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
(5236, '', '13,16b-Dihydroxystemodan-2-one', 'Terpenoids', 'Diterpenoids', 'Stemodanes', '[H][C@@:8]23[CH2:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][C:2](=O)[CH2:1][C@:10]1([CH3:20])[C@@:9]24[CH2:11][CH2:12][C@:13]([CH3:17])(O)[C@@:14]([H])([CH2:15]3)[C@@H:16]4O', '[H][C@@]23CC[C@@]1([H])[C@@](C)(C)CC(=O)C[C@]1(C)[C@@]24CC[C@](C)(O)[C@@]([H])(C3)[C@@H]4O', '[H][C@@:37]23[CH2:37][CH2:22][C@@:49]1([H])[C@@:39]([CH3:35])([CH3:25])[CH2:56][C:215](=O)[CH2:51][C@:44]1([CH3:20])[C@@:53]24[CH2:29][CH2:32][C@:75]([CH3:29])(O)[C@@:46]([H])([CH2:37]3)[C@@H:80]4O', '26 29 H 18.06 -10.79 H 19.27 -8.89 H 15.57 -14.26 C:18 15.04 -15.20 C:19 13.62 -15.20 C:17 17.37 -7.07 C:20 15.57 -10.37 O 11.91 -11.09 O 15.25 -8.77 O 18.71 -7.57 C:12 16.35 -8.70 C:7 18.06 -13.25 C:6 16.82 -13.96 C:11 15.89 -10.00 C:3 13.10 -13.25 C:1 14.33 -11.09 C:15 19.11 -10.86 C:2 13.10 -11.80 C:16 17.12 -9.69 C:4 14.33 -13.96 C:13 17.59 -8.48 C:8 18.06 -11.80 C:14 18.53 -9.55 C:5 15.57 -13.25 C:10 15.57 -11.80 C:9 16.82 -11.09 22 1 -1 23 2 -2 24 3 -2 20 4 -2 20 5 -1 21 6 -1 25 7 -1 8 18 2 19 9 -1 21 10 -2 11 14 1 11 21 1 12 13 1 12 22 1 13 24 1 26 14 -1 15 18 1 15 20 1 16 18 1 16 25 1 17 22 1 17 23 1 19 23 1 19 26 1 20 24 1 21 23 1 22 26 1 24 25 1 25 26 1', '26 29 H 18.06 -10.79 H 19.27 -8.89 H 15.57 -14.26 C 15.04 -15.20 C 13.62 -15.20 C 17.37 -7.07 C 15.57 -10.37 O 11.91 -11.09 O 15.25 -8.77 O 18.71 -7.57 C 16.35 -8.70 C 18.06 -13.25 C 16.82 -13.96 C 15.89 -10.00 C 13.10 -13.25 C 14.33 -11.09 C 19.11 -10.86 C 13.10 -11.80 C 17.12 -9.69 C 14.33 -13.96 C 17.59 -8.48 C 18.06 -11.80 C 18.53 -9.55 C 15.57 -13.25 C 15.57 -11.80 C 16.82 -11.09 22 1 -1 23 2 -2 24 3 -2 20 4 -2 20 5 -1 21 6 -1 25 7 -1 8 18 2 19 9 -1 21 10 -2 11 14 1 11 21 1 12 13 1 12 22 1 13 24 1 26 14 -1 15 18 1 15 20 1 16 18 1 16 25 1 17 22 1 17 23 1 19 23 1 19 26 1 20 24 1 21 23 1 22 26 1 24 25 1 25 26 1', '26 29 H 18.06 -10.79 H 19.27 -8.89 H 15.57 -14.26 C:35 15.04 -15.20 C:25 13.62 -15.20 C:29 17.37 -7.07 C:20 15.57 -10.37 O 11.91 -11.09 O 15.25 -8.77 O 18.71 -7.57 C:32 16.35 -8.70 C:37 18.06 -13.25 C:22 16.82 -13.96 C:29 15.89 -10.00 C:56 13.10 -13.25 C:51 14.33 -11.09 C:37 19.11 -10.86 C:215 13.10 -11.80 C:80 17.12 -9.69 C:39 14.33 -13.96 C:75 17.59 -8.48 C:37 18.06 -11.80 C:46 18.53 -9.55 C:49 15.57 -13.25 C:44 15.57 -11.80 C:53 16.82 -11.09 22 1 -1 23 2 -2 24 3 -2 20 4 -2 20 5 -1 21 6 -1 25 7 -1 8 18 2 19 9 -1 21 10 -2 11 14 1 11 21 1 12 13 1 12 22 1 13 24 1 26 14 -1 15 18 1 15 20 1 16 18 1 16 25 1 17 22 1 17 23 1 19 23 1 19 26 1 20 24 1 21 23 1 22 26 1 24 25 1 25 26 1', 'C20H32O3', 320.236, 'C', 'ph59_57_7', 361, '', '', '1', 1, NULL, NULL),
(5237, 'Stemarin', '', 'Terpenoids', 'Diterpenoids', 'Stemaranes', '[H][C@@:12]14[CH2:17][CH2:16][C@@:9]3([CH2:11]1)[C@@:8]([H])([CH2:7][CH2:6][C@@:5]2([H])[C@:4]([CH3:18])([CH2:19]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20])[CH2:14][C@@:13]4([CH3:15])O', '[H][C@@]14CC[C@@]3(C1)[C@@]([H])(CC[C@@]2([H])[C@](C)(CO)CCC[C@@]23C)C[C@@]4(C)O', '[H][C@@:48]14[CH2:27][CH2:27][C@@:52]3([CH2:29]1)[C@@:39]([H])([CH2:31][CH2:22][C@@:41]2([H])[C@:38]([CH3:18])([CH2:71]O)[CH2:35][CH2:18][CH2:32][C@@:39]23[CH3:17])[CH2:40][C@@:74]4([CH3:30])O', '25 28 H 17.32 -7.54 H 17.31 -10.39 H 14.84 -13.93 C:15 18.91 -8.00 C:18 12.56 -14.60 C:20 14.82 -10.08 O 14.14 -16.04 O 19.89 -9.72 C:2 12.36 -11.50 C:19 14.55 -14.70 C:3 12.36 -12.91 C:7 17.31 -12.91 C:17 15.98 -8.13 C:1 13.56 -10.80 C:6 16.07 -13.63 C:16 15.08 -9.56 C:14 18.54 -10.80 C:11 16.07 -9.35 C:12 17.31 -8.62 C:8 17.31 -11.50 C:13 18.54 -9.35 C:4 13.56 -13.63 C:5 14.82 -12.91 C:10 14.82 -11.50 C:9 16.07 -10.80 19 1 -2 20 2 -1 23 3 -2 21 4 -1 22 5 -1 24 6 -1 7 10 1 21 8 -2 9 11 1 9 14 1 22 10 -2 11 22 1 12 15 1 12 20 1 13 16 1 13 19 1 14 24 1 15 23 1 25 16 -1 17 20 1 17 21 1 18 19 1 18 25 1 19 21 1 20 25 1 22 23 1 23 24 1 24 25 1', '25 28 H 17.32 -7.54 H 