.67 -13.97 C:143 16.84 -10.38 C:48 11.86 -14.67 C:36 19.28 -7.53 C:40 18.05 -9.69 C:47 14.37 -11.80 C:55 13.09 -13.97 C:42 16.84 -11.80 C:37 13.09 -12.52 C:39 15.60 -12.52 C:47 19.28 -10.38 31 1 -1 32 2 -2 33 3 -2 29 4 -2 29 5 -1 30 6 -1 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 30 15 -2 16 32 1 17 19 1 17 27 1 18 23 1 18 30 1 19 35 1 20 22 1 20 33 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 30 1 25 31 1 37 26 -1 27 29 1 28 31 1 28 34 1 29 33 1 31 37 1 32 35 1 32 36 1 33 35 1 34 36 1', 'C30H46O4', 470.342, 'C', 'ph_53_805_4', 545, '', '', '1', 1, NULL, NULL),
(2153, 'Orthosphenic acid', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]35[CH2:7][CH2:6][C@:5]12[CH2:24]O[C@:3](O)([C@@H:4]1[CH3:23])[C@H:2](O)[CH2:1][C@@:10]2([H])[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]6([CH3:27])[C@:18]4([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]4([CH3:28])[CH2:16][CH2:15][C@:14]56[CH3:26]', '[H][C@]35CC[C@]12CO[C@](O)([C@@H]1C)[C@H](O)C[C@@]2([H])[C@]3(C)CC[C@@]6(C)[C@]4([H])C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]56C', '[H][C@:50]35[CH2:20][CH2:34][C@:48]12[CH2:72]O[C@:108](O)([C@@H:47]1[CH3:8])[C@H:74](O)[CH2:29][C@@:53]2([H])[C@:38]3([CH3:17])[CH2:35][CH2:30][C@@:40]6([CH3:18])[C@:45]4([H])[CH2:31][C@:41]([CH3:32])([C:181](=O)O)[CH2:31][CH2:37][C@:31]4([CH3:32])[CH2:37][CH2:30][C@:39]56[CH3:17]', '38 43 H 15.69 -11.05 H 18.10 -10.37 H 13.24 -11.05 C:23 12.04 -15.58 C:30 18.45 -6.02 C:28 19.31 -8.55 C:25 14.47 -12.77 C:26 16.93 -12.77 C:27 16.89 -8.55 O 19.54 -4.72 O 21.48 -6.07 O 9.64 -11.37 O 9.60 -14.15 C:21 20.53 -7.84 C:22 20.53 -9.26 C:16 19.31 -11.36 C:7 15.69 -13.46 C:15 18.10 -12.06 C:11 14.47 -9.96 C:12 15.69 -9.26 C:6 14.47 -14.17 C:24 13.24 -14.88 C:1 12.04 -11.36 C:19 18.10 -7.84 O 10.82 -14.84 C:29 20.11 -5.97 C:4 12.04 -14.17 C:2 10.82 -12.06 C:20 19.31 -7.15 C:17 19.31 -9.96 C:8 15.69 -12.06 C:18 18.10 -9.26 C:10 13.24 -12.06 C:9 14.47 -11.36 C:14 16.89 -11.36 C:13 16.89 -9.96 C:3 10.82 -13.46 C:5 13.24 -13.46 31 1 -2 32 2 -1 33 3 -2 27 4 -1 29 5 -1 30 6 -1 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 26 1 28 12 -2 37 13 -2 14 15 1 14 29 1 15 30 1 16 18 1 16 30 1 17 21 1 17 31 1 18 35 1 19 20 1 19 34 1 20 36 1 21 38 1 22 25 1 38 22 -1 23 28 1 23 33 1 24 29 1 24 32 1 37 25 -1 29 26 -2 27 37 1 27 38 1 28 37 1 30 32 1 31 34 1 31 35 1 32 36 1 33 34 1 33 38 1 35 36 1', '38 43 H 15.69 -11.05 H 18.10 -10.37 H 13.24 -11.05 C 12.04 -15.58 C 18.45 -6.02 C 19.31 -8.55 C 14.47 -12.77 C 16.93 -12.77 C 16.89 -8.55 O 19.54 -4.72 O 21.48 -6.07 O 9.64 -11.37 O 9.60 -14.15 C 20.53 -7.84 C 20.53 -9.26 C 19.31 -11.36 C 15.69 -13.46 C 18.10 -12.06 C 