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
(3437, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][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])([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)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:47]12[CH2:47][C@:31]([CH3:24])([CH3:33])[CH2:35][CH2:37][C@:33]1([CH3:28])[CH2:26][CH2:27][C@:42]5([CH3:26])[C:145]2=[CH:122][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:38][CH2:28][C@H:81](O)[C@:43]([CH3:22])([CH2:64]O)[C@:56]3([H])[CH2:18][CH2:33][C@:40]45[CH3:17]', '35 39 H 16.38 -7.74 H 12.72 -9.59 H 11.43 -11.83 C:29 18.44 -3.18 C:30 16.80 -3.17 C:24 9.43 -12.65 C:23 10.92 -12.70 C:27 15.18 -10.03 C:28 17.62 -5.76 C:25 11.43 -7.87 C:26 13.92 -7.87 O 7.79 -11.51 C:12 13.91 -6.48 C:11 12.69 -7.16 C:2 8.98 -9.30 C:1 10.21 -8.58 C:6 12.69 -11.47 C:15 16.38 -9.30 C:16 17.62 -8.58 C:7 13.91 -10.76 C:21 18.84 -5.05 C:19 16.38 -5.05 C:13 15.16 -7.16 C:3 8.98 -10.76 C:22 18.84 -6.48 C:20 17.62 -4.34 C:4 10.21 -11.47 C:18 16.38 -6.48 C:9 12.69 -8.58 C:5 11.43 -10.76 C:14 15.16 -8.58 C:17 17.62 -7.16 C:10 11.43 -9.30 C:8 13.91 -9.30 O 8.06 -12.95 28 1 -1 29 2 -2 30 3 -2 26 4 -2 26 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 34 11 -1 24 12 -1 13 14 1 13 23 2 14 29 1 15 16 1 15 24 1 16 33 1 17 20 1 17 30 1 18 19 1 18 31 1 19 32 1 20 34 1 21 25 1 21 26 1 22 26 1 22 28 1 23 28 1 23 31 1 24 27 1 25 32 1 27 30 1 28 32 1 29 33 1 29 34 1 30 33 1 31 34 1 6 35 1', '35 39 H 16.38 -7.74 H 12.72 -9.59 H 11.43 -11.83 C 18.44 -3.18 C 16.80 -3.17 C 9.43 -12.65 C 10.92 -12.70 C 15.18 -10.03 C 17.62 -5.76 C 11.43 -7.87 C 13.92 -7.87 O 7.79 -11.51 C 13.91 -6.48 C 12.69 -7.16 C 8.98 -9.30 C 10.21 -8.58 C 12.69 -11.47 C 16.38 -9.30 C 17.62 -8.58 C 13.91 -10.76 C 18.84 -5.05 C 16.38 -5.05 C 15.16 -7.16 C 8.98 -10.76 C 18.84 -6.48 C 17.62 -4.34 C 10.21 -11.47 C 16.38 -6.48 C 12.69 -8.58 C 11.43 -10.76 C 15.16 -8.58 C 17.62 -7.16 C 11.43 -9.30 C 13.91 -9.30 O 8.06 -12.95 28 1 -1 29 2 -2 30 3 -2 26 4 -2 26 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 34 11 -1 24 12 -1 13 14 1 13 23 2 14 29 1 15 16 1 15 24 1 16 33 1 17 20 1 17 30 1 18 19 1 18 31 1 19 32 1 20 34 1 21 25 1 21 26 1 22 26 1 22 28 1 23 28 1 23 31 1 24 27 1 25 32 1 27 30 1 28 32 1 29 33 1 29 34 1 30 33 1 31 34 1 6 35 1', '35 39 H 16.38 -7.74 H 12.72 -9.59 H 11.43 -11.83 C:33 18.44 -3.18 C:24 16.80 -3.17 C:64 9.43 -12.65 C:22 10.92 -12.70 C:26 15.18 -10.03 C:28 17.62 -5.76 C:16 11.43 -7.87 C:17 13.92 -7.87 O 7.79 -11.51 C:122 13.91 -6.48 C:24 12.69 -7.16 C:28 8.98 -9.30 C:38 10.21 -8.58 C:18 12.69 -11.47 C:27 16.38 -9.30 C:26 17.62 -8.58 C:33 13.91 -10.76 C:35 18.84 -5.05 C:47 16.38 -5.05 C:145 15.16 -7.16 C:81 8.98 -10.76 C:37 18.84 -6.48 C:31 17.62 -4.34 C:43 10.21 -11.47 C:47 16.38 -6.48 C:48 12.69 -8.58 C:56 11.43 -10.76 C:42 15.16 -8.58 C:33 17.62 -7.16 C:37 11.43 -9.30 C:40 13.91 -9.30 O 8.06 -12.95 28 1 -1 29 2 -2 30 3 -2 26 4 -2 26 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 34 11 -1 24 12 -1 13 14 1 13 23 2 14 29 1 15 16 1 15 24 1 16 33 1 17 20 1 17 30 1 18 19 1 18 31 1 19 32 1 20 34 1 21 25 1 21 26 1 22 26 1 22 28 1 23 28 1 23 31 1 24 27 1 25 32 1 27 30 1 28 32 1 29 33 1 29 34 1 30 33 1 31 34 1 6 35 1', 'C30H50O2', 442.344, 'C', '1558.22', 2221, '', '', '3', 1, NULL, NULL),
(3438, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH2:30]O)[CH2:21][CH2:22][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]([CH3:24])([CH3:23])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(CO)CC[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@@:47]12[CH2:42][C@@:36]([CH3:30])([CH2:67]O)[CH2:30][CH2:37][C@:32]1([CH3:28])[CH2:27][CH2:26][C@:42]5([CH3:26])[C:144]2=[CH:122][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:27][C@H:79](O)[C@@:39]([CH3:16])([CH3:28])[C@:55]3([H])[CH2:18][CH2:33][C@:40]45[CH3:17]', '35 39 H 16.38 -7.85 H 12.72 -9.70 H 11.43 -11.94 C:30 16.80 -3.28 C:29 18.44 -3.29 C:28 17.62 -5.87 C:27 15.18 -10.14 C:23 10.92 -12.81 C:25 11.43 -7.98 C:26 13.92 -7.98 O 7.79 -11.62 C:12 13.91 -6.59 C:24 9.43 -12.76 C:11 12.69 -7.27 C:2 8.98 -9.41 C:21 18.84 -5.16 C:22 18.84 -6.59 C:16 17.62 -8.69 C:6 12.69 -11.58 C:1 10.21 -8.69 C:15 16.38 -9.41 C:7 13.91 -10.87 C:19 16.38 -5.16 C:13 15.16 -7.27 C:3 8.98 -10.87 C:20 17.62 -4.45 C:18 16.38 -6.59 C:17 17.62 -7.27 C:9 12.69 -8.69 C:5 11.43 -10.87 C:14 15.16 -8.69 C:4 10.21 -11.58 C:10 11.43 -9.41 C:8 13.91 -9.41 O 15.40 -3.38 27 1 -1 29 2 -2 30 3 -2 26 4 -1 26 5 -2 28 6 -1 31 7 -2 32 8 -2 33 9 -1 34 10 -1 25 11 -1 12 14 1 12 24 2 32 13 -1 14 29 1 15 20 1 15 25 1 16 17 1 16 26 1 17 28 1 18 21 1 18 28 1 19 22 1 19 30 1 20 33 1 21 31 1 22 34 1 23 26 1 23 27 1 24 27 1 24 31 1 25 32 1 27 28 1 29 33 1 29 34 1 30 32 1 30 33 1 31 34 1 4 35 1', '35 39 H 16.38 -7.85 H 12.72 -9.70 H 11.43 -11.94 C 16.80 -3.28 C 18.44 -3.29 C 17.62 -5.87 C 15.18 -10.14 C 10.92 -12.81 C 11.43 -7.98 C 13.92 -7.98 O 7.79 -11.62 C 13.91 -6.59 C 9.43 -12.76 C 12.69 -7.27 C 8.98 -9.41 C 18.84 -5.16 C 18.84 -6.59 C 17.62 -8.69 C 12.69 -11.58 C 10.21 -8.69 C 16.38 -9.41 C 13.91 -10.87 C 16.38 -5.16 C 15.16 -7.27 C 8.98 -10.87 C 17.62 -4.45 C 16.38 -6.59 C 17.62 -7.27 C 12.69 -8.69 C 11.43 -10.87 C 15.16 -8.69 C 10.21 -11.58 C 11.43 -9.41 C 13.91 -9.41 