17.31 -10.39 H 14.84 -13.93 C 18.91 -8.00 C 12.56 -14.60 C 14.82 -10.08 O 14.14 -16.04 O 19.89 -9.72 C 12.36 -11.50 C 14.55 -14.70 C 12.36 -12.91 C 17.31 -12.91 C 15.98 -8.13 C 13.56 -10.80 C 16.07 -13.63 C 15.08 -9.56 C 18.54 -10.80 C 16.07 -9.35 C 17.31 -8.62 C 17.31 -11.50 C 18.54 -9.35 C 13.56 -13.63 C 14.82 -12.91 C 14.82 -11.50 C 16.07 -10.80 19 1 -2 20 2 -1 23 3 -2 21 4 -1 22 5 -1 24 6 -1 7 10 1 21 8 -2 9 11 1 9 14 1 22 10 -2 11 22 1 12 15 1 12 20 1 13 16 1 13 19 1 14 24 1 15 23 1 25 16 -1 17 20 1 17 21 1 18 19 1 18 25 1 19 21 1 20 25 1 22 23 1 23 24 1 24 25 1', '25 28 H 17.32 -7.54 H 17.31 -10.39 H 14.84 -13.93 C:30 18.91 -8.00 C:18 12.56 -14.60 C:17 14.82 -10.08 O 14.14 -16.04 O 19.89 -9.72 C:18 12.36 -11.50 C:71 14.55 -14.70 C:35 12.36 -12.91 C:31 17.31 -12.91 C:27 15.98 -8.13 C:32 13.56 -10.80 C:22 16.07 -13.63 C:27 15.08 -9.56 C:40 18.54 -10.80 C:29 16.07 -9.35 C:48 17.31 -8.62 C:39 17.31 -11.50 C:74 18.54 -9.35 C:38 13.56 -13.63 C:41 14.82 -12.91 C:39 14.82 -11.50 C:52 16.07 -10.80 19 1 -2 20 2 -1 23 3 -2 21 4 -1 22 5 -1 24 6 -1 7 10 1 21 8 -2 9 11 1 9 14 1 22 10 -2 11 22 1 12 15 1 12 20 1 13 16 1 13 19 1 14 24 1 15 23 1 25 16 -1 17 20 1 17 21 1 18 19 1 18 25 1 19 21 1 20 25 1 22 23 1 23 24 1 24 25 1', 'C20H34O2', 306.237, 'C', 'ph59_57_8', 361, '', '', '1', 1, NULL, NULL),
(5238, '', '18-Hydroxystemaran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Stemaranes', '[H][C@@:12]14[CH2:17][CH2:16][C@@:9]2([CH2:11]1)[C@@:8]([H])([CH2:7][CH2:6][C@:5]3([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH2:18]O)[C:19](=O)O)[CH2:14][C@@:13]4([CH3:15])O', '[H][C@@]14CC[C@@]2(C1)[C@@]([H])(CC[C@]3([H])[C@]2(C)CCC[C@@]3(CO)C(=O)O)C[C@@]4(C)O', '[H][C@@:47]14[CH2:28][CH2:26][C@@:51]2([CH2:28]1)[C@@:39]([H])([CH2:30][CH2:25][C@:44]3([H])[C@:42]2([CH3:17])[CH2:30][CH2:18][CH2:37][C@@:47]3([CH2:62]O)[C:183](=O)O)[CH2:39][C@@:74]4([CH3:30])O', '27 30 H 17.33 -6.92 H 17.32 -9.77 H 14.85 -13.31 C:15 18.91 -7.38 C:20 14.83 -9.46 O 14.19 -15.43 O 11.21 -13.59 O 15.93 -13.81 O 19.89 -9.10 C:18 12.56 -13.98 C:2 12.36 -10.88 C:1 13.56 -10.18 C:7 17.32 -12.29 C:17 15.99 -7.51 C:6 16.08 -13.01 C:3 12.36 -12.29 C:16 15.09 -8.94 C:14 18.54 -10.18 C:11 16.08 -8.73 C:19 14.56 -14.08 C:13 18.54 -8.73 C:12 17.32 -8.00 C:8 17.32 -10.88 C:5 14.83 -12.29 C:10 14.83 -10.88 C:4 13.56 -13.01 C:9 16.08 -10.18 22 1 -2 23 2 -1 24 3 -2 21 4 -1 25 5 -1 6 20 2 7 10 1 8 20 1 21 9 -2 26 10 -1 11 12 1 11 16 1 12 25 1 13 15 1 13 23 1 14 17 1 14 22 1 15 24 1 16 26 1 27 17 -1 18 21 1 18 23 1 19 22 1 19 27 1 26 20 -2 21 22 1 23 27 1 24 25 1 24 26 1 25 27 1', '27 30 H 17.33 -6.92 H 17.32 -9.77 H 14.85 -13.31 C 18.91 -7.38 C 14.83 -9.46 O 14.19 -15.43 O 11.21 -13.59 O 15.93 -13.81 O 19.89 -9.10 C 12.56 -13.98 C 12.36 -10.88 C 13.56 -10.18 C 17.32 -12.29 C 15.99 -7.51 C 16.08 -13.01 C 12.36 -12.29 C 15.09 -8.94 C 18.54 -10.18 C 16.08 -8.73 C 14.56 -14.08 C 18.54 -8.73 C 17.32 -8.00 C 17.32 -10.88 C 14.83 -12.29 C 14.83 -10.88 C 13.56 -13.01 C 16.08 -10.18 22 1 -2 23 2 -1 24 3 -2 21 4 -1 25 5 -1 6 20 2 7 10 1 8 20 1 21 9 -2 26 10 -1 11 12 1 11 16 1 12 25 1 13 15 1 13 23 1 14 17 1 14 22 1 15 24 1 16 26 1 27 17 -1 18 21 1 18 23 1 19 22 1 19 27 1 26 20 -2 21 22 1 23 27 1 24 25 1 24 26 1 25 27 1', '27 30 H 17.33 -6.92 H 17.32 -9.77 H 14.85 -13.31 C:30 18.91 -7.38 C:17 14.83 -9.46 O 14.19 -15.43 O 11.21 -13.59 O 15.93 -13.81 O 19.89 -9.10 C:62 12.56 -13.98 C:18 12.36 -10.88 C:30 13.56 -10.18 C:30 17.32 -12.29 C:28 15.99 -7.51 C:25 16.08 -13.01 C:37 12.36 -12.29 C:26 15.09 -8.94 C:39 18.54 -10.18 C:28 16.08 -8.73 C:183 14.56 -14.08 C:74 18.54 -8.73 C:47 17.32 -8.00 C:39 17.32 -10.88 C:44 14.83 -12.29 C:42 14.83 -10.88 C:47 13.56 -13.01 C:51 16.08 -10.18 22 1 -2 23 2 -1 24 3 -2 21 4 -1 25 5 -1 6 20 2 7 10 1 8 20 1 21 9 -2 26 10 -1 11 12 1 11 16 1 12 25 1 13 15 1 13 23 1 14 17 1 14 22 1 15 24 1 16 26 1 27 17 -1 18 21 1 18 23 1 19 22 1 19 27 1 26 20 -2 21 22 1 23 27 1 24 25 1 24 26 1 25 27 1', 'C20H32O4', 336.235, 'C', 'ph59_57_9', 361, '', '', '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