14.47 -9.96 C 15.69 -9.26 C 14.47 -14.17 C 13.24 -14.88 C 12.04 -11.36 C 18.10 -7.84 O 10.82 -14.84 C 20.11 -5.97 C 12.04 -14.17 C 10.82 -12.06 C 19.31 -7.15 C 19.31 -9.96 C 15.69 -12.06 C 18.10 -9.26 C 13.24 -12.06 C 14.47 -11.36 C 16.89 -11.36 C 16.89 -9.96 C 10.82 -13.46 C 13.24 -13.46 31 1 -2 32 2 -1 33 3 -2 27 4 -1 29 5 -1 30 6 -1 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 26 1 28 12 -2 37 13 -2 14 15 1 14 29 1 15 30 1 16 18 1 16 30 1 17 21 1 17 31 1 18 35 1 19 20 1 19 34 1 20 36 1 21 38 1 22 25 1 38 22 -1 23 28 1 23 33 1 24 29 1 24 32 1 37 25 -1 29 26 -2 27 37 1 27 38 1 28 37 1 30 32 1 31 34 1 31 35 1 32 36 1 33 34 1 33 38 1 35 36 1', '38 43 H 15.69 -11.05 H 18.10 -10.37 H 13.24 -11.05 C:8 12.04 -15.58 C:32 18.45 -6.02 C:32 19.31 -8.55 C:17 14.47 -12.77 C:17 16.93 -12.77 C:18 16.89 -8.55 O 19.54 -4.72 O 21.48 -6.07 O 9.64 -11.37 O 9.60 -14.15 C:31 20.53 -7.84 C:37 20.53 -9.26 C:37 19.31 -11.36 C:20 15.69 -13.46 C:30 18.10 -12.06 C:35 14.47 -9.96 C:30 15.69 -9.26 C:34 14.47 -14.17 C:72 13.24 -14.88 C:29 12.04 -11.36 C:31 18.10 -7.84 O 10.82 -14.84 C:181 20.11 -5.97 C:47 12.04 -14.17 C:74 10.82 -12.06 C:41 19.31 -7.15 C:31 19.31 -9.96 C:50 15.69 -12.06 C:45 18.10 -9.26 C:53 13.24 -12.06 C:38 14.47 -11.36 C:39 16.89 -11.36 C:40 16.89 -9.96 C:108 10.82 -13.46 C:48 13.24 -13.46 31 1 -2 32 2 -1 33 3 -2 27 4 -1 29 5 -1 30 6 -1 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 26 1 28 12 -2 37 13 -2 14 15 1 14 29 1 15 30 1 16 18 1 16 30 1 17 21 1 17 31 1 18 35 1 19 20 1 19 34 1 20 36 1 21 38 1 22 25 1 38 22 -1 23 28 1 23 33 1 24 29 1 24 32 1 37 25 -1 29 26 -2 27 37 1 27 38 1 28 37 1 30 32 1 31 34 1 31 35 1 32 36 1 33 34 1 33 38 1 35 36 1', 'C30H48O5', 488.342, 'P', 'ph_53_805_9', 545, '', '', '1', 1, NULL, NULL),
(2154, '', '24-hydroxy-3-oxo-olean-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]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]([CH3:23])([CH2:24]O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)O)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CCC(=O)[C@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:41]12[CH2:46][C@@:31]([CH3:33])([CH3:24])[CH2:34][CH2:32][C@:47]1([C:183](=O)O)[CH2:24][CH2:28][C@:42]5([CH3:26])[C:144]2=[CH:122][CH2:23][C@:47]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:34][C:221](=O)[C@:51]([CH3:22])([CH2:66]O)[C@:56]3([H])[CH2:19][CH2:32][C@:39]45[CH3:17]', '37 41 H 18.06 -10.35 H 14.39 -12.19 H 13.09 -14.42 C:29 20.12 -5.76 C:30 18.49 -5.75 C:23 12.58 -15.29 C:27 16.86 -12.63 C:25 13.09 -10.48 C:26 15.61 -10.48 O 20.52 -11.86 O 9.48 -14.10 O 11.72 -16.50 O 21.70 -9.74 C:12 15.60 -9.08 C:24 11.08 -15.25 C:11 14.36 -9.77 