O 15.40 -3.38 27 1 -1 29 2 -2 30 3 -2 26 4 -1 26 5 -2 28 6 -1 31 7 -2 32 8 -2 33 9 -1 34 10 -1 25 11 -1 12 14 1 12 24 2 32 13 -1 14 29 1 15 20 1 15 25 1 16 17 1 16 26 1 17 28 1 18 21 1 18 28 1 19 22 1 19 30 1 20 33 1 21 31 1 22 34 1 23 26 1 23 27 1 24 27 1 24 31 1 25 32 1 27 28 1 29 33 1 29 34 1 30 32 1 30 33 1 31 34 1 4 35 1', '35 39 H 16.38 -7.85 H 12.72 -9.70 H 11.43 -11.94 C:67 16.80 -3.28 C:30 18.44 -3.29 C:28 17.62 -5.87 C:26 15.18 -10.14 C:28 10.92 -12.81 C:16 11.43 -7.98 C:17 13.92 -7.98 O 7.79 -11.62 C:122 13.91 -6.59 C:16 9.43 -12.76 C:24 12.69 -7.27 C:27 8.98 -9.41 C:30 18.84 -5.16 C:37 18.84 -6.59 C:27 17.62 -8.69 C:18 12.69 -11.58 C:39 10.21 -8.69 C:26 16.38 -9.41 C:33 13.91 -10.87 C:42 16.38 -5.16 C:144 15.16 -7.27 C:79 8.98 -10.87 C:36 17.62 -4.45 C:47 16.38 -6.59 C:32 17.62 -7.27 C:48 12.69 -8.69 C:55 11.43 -10.87 C:42 15.16 -8.69 C:39 10.21 -11.58 C:37 11.43 -9.41 C:40 13.91 -9.41 O 15.40 -3.38 27 1 -1 29 2 -2 30 3 -2 26 4 -1 26 5 -2 28 6 -1 31 7 -2 32 8 -2 33 9 -1 34 10 -1 25 11 -1 12 14 1 12 24 2 32 13 -1 14 29 1 15 20 1 15 25 1 16 17 1 16 26 1 17 28 1 18 21 1 18 28 1 19 22 1 19 30 1 20 33 1 21 31 1 22 34 1 23 26 1 23 27 1 24 27 1 24 31 1 25 32 1 27 28 1 29 33 1 29 34 1 30 32 1 30 33 1 31 34 1 4 35 1', 'C30H50O2', 442.344, 'C', '1558.24', 548, '', '', '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
(3450, 'hederagenin', '', '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@H:3](O)[C@@:4]([CH3:24])([CH2:23]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)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:42]12[CH2:47][C@@:31]([CH3:33])([CH3:24])[CH2:34][CH2:33][C@:47]1([C:180](=O)O)[CH2:24][CH2:28][C@:42]5([CH3:26])[C:145]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:28][C@H:74](O)[C@@:43]([CH3:13])([CH2:68]O)[C@:49]3([H])[CH2:19][CH2:34][C@:40]45[CH3:18]', '37 41 H 12.16 -9.52 H 10.86 -11.76 H 15.81 -7.67 C:30 16.24 -3.09 C:27 14.61 -9.96 C:25 10.86 -7.80 C:26 13.36 -7.80 O 18.28 -9.18 O 19.47 -7.07 O 7.23 -11.44 C:12 13.35 -6.40 C:29 17.89 -3.10 C:24 8.86 -12.57 C:23 10.35 -12.62 C:11 12.13 -7.09 C:21 18.29 -4.98 C:6 12.13 -11.40 C:15 15.81 -9.23 C:7 13.35 -10.69 C:22 18.29 -6.40 C:16 17.06 -8.51 C:1 9.63 -8.51 C:28 18.28 -7.78 C:13 14.59 -7.09 C:2 8.42 -9.23 C:3 8.42 -10.69 C:19 15.81 -4.98 C:20 17.06 -4.26 C:9 12.13 -8.51 C:5 10.86 -10.69 C:18 15.81 -6.40 C:14 14.59 -8.51 C:10 10.86 -9.23 C:8 13.35 -9.23 C:17 17.06 -7.09 C:4 9.63 -11.40 O 11.70 -13.00 29 1 -2 30 2 -2 31 3 -1 28 4 -1 32 5 -2 33 6 -1 34 7 -1 8 23 2 9 23 1 26 10 -1 11 15 1 11 24 2 28 12 -2 36 13 -1 36 14 -2 15 29 1 16 20 1 16 28 1 17 19 1 17 30 1 18 21 