(5254, '', '6a,13(S)-Dihydroxystemodan-2-one', 'Terpenoids', 'Diterpenoids', 'Stemodanes', '[H][C@@:14]34[CH2:15][C@:8]2([H])[CH2:7][C@H:6](O)[C@@:5]1([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][C:2](=O)[CH2:1][C@:10]1([CH3:20])[C@:9]2([CH2:11][CH2:12][C@:13]3([CH3:17])O)[CH2:16]4', '[H][C@@]34C[C@]2([H])C[C@H](O)[C@@]1([H])[C@](C)(C)CC(=O)C[C@]1(C)[C@]2(CC[C@]3(C)O)C4', '[H][C@@:46]34[CH2:38][C@:37]2([H])[CH2:46][C@H:69](O)[C@@:52]1([H])[C@:39]([CH3:25])([CH3:37])[CH2:57][C:212](=O)[CH2:51][C@:45]1([CH3:20])[C@:50]2([CH2:28][CH2:33][C@:72]3([CH3:28])O)[CH2:31]4', '26 29 H 19.31 -8.81 H 18.08 -10.73 H 15.57 -14.25 C:19 13.58 -15.20 C:18 15.03 -15.20 C:17 17.38 -6.96 C:20 15.57 -10.31 O 11.86 -11.05 O 16.84 -15.34 O 18.74 -7.47 C:12 16.17 -8.57 C:11 15.89 -9.93 C:3 13.06 -13.22 C:1 14.30 -11.04 C:7 18.08 -13.22 C:15 19.15 -10.80 C:16 17.13 -9.62 C:2 13.06 -11.76 C:6 16.83 -13.94 C:4 14.30 -13.94 C:13 17.61 -8.39 C:14 18.56 -9.47 C:8 18.08 -11.76 C:10 15.57 -11.76 C:5 15.57 -13.22 C:9 16.83 -11.04 22 1 -2 23 2 -1 25 3 -2 20 4 -1 20 5 -2 21 6 -1 24 7 -1 8 18 2 19 9 -2 21 10 -2 11 12 1 11 21 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 24 1 15 19 1 15 23 1 16 22 1 16 23 1 17 22 1 26 17 -2 19 25 1 20 25 1 21 22 1 23 26 1 24 25 1 24 26 1', '26 29 H 19.31 -8.81 H 18.08 -10.73 H 15.57 -14.25 C 13.58 -15.20 C 15.03 -15.20 C 17.38 -6.96 C 15.57 -10.31 O 11.86 -11.05 O 16.84 -15.34 O 18.74 -7.47 C 16.17 -8.57 C 15.89 -9.93 C 13.06 -13.22 C 14.30 -11.04 C 18.08 -13.22 C 19.15 -10.80 C 17.13 -9.62 C 13.06 -11.76 C 16.83 -13.94 C 14.30 -13.94 C 17.61 -8.39 C 18.56 -9.47 C 18.08 -11.76 C 15.57 -11.76 C 15.57 -13.22 C 16.83 -11.04 22 1 -2 23 2 -1 25 3 -2 20 4 -1 20 5 -2 21 6 -1 24 7 -1 8 18 2 19 9 -2 21 10 -2 11 12 1 11 21 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 24 1 15 19 1 15 23 1 16 22 1 16 23 1 17 22 1 26 17 -2 19 25 1 20 25 1 21 22 1 23 26 1 24 25 1 24 26 1', '26 29 H 19.31 -8.81 H 18.08 -10.73 H 15.57 -14.25 C:25 13.58 -15.20 C:37 15.03 -15.20 C:28 17.38 -6.96 C:20 15.57 -10.31 O 11.86 -11.05 O 16.84 -15.34 O 18.74 -7.47 C:33 16.17 -8.57 C:28 15.89 -9.93 C:57 13.06 -13.22 C:51 14.30 -11.04 C:46 18.08 -13.22 C:38 19.15 -10.80 C:31 17.13 -9.62 C:212 13.06 -11.76 C:69 16.83 -13.94 C:39 14.30 -13.94 C:72 17.61 -8.39 C:46 18.56 -9.47 C:37 18.08 -11.76 C:45 15.57 -11.76 C:52 15.57 -13.22 C:50 16.83 -11.04 22 1 -2 23 2 -1 25 3 -2 20 4 -1 20 5 -2 21 6 -1 24 7 -1 8 18 2 19 9 -2 21 10 -2 11 12 1 11 21 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 24 1 15 19 1 15 23 1 16 22 1 16 23 1 17 22 1 26 17 -2 19 25 1 20 25 1 21 22 1 23 26 1 24 25 1 24 26 1', 'C20H32O3', 320.236, 'C', 'ph65_701_19', 1464, '', '', '1', 1, NULL, NULL),
(5255, '', '2b,7b,13(S)-Trihydroxystemodane', 'Terpenoids', 'Diterpenoids', 'Stemodanes', '[H][C@@:14]34[CH2:15][C@:8]2([H])[C@@H:7](O)[CH2:6][C@@:5]1([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][C@@H:2](O)[CH2:1][C@:10]1([CH3:20])[C@:9]2([CH2:11][CH2:12][C@:13]3([CH3:17])O)[CH2:16]4', '[H][C@@]34C[C@]2([H])[C@@H](O)C[C@@]1([H])[C@](C)(C)C[C@@H](O)C[C@]1(C)[C@]2(CC[C@]3(C)O)C4', '[H][C@@:46]34[CH2:36][C@:46]2([H])[C@@H:79](O)[CH2:32][C@@:43]1([H])[C@:33]([CH3:25])([CH3:34])[CH2:46][C@@H:68](O)[CH2:42][C@:40]1([CH3:22])[C@:53]2([CH2:28][CH2:33][C@:72]3([CH3:28])O)[CH2:32]4', '26 29 H 19.30 -8.88 H 18.06 -10.81 H 15.56 -14.32 C:19 13.57 -15.27 C:18 15.02 -15.27 C:17 17.37 -7.03 C:20 15.56 -10.38 O 11.84 -11.13 O 19.28 -14.01 O 18.73 -7.54 C:12 16.16 -8.64 C:11 15.88 -10.00 C:3 13.04 -13.29 C:1 14.29 -11.11 C:6 16.82 -14.01 C:15 19.14 -10.87 C:16 17.12 -9.69 C:2 13.04 -11.83 C:7 18.06 -13.29 C:4 14.29 -14.01 C:14 18.55 -9.54 C:13 17.60 -8.45 C:8 18.06 -11.83 C:5 15.56 -13.29 C:10 15.56 -11.83 C:9 16.82 -11.11 21 1 -2 23 2 -1 24 3 -2 20 4 -1 20 5 -2 22 6 -1 25 