C:2 10.65 -11.90 C:21 20.53 -7.65 C:1 11.86 -11.18 C:6 14.36 -14.05 C:15 18.06 -11.90 C:7 15.60 -13.35 C:22 20.53 -9.08 C:16 19.29 -11.18 C:19 18.06 -7.65 C:28 20.51 -10.46 C:3 10.65 -13.35 C:13 16.84 -9.77 C:20 19.29 -6.92 C:18 18.06 -9.08 C:9 14.36 -11.18 C:5 13.09 -13.35 C:4 11.86 -14.05 C:14 16.84 -11.18 C:10 13.09 -11.90 C:8 15.60 -11.90 C:17 19.29 -9.77 30 1 -1 31 2 -2 32 3 -2 29 4 -2 29 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 33 15 -1 16 31 1 17 19 1 17 27 1 18 23 1 18 29 1 19 35 1 20 22 1 20 32 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 29 1 25 30 1 37 26 -1 27 33 1 28 30 1 28 34 1 30 37 1 31 35 1 31 36 1 32 33 1 32 35 1 34 36 1', '37 41 H 18.06 -10.35 H 14.39 -12.19 H 13.09 -14.42 C 20.12 -5.76 C 18.49 -5.75 C 12.58 -15.29 C 16.86 -12.63 C 13.09 -10.48 C 15.61 -10.48 O 20.52 -11.86 O 9.48 -14.10 O 11.72 -16.50 O 21.70 -9.74 C 15.60 -9.08 C 11.08 -15.25 C 14.36 -9.77 C 10.65 -11.90 C 20.53 -7.65 C 11.86 -11.18 C 14.36 -14.05 C 18.06 -11.90 C 15.60 -13.35 C 20.53 -9.08 C 19.29 -11.18 C 18.06 -7.65 C 20.51 -10.46 C 10.65 -13.35 C 16.84 -9.77 C 19.29 -6.92 C 18.06 -9.08 C 14.36 -11.18 C 13.09 -13.35 C 11.86 -14.05 C 16.84 -11.18 C 13.09 -11.90 C 15.60 -11.90 C 19.29 -9.77 30 1 -1 31 2 -2 32 3 -2 29 4 -2 29 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 33 15 -1 16 31 1 17 19 1 17 27 1 18 23 1 18 29 1 19 35 1 20 22 1 20 32 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 29 1 25 30 1 37 26 -1 27 33 1 28 30 1 28 34 1 30 37 1 31 35 1 31 36 1 32 33 1 32 35 1 34 36 1', '37 41 H 18.06 -10.35 H 14.39 -12.19 H 13.09 -14.42 C:33 20.12 -5.76 C:24 18.49 -5.75 C:22 12.58 -15.29 C:26 16.86 -12.63 C:16 13.09 -10.48 C:17 15.61 -10.48 O 20.52 -11.86 O 9.48 -14.10 O 11.72 -16.50 O 21.70 -9.74 C:122 15.60 -9.08 C:66 11.08 -15.25 C:23 14.36 -9.77 C:34 10.65 -11.90 C:34 20.53 -7.65 C:39 11.86 -11.18 C:19 14.36 -14.05 C:28 18.06 -11.90 C:32 15.60 -13.35 C:32 20.53 -9.08 C:24 19.29 -11.18 C:46 18.06 -7.65 C:183 20.51 -10.46 C:221 10.65 -13.35 C:144 16.84 -9.77 C:31 19.29 -6.92 C:41 18.06 -9.08 C:47 14.36 -11.18 C:56 13.09 -13.35 C:51 11.86 -14.05 C:42 16.84 -11.18 C:37 13.09 -11.90 C:39 15.60 -11.90 C:47 19.29 -9.77 30 1 -1 31 2 -2 32 3 -2 29 4 -2 29 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 10 26 2 11 27 2 12 15 1 13 26 1 14 16 1 14 28 2 33 15 -1 16 31 1 17 19 1 17 27 1 18 23 1 18 29 1 19 35 1 20 22 1 20 32 1 21 24 1 21 34 1 22 36 1 23 37 1 24 37 1 25 29 1 25 30 1 37 26 -1 27 33 1 28 30 1 28 34 1 30 37 1 31 35 1 31 36 1 32 33 1 32 35 1 34 36 1', 'C30H46O4', 470.342, 'C', 'ph_53_805_16', 545, '', '', '1', 1, NULL, NULL),
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