1 18 32 1 19 34 1 20 35 1 21 35 1 22 25 1 22 33 1 35 23 -1 24 31 1 24 32 1 25 26 1 26 36 1 27 28 1 27 31 1 29 33 1 29 34 1 30 33 1 30 36 1 31 35 1 32 34 1 14 37 1', '37 41 H 12.16 -9.52 H 10.86 -11.76 H 15.81 -7.67 C 16.24 -3.09 C 14.61 -9.96 C 10.86 -7.80 C 13.36 -7.80 O 18.28 -9.18 O 19.47 -7.07 O 7.23 -11.44 C 13.35 -6.40 C 17.89 -3.10 C 8.86 -12.57 C 10.35 -12.62 C 12.13 -7.09 C 18.29 -4.98 C 12.13 -11.40 C 15.81 -9.23 C 13.35 -10.69 C 18.29 -6.40 C 17.06 -8.51 C 9.63 -8.51 C 18.28 -7.78 C 14.59 -7.09 C 8.42 -9.23 C 8.42 -10.69 C 15.81 -4.98 C 17.06 -4.26 C 12.13 -8.51 C 10.86 -10.69 C 15.81 -6.40 C 14.59 -8.51 C 10.86 -9.23 C 13.35 -9.23 C 17.06 -7.09 C 9.63 -11.40 O 11.70 -13.00 29 1 -2 30 2 -2 31 3 -1 28 4 -1 32 5 -2 33 6 -1 34 7 -1 8 23 2 9 23 1 26 10 -1 11 15 1 11 24 2 28 12 -2 36 13 -1 36 14 -2 15 29 1 16 20 1 16 28 1 17 19 1 17 30 1 18 21 1 18 32 1 19 34 1 20 35 1 21 35 1 22 25 1 22 33 1 35 23 -1 24 31 1 24 32 1 25 26 1 26 36 1 27 28 1 27 31 1 29 33 1 29 34 1 30 33 1 30 36 1 31 35 1 32 34 1 14 37 1', '37 41 H 12.16 -9.52 H 10.86 -11.76 H 15.81 -7.67 C:24 16.24 -3.09 C:26 14.61 -9.96 C:16 10.86 -7.80 C:18 13.36 -7.80 O 18.28 -9.18 O 19.47 -7.07 O 7.23 -11.44 C:123 13.35 -6.40 C:33 17.89 -3.10 C:13 8.86 -12.57 C:68 10.35 -12.62 C:24 12.13 -7.09 C:34 18.29 -4.98 C:19 12.13 -11.40 C:28 15.81 -9.23 C:34 13.35 -10.69 C:33 18.29 -6.40 C:24 17.06 -8.51 C:39 9.63 -8.51 C:180 18.28 -7.78 C:145 14.59 -7.09 C:28 8.42 -9.23 C:74 8.42 -10.69 C:47 15.81 -4.98 C:31 17.06 -4.26 C:48 12.13 -8.51 C:49 10.86 -10.69 C:42 15.81 -6.40 C:42 14.59 -8.51 C:37 10.86 -9.23 C:40 13.35 -9.23 C:47 17.06 -7.09 C:43 9.63 -11.40 O 11.70 -13.00 29 1 -2 30 2 -2 31 3 -1 28 4 -1 32 5 -2 33 6 -1 34 7 -1 8 23 2 9 23 1 26 10 -1 11 15 1 11 24 2 28 12 -2 36 13 -1 36 14 -2 15 29 1 16 20 1 16 28 1 17 19 1 17 30 1 18 21 1 18 32 1 19 34 1 20 35 1 21 35 1 22 25 1 22 33 1 35 23 -1 24 31 1 24 32 1 25 26 1 26 36 1 27 28 1 27 31 1 29 33 1 29 34 1 30 33 1 30 36 1 31 35 1 32 34 1 14 37 1', 'C30H48O4', 472.342, 'C', '1558.37', 1156, '', '', '3', 1, NULL, NULL),
(3451, 'epihedaragenin', '', '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)[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])([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)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:42]12[CH2:47][C@:31]([CH3:24])([CH3:33])[CH2:34][CH2:33][C@:47]1([C:180](=O)O)[CH2:24][CH2:29][C@:42]5([CH3:26])[C:145]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:29][C@H:80](O)[C@:43]([CH3:24])([CH2:65]O)[C@:57]3([H])[CH2:19][CH2:34][C@:40]45[CH3:17]', '37 41 H 15.80 -7.78 H 12.15 -9.63 H 10.85 -11.87 C:29 17.88 -3.21 C:30 16.23 -3.20 C:27 14.60 -10.07 C:24 8.86 -12.68 C:25 10.85 -7.91 C:26 13.35 -7.91 O 18.27 -9.29 O 19.46 -7.18 O 7.23 -11.55 C:12 13.34 -6.51 C:23 10.34 -12.73 C:2 8.42 -9.34 C:11 12.12 -7.20 C:21 18.28 -5.09 C:1 9.63 -8.62 C:6 12.12 -11.51 C:15 15.80 -9.34 C:7 13.34 -10.80 C:22 18.28 -6.51 C:16 17.05 -8.62 C:19 15.80 -5.09 C:28 18.27 -7.89 C:13 14.58 -7.20 C:3 8.42 -10.80 C:20 17.05 -4.37 C:18 15.80 -6.51 C:9 12.12 -8.62 C:5 10.85 -10.80 C:14 14.58 -8.62 C:4 9.63 -11.51 C:10 10.85 -9.34 C:8 13.34 -9.34 C:17 17.05 -7.20 O 7.49 -12.97 29 1 -1 30 2 -2 31 3 -2 28 4 -2 28 5 -1 32 6 -2 33 7 -1 34 8 -1 35 9 -1 10 25 2 11 25 1 27 12 -1 13 16 1 13 26 2 33 14 -2 15 18 1 15 27 1 16 30 1 17 22 1 17 28 1 18 34 1 19 21 1 19 31 1 20 23 1 20 32 1 21 35 1 22 36 1 23 36 1 24 28 1 24 29 1 36 25 -1 26 29 1 26 32 1 27 33 1 29 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1 7 37 1', '37 41 H 15.80 -7.78 H 12.15 -9.63 H 10.85 -11.87 C 17.88 -3.21 C 16.23 -3.20 C 14.60 -10.07 C 8.86 -12.68 C 10.85 -7.91 C 13.35 -7.91 O 18.27 -9.29 O 19.46 -7.18 O 7.23 -11.55 C 13.34 -6.51 C 10.34 -12.73 C 8.42 -9.34 C 12.12 -7.20 C 18.28 -5.09 C 9.63 -8.62 C 12.12 -11.51 C 15.80 -9.34 C 13.34 -10.80 C 18.28 -6.51 C 17.05 -8.62 C 15.80 -5.09 C 18.27 -7.89 C 14.58 -7.20 C 8.42 -10.80 C 17.05 -4.37 C 15.80 -6.51 C 12.12 -8.62 C 10.85 -10.80 C 14.58 -8.62 C 9.63 -11.51 C 10.85 -9.34 C 13.34 -9.34 C 17.05 -7.20 O 7.49 -12.97 29 1 -1 30 2 -2 31 3 -2 28 4 -2 28 5 -1 32 6 -2 33 7 -1 34 8 -1 35 9 -1 10 25 2 11 25 1 27 12 -1 13 16 1 13 26 2 33 14 -2 15 18 1 15 27 1 16 30 1 17 22 1 17 28 1 18 34 1 19 21 1 19 31 1 20 23 1 20 32 1 21 35 1 22 36 1 23 36 1 24 28 1 24 29 1 36 25 -1 26 29 1 26 32 1 27 33 1 29 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1 7 37 1', '37 41 H 15.80 -7.78 H 12.15 -9.63 H 10.85 -11.87 C:33 17.88 -3.21 C:24 16.23 -3.20 C:26 14.60 -10.07 C:65 8.86 -12.68 C:16 10.85 -7.91 C:17 13.35 -7.91 O 18.27 -9.29 O 19.46 -7.18 O 7.23 -11.55 C:123 13.34 -6.51 C:24 10.34 -12.73 C:29 8.42 -9.34 C:24 12.12 -7.20 C:34 18.28 -5.09 C:39 9.63 -8.62 C:19 12.12 -11.51 C:29 15.80 -9.34 C:34 13.34 -10.80 C:33 18.28 -6.51 C:24 17.05 -8.62 C:47 15.80 -5.09 C:180 18.27 -7.89 C:145 14.58 -7.20 C:80 8.42 -10.80 C:31 17.05 -4.37 C:42 15.80 -6.51 C:48 12.12 -8.62 C:57 10.85 -10.80 C:42 14.58 -8.62 C:43 9.63 -11.51 C:37 10.85 -9.34 C:40 13.34 -9.34 C:47 17.05 -7.20 O 7.49 -12.97 29 1 -1 30 2 -2 31 3 -2 28 4 -2 28 5 -1 32 6 -2 33 7 -1 34 8 -1 35 9 -1 10 25 2 11 25 1 27 12 -1 13 16 1 13 26 2 33 14 -2 15 18 1 15 27 1 16 30 1 17 22 1 17 28 1 18 34 1 19 21 1 19 31 1 20 23 1 20 32 1 21 35 