7 -1 18 8 -1 19 9 -1 22 10 -2 11 12 1 11 22 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 25 1 15 19 1 15 24 1 16 21 1 16 23 1 17 21 1 17 26 1 19 23 1 20 24 1 21 22 1 23 26 1 24 25 1 25 26 1', '26 29 H 19.30 -8.88 H 18.06 -10.81 H 15.56 -14.32 C 13.57 -15.27 C 15.02 -15.27 C 17.37 -7.03 C 15.56 -10.38 O 11.84 -11.13 O 19.28 -14.01 O 18.73 -7.54 C 16.16 -8.64 C 15.88 -10.00 C 13.04 -13.29 C 14.29 -11.11 C 16.82 -14.01 C 19.14 -10.87 C 17.12 -9.69 C 13.04 -11.83 C 18.06 -13.29 C 14.29 -14.01 C 18.55 -9.54 C 17.60 -8.45 C 18.06 -11.83 C 15.56 -13.29 C 15.56 -11.83 C 16.82 -11.11 21 1 -2 23 2 -1 24 3 -2 20 4 -1 20 5 -2 22 6 -1 25 7 -1 18 8 -1 19 9 -1 22 10 -2 11 12 1 11 22 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 25 1 15 19 1 15 24 1 16 21 1 16 23 1 17 21 1 17 26 1 19 23 1 20 24 1 21 22 1 23 26 1 24 25 1 25 26 1', '26 29 H 19.30 -8.88 H 18.06 -10.81 H 15.56 -14.32 C:25 13.57 -15.27 C:34 15.02 -15.27 C:28 17.37 -7.03 C:22 15.56 -10.38 O 11.84 -11.13 O 19.28 -14.01 O 18.73 -7.54 C:33 16.16 -8.64 C:28 15.88 -10.00 C:46 13.04 -13.29 C:42 14.29 -11.11 C:32 16.82 -14.01 C:36 19.14 -10.87 C:32 17.12 -9.69 C:68 13.04 -11.83 C:79 18.06 -13.29 C:33 14.29 -14.01 C:46 18.55 -9.54 C:72 17.60 -8.45 C:46 18.06 -11.83 C:43 15.56 -13.29 C:40 15.56 -11.83 C:53 16.82 -11.11 21 1 -2 23 2 -1 24 3 -2 20 4 -1 20 5 -2 22 6 -1 25 7 -1 18 8 -1 19 9 -1 22 10 -2 11 12 1 11 22 1 26 12 -1 13 18 1 13 20 1 14 18 1 14 25 1 15 19 1 15 24 1 16 21 1 16 23 1 17 21 1 17 26 1 19 23 1 20 24 1 21 22 1 23 26 1 24 25 1 25 26 1', 'C20H34O3', 322.236, 'M', 'ph65_701_20', 1464, '', '', '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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(5274, '', '15(8->9)Abeo-8b(H)-7b,12b-dihydroxystachan-2-one', 'Terpenoids', 'Diterpenoids', 'Stachanes', '[H][C@:8]14[CH2:14][C@@:13]2([CH3:17])[CH2:16][CH2:15][C@:9]1([CH2:11][C@H:12]2O)[C@@:10]3([CH3:20])[CH2:1][C:2](=O)[CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]3([H])[CH2:6][C@@H:7]4O', '[H][C@]14C[C@@]2(C)CC[C@]1(C[C@H]2O)[C@@]3(C)CC(=O)C[C@](C)(C)[C@]3([H])C[C@@H]4O', '[H][C@:42]14[CH2:37][C@@:33]2([CH3:23])[CH2:25][CH2:27][C@:44]1([CH2:35][C@H:74]2O)[C@@:40]3([CH3:16])[CH2:49][C:212](=O)[CH2:56][C@:39]([CH3:34])([CH3:24])[C@:45]3([H])[CH2:32][C@@H:74]4O', '25 28 H 16.81 -10.16 H 14.26 -13.54 C:18 13.96 -14.34 C:19 11.91 -14.23 C:17 19.40 -7.91 C:20 14.23 -9.55 O 10.49 -10.35 O 16.81 -6.67 O 18.04 -13.15 C:16 17.37 -9.77 C:15 16.30 -9.37 C:3 11.71 -12.48 C:1 12.94 -10.30 C:6 15.54 -13.23 C:11 15.54 -8.84 C:14 18.08 -10.30 C:2 11.71 -11.04 C:12 16.81 -8.07 C:7 16.81 -12.48 C:4 12.94 -13.23 C:13 18.08 -8.84 C:8 16.81 -11.04 C:5 14.23 -12.48 C:10 14.23 -11.04 C:9 15.54 -10.30 22 1 -1 23 2 -2 20 3 -2 20 4 -1 21 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -1 10 11 1 10 21 1 25 11 -1 12 17 1 12 20 1 13 17 1 13 24 1 14 19 1 14 23 1 15 18 1 15 25 1 16 21 1 16 22 1 18 21 1 19 22 1 20 23 1 22 25 1 23 24 1 24 25 1', '25 28 H 16.81 -10.16 H 14.26 -13.54 C 13.96 -14.34 C 11.91 -14.23 C 19.40 -7.91 C 14.23 -9.55 O 10.49 -10.35 O 16.81 -6.67 O 18.04 -13.15 C 17.37 -9.77 C 16.30 -9.37 C 11.71 -12.48 C 12.94 -10.30 C 15.54 -13.23 C 15.54 -8.84 C 18.08 -10.30 C 11.71 -11.04 C 16.81 -8.07 C 16.81 -12.48 C 12.94 -13.23 C 18.08 -8.84 C 16.81 -11.04 C 14.23 -12.48 C 14.23 -11.04 C 15.54 -10.30 22 1 -1 23 2 -2 20 3 -2 20 4 -1 21 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -1 10 11 1 10 21 1 25 11 -1 12 17 1 12 20 1 13 17 1 13 24 1 14 19 1 14 23 1 15 18 1 15 25 1 16 21 1 16 22 1 18 21 1 19 22 1 20 23 1 22 25 1 23 24 1 24 25 1', '25 28 H 16.81 -10.16 H 14.26 -13.54 C:34 13.96 -14.34 C:24 11.91 -14.23 C:23 19.40 -7.91 C:16 14.23 -9.55 O 10.49 -10.35 O 16.81 -6.67 O 18.04 -13.15 C:25 17.37 -9.77 C:27 16.30 -9.37 C:56 11.71 -12.48 C:49 12.94 -10.30 C:32 15.54 -13.23 C:35 15.54 -8.84 C:37 18.08 -10.30 C:212 11.71 -11.04 C:74 16.81 -8.07 C:74 16.81 -12.48 C:39 12.94 -13.23 C:33 18.08 -8.84 C:42 16.81 -11.04 C:45 14.23 -12.48 C:40 14.23 -11.04 C:44 15.54 -10.30 22 1 -1 23 2 -2 20 3 -2 20 4 -1 21 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -1 10 11 1 10 21 1 25 11 -1 12 17 1 12 20 1 13 17 1 13 24 1 14 19 1 14 23 1 15 18 1 15 25 1 16 21 1 16 22 1 18 21 1 19 22 1 20 23 1 22 25 1 23 24 1 24 25 1', 'C20H32O3', 320.228, 'C', 'ph66_901_20', 1465, '', '', '1', 1, NULL, NULL),
(5275, '', '15(8->9)Abeo-8b(H)-6a,12b,14b-trihydroxystachan-2-one', 'Terpenoids', 'Diterpenoids', 'Stachanes', '[H][C@@:8]24[CH2:7][C@H:6](O)[C@@:5]1([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][C:2](=O)[CH2:1][C@:10]1([CH3:20])[C@@:9]23[CH2:15][CH2:16][C@@:13]([CH3:17])([C@H:12](O)[CH2:11]3)[C@H:14]4O', '[H][C@@]24C[C@H](O)[C@@]1([H])[C@@](C)(C)CC(=O)C[C@]1(C)[C@@]23CC[C@@](C)([C@H](O)C3)[C@H]4O', '[H][C@@:44]24[CH2:42][C@H:69](O)[C@@:52]1([H])[C@@:39]([CH3:38])([CH3:25])[CH2:57][C:215](=O)[CH2:49][C@:39]1([CH3:17])[C@@:45]23[CH2:26][CH2:20][C@@:39]([CH3:19])([C@H:71](O)[CH2:34]3)[C@H:80]4O', '26 29 H 17.43 -10.72 H 14.88 -14.10 C:18 14.58 -14.90 C:19 12.53 -14.79 C:17 20.02 -8.47 C:20 14.85 -10.11 O 11.11 -10.91 O 17.43 -7.23 O 16.20 -15.19 O 19.92 -11.55 C:16 17.99 -10.33 C:15 16.92 -9.93 C:3 12.33 -13.04 C:1 13.56 -10.86 C:7 17.43 -13.04 C:11 16.16 -9.40 C:2 12.33 -11.60 C:12 17.43 -8.63 C:6 16.16 -13.79 C:14 18.70 -10.86 C:4 13.56 -13.79 C:8 17.43 -11.60 C:13 18.70 -9.40 C:10 14.85 -11.60 C:5 14.85 -13.04 C:9 16.16 -10.86 22 1 -1 25 2 -2 21 3 -2 21 4 -1 23 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -2 20 10 -1 11 12 1 11 23 1 26 12 -1 13 17 1 13 21 1 14 17 1 14 24 1 15 19 1 15 22 1 16 18 1 16 26 1 18 23 1 19 25 1 20 22 1 20 23 1 21 25 1 22 26 1 24 25 1 24 26 1', '26 29 H 17.43 -10.72 H 14.88 -14.10 C 14.58 -14.90 C 12.53 -14.79 C 20.02 -8.47 C 14.85 -10.11 O 11.11 -10.91 O 17.43 -7.23 O 16.20 -15.19 O 19.92 -11.55 C 17.99 -10.33 C 16.92 -9.93 C 12.33 -13.04 C 13.56 -10.86 C 17.43 -13.04 C 16.16 -9.40 C 12.33 -11.60 C 17.43 -8.63 C 16.16 -13.79 C 18.70 -10.86 C 13.56 -13.79 C 17.43 -11.60 C 18.70 -9.40 C 14.85 -11.60 C 14.85 -13.04 C 16.16 -10.86 22 1 -1 25 2 -2 21 3 -2 21 4 -1 23 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -2 20 10 -1 11 12 1 11 23 1 26 12 -1 13 17 1 13 21 1 14 17 1 14 24 1 15 19 1 15 22 1 16 18 1 16 26 1 18 23 1 19 25 1 20 22 1 20 23 1 21 25 1 22 26 1 24 25 1 24 26 1', '26 29 H 17.43 -10.72 H 14.88 -14.10 C:38 14.58 -14.90 C:25 12.53 -14.79 C:19 20.02 -8.47 C:17 14.85 -10.11 O 11.11 -10.91 O 17.43 -7.23 O 16.20 -15.19 O 19.92 -11.55 C:20 17.99 -10.33 C:26 16.92 -9.93 C:57 12.33 -13.04 C:49 13.56 -10.86 C:42 17.43 -13.04 C:34 16.16 -9.40 C:215 12.33 -11.60 C:71 17.43 -8.63 C:69 16.16 -13.79 C:80 18.70 -10.86 C:39 13.56 -13.79 C:44 17.43 -11.60 C:39 18.70 -9.40 C:39 14.85 -11.60 C:52 14.85 -13.04 C:45 16.16 -10.86 22 1 -1 25 2 -2 21 3 -2 21 4 -1 23 5 -2 24 6 -1 7 17 2 18 8 -1 19 9 -2 20 10 -1 11 12 1 11 23 1 26 12 -1 13 17 1 13 21 1 14 17 1 14 24 1 15 19 1 15 22 1 16 18 1 16 26 1 18 23 1 19 25 1 20 22 1 20 23 1 21 25 1 22 26 1 24 25 1 24 26 1', 'C20H32O4', 336.227, 'C', 'ph66_901_21', 1465, '', '', '1', 1, NULL, NULL),
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(5286, '', '3b,25-Epoxy-3a,21a-dihydroxy-22b-(3-methylbut-2-en-1-oyloxy)olean-12-ene-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[C@H:21](O)[C@@H:22](O[C:22001](=O)[CH:22002]=[C:22003]([CH3:22301])[CH3:22004])[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@@:3]6(O)[CH2:2][CH2:1][C@@:10]45[CH2:25]O6', '[H][C@@]12C[C@@](C)(C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[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@@]6(O)CC[C@@]45CO6', '[H][C@@:41]12[CH2:42][C@@:35]([CH3:29])([CH3:25])[C@H:74](O)[C@@H:79](O[C:166](=O)[CH:117]=[C:157]([CH3:20])[CH3:27])[C@:52]1([C:177](=O)O)[CH2:26][CH2:29][C@:43]3([CH3:25])[C:144]2=[CH:123][CH2:24][C@@:43]5([H])[C@@:39]3([CH3:18])[CH2:32][CH2:20][C@@:51]4([H])[C@@:41]([CH3:28])([CH3:19])[C@@:98]6(O)[CH2:31][CH2:36][C@@:35]45[CH2:68]O6', '45 