1 22 36 1 23 36 1 24 28 1 24 29 1 36 25 -1 26 29 1 26 32 1 27 33 1 29 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1 7 37 1', 'C30H48O4', 472.342, 'P', '1558.38', 1156, '', '', '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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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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(3515, 'Yunganogenin D', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]34[CH:11]=[CH:12][C:13]2=[C:18]1[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]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@@:4]([CH3:23])([CH2:24]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34C=CC2=C1C[C@@](C)(C)C[C@@H](O)[C@]1(C)CC[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@@](C)(CO)[C@@H](O)CC[C@]45C', '[H][C@:55]34[CH:127]=[CH:126][C:138]2=[C:135]1[CH2:38][C@@:43]([CH3:25])([CH3:29])[CH2:43][C@@H:76](O)[C@:42]1([CH3:24])[CH2:36][CH2:25][C@@:41]2([CH3:25])[C@:41]3([CH3:17])[CH2:34][CH2:20][C@@:56]5([H])[C@@:40]([CH3:23])([CH2:65]O)[C@@H:80](O)[CH2:29][CH2:39][C@:40]45[CH3:18]', '35 39 H 12.71 -10.87 H 11.42 -13.09 C:23 10.91 -13.97 C:24 9.43 -13.92 C:30 16.80 -4.45 C:27 15.17 -11.31 C:25 11.42 -9.16 C:26 13.93 -9.16 O 7.80 -12.76 C:12 13.92 -7.76 C:11 12.68 -8.45 C:2 8.99 -10.59 C:1 10.20 -9.87 C:16 17.60 -9.87 C:6 12.68 -12.73 C:15 16.37 -10.59 C:7 13.92 -12.03 C:19 16.37 -6.34 C:21 18.83 -6.34 C:29 18.42 -4.46 C:13 15.15 -8.45 C:18 16.37 -7.76 C:3 8.99 -12.03 C:22 18.83 -7.76 C:4 10.20 -12.73 C:20 17.60 -5.62 C:9 12.68 -9.87 C:17 17.60 -8.45 C:5 11.42 -12.03 C:14 15.15 -9.87 C:10 11.42 -10.59 C:8 13.92 -10.59 O 8.03 -13.85 C:28 17.60 -7.05 O 20.03 -8.47 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 4 33 1 28 34 -1 24 35 -1', '35 39 H 12.71 -10.87 H 11.42 -13.09 C 10.91 -13.97 C 9.43 -13.92 C 16.80 -4.45 C 15.17 -11.31 C 11.42 -9.16 C 13.93 -9.16 O 7.80 -12.76 C 13.92 -7.76 C 12.68 -8.45 C 8.99 -10.59 C 10.20 -9.87 C 17.60 -9.87 C 12.68 -12.73 C 16.37 -10.59 C 13.92 -12.03 C 16.37 -6.34 C 18.83 -6.34 C 18.42 -4.46 C 15.15 -8.45 C 16.37 -7.76 C 8.99 -12.03 C 18.83 -7.76 C 10.20 -12.73 C 17.60 -5.62 C 12.68 -9.87 C 17.60 -8.45 C 11.42 -12.03 C 15.15 -9.87 C 11.42 -10.59 C 13.92 -10.59 O 8.03 -13.85 C 17.60 -7.05 O 20.03 -8.47 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 4 33 1 28 34 -1 24 35 -1', '35 39 H 12.71 -10.87 H 11.42 -13.09 C:23 10.91 -13.97 C:65 9.43 -13.92 C:29 16.80 -4.45 C:25 15.17 -11.31 C:18 11.42 -9.16 C:17 13.93 -9.16 O 7.80 -12.76 C:126 13.92 -7.76 C:127 12.68 -8.45 C:29 8.99 -10.59 C:39 10.20 -9.87 C:36 17.60 -9.87 C:20 12.68 -12.73 C:25 16.37 -10.59 C:34 13.92 -12.03 C:38 16.37 -6.34 C:43 18.83 -6.34 C:25 18.42 -4.46 C:138 15.15 -8.45 C:135 16.37 -7.76 C:80 8.99 -12.03 C:76 18.83 -7.76 C:40 10.20 -12.73 C:43 17.60 -5.62 C:55 12.68 -9.87 C:42 17.60 -8.45 C:56 11.42 -12.03 C:41 15.15 -9.87 C:40 11.42 -10.59 C:41 13.92 -10.59 O 8.03 -13.85 C:24 17.60 -7.05 O 20.03 -8.47 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 4 33 1 28 34 -1 24 35 -1', 'C30H48O3', 456.335, 'P', 'M-113', 63, '', '', '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
(3516, 'Saikogenin A', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]34[CH:11]=[CH:12][C:13]2=[C:18]1[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([CH2:28]O)[C@@H:16](O)[CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34C=CC2=C1C[C@@](C)(C)CC[C@]1(CO)[C@@H](O)C[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O)CC[C@]45C', '[H][C@:55]34[CH:127]=[CH:126][C:136]2=[C:133]1[CH2:38][C@@:33]([CH3:25])([CH3:32])[CH2:35][CH2:30][C@:44]1([CH2:64]O)[C@@H:77](O)[CH2:35][C@@:44]2([CH3:22])[C@:41]3([CH3:17])[CH2:32][CH2:19][C@@:48]5([H])[C@:43]([CH3:13])([CH2:67]O)[C@@H:73](O)[CH2:28][CH2:38][C@:37]45[CH3:19]', '36 40 H 12.15 -10.87 H 10.86 -13.09 C:23 10.35 -13.97 C:24 8.87 -13.92 C:30 16.24 -4.45 C:27 14.61 -11.31 C:25 10.86 -9.16 C:26 13.37 -9.16 O 7.24 -12.76 C:12 13.36 -7.76 C:11 12.12 -8.45 C:2 8.43 -10.59 C:1 9.64 -9.87 C:16 17.04 -9.87 C:6 12.12 -12.73 C:15 15.81 -10.59 C:7 13.36 -12.03 C:19 15.81 -6.34 C:21 18.27 -6.34 C:29 17.86 -4.46 C:13 14.59 -8.45 C:18 15.81 -7.76 C:3 8.43 -12.03 C:22 18.27 -7.76 C:4 9.64 -12.73 C:20 17.04 -5.62 C:9 12.12 -9.87 C:17 17.04 -8.45 C:5 10.86 -12.03 C:14 14.59 -9.87 C:10 10.86 -10.59 C:8 13.36 -10.59 O 18.26 -10.56 C:28 18.26 -9.13 O 19.46 -8.40 O 9.64 -15.18 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 14 33 -1 28 34 -1 34 35 1 3 36 1', '36 40 H 12.15 -10.87 H 10.86 -13.09 C 10.35 -13.97 C 8.87 -13.92 C 16.24 -4.45 C 14.61 -11.31 C 10.86 -9.16 C 13.37 -9.16 O 7.24 -12.76 C 13.36 -7.76 C 12.12 -8.45 C 8.43 -10.59 C 9.64 -9.87 C 17.04 -9.87 C 12.12 -12.73 C 15.81 -10.59 C 13.36 -12.03 C 15.81 -6.34 C 18.27 -6.34 C 17.86 -4.46 C 14.59 -8.45 C 15.81 -7.76 C 8.43 -12.03 C 18.27 -7.76 C 9.64 -12.73 C 17.04 -5.62 C 12.12 -9.87 C 17.04 -8.45 C 10.86 -12.03 C 14.59 -9.87 C 10.86 -10.59 C 13.36 -10.59 O 18.26 -10.56 C 18.26 -9.13 O 19.46 -8.40 O 9.64 -15.18 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 14 33 -1 28 34 -1 34 35 1 3 36 1', '36 40 H 12.15 -10.87 H 10.86 -13.09 C:67 10.35 -13.97 C:13 8.87 -13.92 C:32 16.24 -4.45 C:22 14.61 -11.31 C:19 10.86 -9.16 C:17 13.37 -9.16 O 