50 H 15.51 -10.99 H 10.63 -14.98 H 11.90 -12.80 C:22301 22.78 -11.20 C:22004 24.00 -9.11 C:29 17.53 -6.48 C:30 15.93 -6.47 C:23 10.13 -15.84 C:24 8.67 -15.79 C:27 14.33 -13.23 C:26 13.10 -11.11 O 20.36 -11.17 O 18.01 -12.46 O 19.09 -10.39 O 19.14 -7.63 O 7.09 -14.65 C:12 13.09 -9.74 C:22002 21.58 -9.08 C:11 11.87 -10.42 C:15 15.51 -12.52 C:6 11.87 -14.62 C:7 13.09 -13.93 C:2 8.25 -12.52 C:1 9.43 -11.80 C:16 16.72 -11.80 C:25 10.63 -11.11 C:19 15.51 -8.33 O 9.42 -13.22 O 19.15 -9.05 C:22003 22.78 -9.80 C:22001 20.36 -9.77 C:28 18.01 -11.09 C:13 14.31 -10.42 C:21 17.93 -8.33 C:22 17.93 -9.74 C:20 16.72 -7.62 C:4 9.43 -14.62 C:18 15.51 -9.74 C:14 14.31 -11.80 C:5 10.63 -13.93 C:9 11.87 -11.80 C:8 13.09 -12.52 C:3 8.25 -13.93 C:10 10.63 -12.52 C:17 16.72 -10.42 38 1 -1 40 2 -2 41 3 -2 4 30 1 5 30 1 36 6 -2 36 7 -1 37 8 -2 37 9 -1 39 10 -2 42 11 -1 12 31 2 13 32 2 14 32 1 34 15 -2 43 16 -2 17 19 1 17 33 2 18 30 2 18 31 1 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 31 1 35 29 -1 45 32 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', '45 50 H 15.51 -10.99 H 10.63 -14.98 H 11.90 -12.80 C 22.78 -11.20 C 24.00 -9.11 C 17.53 -6.48 C 15.93 -6.47 C 10.13 -15.84 C 8.67 -15.79 C 14.33 -13.23 C 13.10 -11.11 O 20.36 -11.17 O 18.01 -12.46 O 19.09 -10.39 O 19.14 -7.63 O 7.09 -14.65 C 13.09 -9.74 C 21.58 -9.08 C 11.87 -10.42 C 15.51 -12.52 C 11.87 -14.62 C 13.09 -13.93 C 8.25 -12.52 C 9.43 -11.80 C 16.72 -11.80 C 10.63 -11.11 C 15.51 -8.33 O 9.42 -13.22 O 19.15 -9.05 C 22.78 -9.80 C 20.36 -9.77 C 18.01 -11.09 C 14.31 -10.42 C 17.93 -8.33 C 17.93 -9.74 C 16.72 -7.62 C 9.43 -14.62 C 15.51 -9.74 C 14.31 -11.80 C 10.63 -13.93 C 11.87 -11.80 C 13.09 -12.52 C 8.25 -13.93 C 10.63 -12.52 C 16.72 -10.42 38 1 -1 40 2 -2 41 3 -2 4 30 1 5 30 1 36 6 -2 36 7 -1 37 8 -2 37 9 -1 39 10 -2 42 11 -1 12 31 2 13 32 2 14 32 1 34 15 -2 43 16 -2 17 19 1 17 33 2 18 30 2 18 31 1 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 31 1 35 29 -1 45 32 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', '45 50 H 15.51 -10.99 H 10.63 -14.98 H 11.90 -12.80 C:20 22.78 -11.20 C:27 24.00 -9.11 C:29 17.53 -6.48 C:25 15.93 -6.47 C:28 10.13 -15.84 C:19 8.67 -15.79 C:25 14.33 -13.23 C:18 13.10 -11.11 O 20.36 -11.17 O 18.01 -12.46 O 19.09 -10.39 O 19.14 -7.63 O 7.09 -14.65 C:123 13.09 -9.74 C:117 21.58 -9.08 C:24 11.87 -10.42 C:29 15.51 -12.52 C:20 11.87 -14.62 C:32 13.09 -13.93 C:31 8.25 -12.52 C:36 9.43 -11.80 C:26 16.72 -11.80 C:68 10.63 -11.11 C:42 15.51 -8.33 O 9.42 -13.22 O 19.15 -9.05 C:157 22.78 -9.80 C:166 20.36 -9.77 C:177 18.01 -11.09 C:144 14.31 -10.42 C:74 17.93 -8.33 C:79 17.93 -9.74 C:35 16.72 -7.62 C:41 9.43 -14.62 C:41 15.51 -9.74 C:43 14.31 -11.80 C:51 10.63 -13.93 C:43 11.87 -11.80 C:39 13.09 -12.52 C:98 8.25 -13.93 C:35 10.63 -12.52 C:52 16.72 -10.42 38 1 -1 40 2 -2 41 3 -2 4 30 1 5 30 1 36 6 -2 36 7 -1 37 8 -2 37 9 -1 39 10 -2 42 11 -1 12 31 2 13 32 2 14 32 1 34 15 -2 43 16 -2 17 19 1 17 33 2 18 30 2 18 31 1 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 31 1 35 29 -1 45 32 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', 'C35H52O7', 584.394, 'P', 'np01_37_1', 2384, '', '', '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
(5287, '', '3b,25-Epoxy-3a,21a-dihydroxy-22b-angeloyloxyolean-12-ene-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[C@H:21](O)[C@@H:22](O[C:22001](=O)[C:22002]([CH3:22201])=[CH:22003][CH3:22004])[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]([CH3:24])([CH3:23])[C@@:3]6(O)[CH2:2][CH2:1][C@@:10]45[CH2:25]O6', '[H][C@@]12C[C@](C)(C)[C@H](O)[C@@H](OC(=O)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@@]6(O)CC[C@@]45CO6', '[H][C@@:41]12[CH2:42][C@:35]([CH3:25])([CH3:29])[C@H:74](O)[C@@H:80](O[C:167](=O)[C:129]([CH3:16])=[CH:138][CH3:21])[C@:51]1([C:177](=O)O)[CH2:26][CH2:29][C@:43]3([CH3:25])[C:144]2=[CH:123][CH2:24][C@@:43]5([H])[C@@:39]3([CH3:18])[CH2:32][CH2:20][C@@:51]4([H])[C@:41]([CH3:19])([CH3:28])[C@@:98]6(O)[CH2:31][CH2:36][C@@:35]45[CH2:68]O6', '45 50 H 16.13 -10.99 H 11.23 -14.97 H 12.51 -12.80 C:22004 23.39 -11.18 C:22201 22.20 -7.67 C:30 16.55 -6.47 C:29 18.15 -6.48 C:24 9.26 -15.78 C:23 10.72 -15.83 C:27 14.94 -13.23 C:26 13.71 -11.11 O 18.63 -12.46 O 20.95 -11.16 O 19.71 -10.39 O 19.76 -7.63 O 7.68 -14.64 C:22003 23.40 -9.78 C:12 13.70 -9.74 C:11 12.48 -10.42 C:15 16.13 -12.52 C:6 12.48 -14.61 C:7 13.70 -13.93 C:2 8.84 -12.52 C:1 10.02 -11.80 C:16 17.34 -11.80 C:25 11.23 -11.11 C:19 16.13 -8.33 O 10.01 -13.22 O 19.77 -9.05 C:22002 22.19 -9.07 C:28 18.63 -11.09 C:22001 20.97 -9.76 C:13 14.92 -10.42 C:21 18.55 -8.33 C:22 18.55 -9.74 C:20 17.34 -7.62 C:4 10.02 -14.61 C:18 16.13 -9.74 C:14 14.92 -11.80 C:5 11.23 -13.93 C:9 12.48 -11.80 C:8 13.70 -12.52 C:3 8.84 -13.93 C:10 11.23 -12.52 C:17 17.34 -10.42 38 1 -1 40 2 -2 41 3 -2 4 17 1 5 30 1 36 6 -1 36 7 -2 37 8 -1 37 9 -2 39 10 -2 42 11 -1 12 31 2 13 32 2 14 31 1 34 15 -2 43 16 -2 17 30 2 18 19 1 18 33 2 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 32 1 35 29 -1 30 32 1 45 31 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', '45 50 H 16.13 -10.99 H 11.23 -14.97 H 12.51 -12.80 C 23.39 -11.18 C 22.20 -7.67 C 16.55 -6.47 C 18.15 -6.48 C 9.26 -15.78 C 10.72 -15.83 C 14.94 -13.23 C 13.71 -11.11 O 18.63 -12.46 O 20.95 -11.16 O 19.71 -10.39 O 19.76 -7.63 O 7.68 -14.64 C 23.40 -9.78 C 13.70 -9.74 C 12.48 -10.42 C 16.13 -12.52 C 12.48 -14.61 C 13.70 -13.93 C 8.84 -12.52 C 10.02 -11.80 C 17.34 -11.80 C 11.23 -11.11 C 16.13 -8.33 O 10.01 -13.22 O 19.77 -9.05 C 22.19 -9.07 C 18.63 -11.09 C 20.97 -9.76 C 14.92 -10.42 C 18.55 -8.33 C 18.55 -9.74 C 17.34 -7.62 C 10.02 -14.61 C 16.13 -9.74 C 14.92 -11.80 C 11.23 -13.93 C 12.48 -11.80 C 13.70 -12.52 C 8.84 -13.93 C 11.23 -12.52 C 17.34 -10.42 38 1 -1 40 2 -2 41 3 -2 4 17 1 5 30 1 36 6 -1 36 7 -2 37 8 -1 37 9 -2 39 10 -2 42 11 -1 12 31 2 13 32 2 14 31 1 34 15 -2 43 16 -2 17 30 2 18 19 1 18 33 2 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 32 1 35 29 -1 30 32 1 45 31 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', '45 50 H 16.13 -10.99 H 11.23 -14.97 H 12.51 -12.80 C:21 23.39 -11.18 C:16 22.20 -7.67 C:25 16.55 -6.47 C:29 18.15 -6.48 C:19 9.26 -15.78 C:28 10.72 -15.83 C:25 14.94 -13.23 C:18 13.71 -11.11 O 18.63 -12.46 O 20.95 -11.16 O 19.71 -10.39 O 19.76 -7.63 O 7.68 -14.64 C:138 23.40 -9.78 C:123 13.70 -9.74 C:24 12.48 -10.42 C:29 16.13 -12.52 C:20 12.48 -14.61 C:32 13.70 -13.93 C:31 8.84 -12.52 C:36 10.02 -11.80 C:26 17.34 -11.80 C:68 11.23 -11.11 C:42 16.13 -8.33 O 10.01 -13.22 O 19.77 -9.05 C:129 22.19 -9.07 C:177 18.63 -11.09 C:167 20.97 -9.76 C:144 14.92 -10.42 C:74 18.55 -8.33 C:80 18.55 -9.74 C:35 17.34 -7.62 C:41 10.02 -14.61 C:41 16.13 -9.74 C:43 14.92 -11.80 C:51 11.23 -13.93 C:43 12.48 -11.80 C:39 13.70 -12.52 C:98 8.84 -13.93 C:35 11.23 -12.52 C:51 17.34 -10.42 38 1 -1 40 2 -2 41 3 -2 4 17 1 5 30 1 36 6 -1 36 7 -2 37 8 -1 37 9 -2 39 10 -2 42 11 -1 12 31 2 13 32 2 14 31 1 34 15 -2 43 16 -2 17 30 2 18 19 1 18 33 2 19 41 1 20 25 1 20 39 1 21 22 1 21 40 1 22 42 1 23 24 1 23 43 1 24 44 1 25 45 1 26 28 1 44 26 -1 27 36 1 27 38 1 28 43 1 29 32 1 35 29 -1 30 32 1 45 31 -1 33 38 1 33 39 1 34 35 1 34 36 1 35 45 1 37 40 1 37 43 1 38 45 1 39 42 1 40 44 1 41 42 1 41 44 1', 'C35H52O7', 584.394, 'P', 'np01_37_2', 2384, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(5310, 'Spinoside D3', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]15[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:101]4O[C@@H:105]([CH2:106]O[C@@H:201]3O[C@H:205]([CH2:206]O[C@@H:301]2O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]2O)[C@@H:204](O)[C@H:203](O)[C@H:202]3O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[CH2:16][CH2:15][C@@:14]6([CH3:27])[C:13]5=[CH:12][CH2:11][C@@:9]7([H])[C@@:8]6([CH3:26])[CH2:7][CH2:6][C@@:5]8([H])[C@:4]([CH3:24])([CH2:23]O)[C@H:3](O)[CH2:2][CH2:1][C@:10]78[CH3:25]', '[H][C@@]15C[C@](C)(C(=O)O)CC[C@]1(C(=O)O[C@@H]4O[C@@H](CO[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]6(C)C5=CC[C@@]7([H])[C@@]6(C)CC[C@@]8([H])[C@](C)(CO)[C@H](O)CC[C@]78C', 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'C42H64O16', 824.464, 'D', 'ph45_985_4a', 1251, '', '', '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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(5335, '', 'ent-8,9-seco-7alpha,11beta-Diacetoxykaura-8(14),16-dien-9,15-dione', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:13]13[CH:14]=[C:8]([C:15](=O)[C:16]1=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:6][C@:5]2([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]2([CH3:20])[C:9](=O)[C@@H:11](O[C:11001]([CH3:11002])=O)[CH2:12]3', '[H][C@@]13C=C(C(=O)C1=C)[C@H](OC(C)=O)C[C@]2([H])[C@](C)(C)CCC[C@@]2(C)C(=O)[C@@H](OC(C)=O)C3', '[H][C@@:41]13[CH:159]=[C:145]([C:194](=O)[C:148]1=[CH2:113])[C@H:66](O[C:169]([CH3:21])=O)[CH2:32][C@:40]2([H])[C@:34]([CH3:34])([CH3:22])[CH2:41][CH2:18][CH2:32][C@@:55]2([CH3:18])[C:212](=O)[C@@H:78](O[C:170]([CH3:21])=O)[CH2:32]3', '32 34 H 18.11 -8.27 H 13.73 -13.55 C:17 19.95 -8.99 C:11002 12.50 -6.13 C:7002 17.20 -16.14 C:18 13.45 -14.31 C:19 11.43 -14.22 C:20 13.71 -9.70 O 14.96 -6.14 O 14.98 -15.09 O 19.45 -12.02 O 16.02 -11.24 C:14 16.41 -9.97 C:2 11.23 -11.12 C:3 11.23 -12.53 C:1 12.46 -10.40 C:12 16.19 -8.25 C:6 14.96 -13.26 O 13.74 -8.26 O 17.00 -13.69 C:11001 13.74 -6.84 C:7001 16.39 -14.97 C:16 18.68 -9.62 C:15 18.45 -11.02 C:9 14.96 -10.40 C:8 17.04 -11.23 C:11 14.96 -8.98 C:7 16.19 -12.53 C:13 17.41 -8.98 C:4 12.46 -13.26 C:5 13.71 -12.53 C:10 13.71 -11.12 29 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 30 6 -1 30 7 -2 32 8 -2 9 21 2 10 22 2 11 24 2 12 25 2 13 26 2 13 29 1 14 15 1 14 16 1 15 30 1 16 32 1 17 27 1 17 29 1 18 28 1 18 31 1 19 21 1 27 19 -1 20 22 1 28 20 -2 23 24 1 23 29 1 24 26 1 25 27 1 25 32 1 26 28 1 30 31 1 31 32 1', '32 34 H 18.11 -8.27 H 13.73 -13.55 C 19.95 -8.99 C 12.50 -6.13 C 17.20 -16.14 C 13.45 -14.31 C 11.43 -14.22 C 13.71 -9.70 O 14.96 -6.14 O 14.98 -15.09 O 19.45 -12.02 O 16.02 -11.24 C 16.41 -9.97 C 11.23 -11.12 C 11.23 -12.53 C 12.46 -10.40 C 16.19 -8.25 C 14.96 -13.26 O 13.74 -8.26 O 17.00 -13.69 C 13.74 -6.84 C 16.39 -14.97 C 18.68 -9.62 C 18.45 -11.02 C 14.96 -10.40 C 17.04 -11.23 C 14.96 -8.98 C 16.19 -12.53 C 17.41 -8.98 C 12.46 -13.26 C 13.71 -12.53 C 13.71 -11.12 29 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 30 6 -1 30 7 -2 32 8 -2 9 21 2 10 22 2 11 24 2 12 25 2 13 26 2 13 29 1 14 15 1 14 16 1 15 30 1 16 32 1 17 27 1 17 29 1 18 28 1 18 31 1 19 21 1 27 19 -1 20 22 1 28 20 -2 23 24 1 23 29 1 24 26 1 25 27 1 25 32 1 26 28 1 30 31 1 31 32 1', '32 34 H 18.11 -8.27 H 13.73 -13.55 C:113 19.95 -8.99 C:21 12.50 -6.13 C:21 17.20 -16.14 C:34 13.45 -14.31 C:22 11.43 -14.22 C:18 13.71 -9.70 O 14.96 -6.14 O 14.98 -15.09 O 19.45 -12.02 O 16.02 -11.24 C:159 16.41 -9.97 C:18 11.23 -11.12 C:41 11.23 -12.53 C:32 12.46 -10.40 C:32 16.19 -8.25 C:32 14.96 -13.26 O 13.74 -8.26 O 17.00 -13.69 C:170 13.74 -6.84 C:169 16.39 -14.97 C:148 18.68 -9.62 C:194 18.45 -11.02 C:212 14.96 -10.40 C:145 17.04 -11.23 C:78 14.96 -8.98 C:66 16.19 -12.53 C:41 17.41 -8.98 C:34 12.46 -13.26 C:40 13.71 -12.53 C:55 13.71 -11.12 29 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 30 6 -1 30 7 -2 32 8 -2 9 21 2 10 22 2 11 24 2 12 25 2 13 26 2 13 29 1 14 15 1 14 16 1 15 30 1 16 32 1 17 27 1 17 29 1 18 28 1 18 31 1 19 21 1 27 19 -1 20 22 1 28 20 -2 23 24 1 23 29 1 24 26 1 25 27 1 25 32 1 26 28 1 30 31 1 31 32 1', 'C24H32O6', 416.269, 'C', 'np03_868_1', 2267, '', '', '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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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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