7.24 -12.76 C:126 13.36 -7.76 C:127 12.12 -8.45 C:28 8.43 -10.59 C:38 9.64 -9.87 C:77 17.04 -9.87 C:19 12.12 -12.73 C:35 15.81 -10.59 C:32 13.36 -12.03 C:38 15.81 -6.34 C:35 18.27 -6.34 C:25 17.86 -4.46 C:136 14.59 -8.45 C:133 15.81 -7.76 C:73 8.43 -12.03 C:30 18.27 -7.76 C:43 9.64 -12.73 C:33 17.04 -5.62 C:55 12.12 -9.87 C:44 17.04 -8.45 C:48 10.86 -12.03 C:44 14.59 -9.87 C:37 10.86 -10.59 C:41 13.36 -10.59 O 18.26 -10.56 C:64 18.26 -9.13 O 19.46 -8.40 O 9.64 -15.18 27 1 -2 29 2 -2 25 3 -2 25 4 -1 26 5 -1 30 6 -2 31 7 -1 32 8 -1 23 9 -1 10 11 2 10 21 1 11 27 1 12 13 1 12 23 1 13 31 1 14 16 1 14 28 1 15 17 1 15 29 1 16 30 1 17 32 1 18 22 1 18 26 1 19 24 1 19 26 1 26 20 -2 21 22 2 21 30 1 22 28 1 23 25 1 24 28 1 25 29 1 27 31 1 27 32 1 29 31 1 30 32 1 14 33 -1 28 34 -1 34 35 1 3 36 1', 'C30H48O4', 472.334, 'P', 'M-114', 2052, '', '', '3', 1, NULL, NULL),
(3517, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]34[CH:11]=[CH:12][C:13]2=[C:18]1[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([CH2:28]O)[C@H:16](O)[CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34C=CC2=C1C[C@](C)(C)CC[C@]1(CO)[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O)CC[C@]45C', '[H][C@:54]34[CH:126]=[CH:126][C:136]2=[C:133]1[CH2:39][C@:33]([CH3:32])([CH3:25])[CH2:35][CH2:24][C@:45]1([CH2:64]O)[C@H:68](O)[CH2:33][C@@:42]2([CH3:22])[C@:41]3([CH3:17])[CH2:32][CH2:19][C@@:48]5([H])[C@:43]([CH3:13])([CH2:65]O)[C@@H:73](O)[CH2:28][CH2:38][C@:37]45[CH3:19]', '36 40 H 12.15 -10.87 H 10.86 -13.09 C:29 17.86 -4.46 C:30 16.24 -4.45 C:27 14.61 -11.31 C:24 8.87 -13.92 C:25 10.86 -9.16 C:26 13.37 -9.16 O 9.64 -15.18 O 19.46 -8.40 O 7.24 -12.76 O 18.26 -10.56 C:12 13.36 -7.76 C:11 12.12 -8.45 C:23 10.35 -13.97 C:28 18.26 -9.13 C:2 8.43 -10.59 C:21 18.27 -6.34 C:1 9.64 -9.87 C:6 12.12 -12.73 C:7 13.36 -12.03 C:22 18.27 -7.76 C:19 15.81 -6.34 C:15 15.81 -10.59 C:13 14.59 -8.45 C:18 15.81 -7.76 C:3 8.43 -12.03 C:16 17.04 -9.87 C:20 17.04 -5.62 C:9 12.12 -9.87 C:5 10.86 -12.03 C:14 14.59 -9.87 C:4 9.64 -12.73 C:10 10.86 -10.59 C:8 13.36 -10.59 C:17 17.04 -8.45 30 1 -2 31 2 -2 29 3 -2 29 4 -1 32 5 -2 33 6 -1 34 7 -1 35 8 -1 9 15 1 10 16 1 27 11 -1 28 12 -2 13 14 2 13 25 1 14 30 1 33 15 -2 36 16 -1 17 19 1 17 27 1 18 22 1 18 29 1 19 34 1 20 21 1 20 31 1 21 35 1 22 36 1 23 26 1 23 29 1 24 28 1 24 32 1 25 26 2 25 32 1 26 36 1 27 33 1 28 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1', '36 40 H 12.15 -10.87 H 10.86 -13.09 C 17.86 -4.46 C 16.24 -4.45 C 14.61 -11.31 C 8.87 -13.92 C 10.86 -9.16 C 13.37 -9.16 O 9.64 -15.18 O 19.46 -8.40 O 7.24 -12.76 O 18.26 -10.56 C 13.36 -7.76 C 12.12 -8.45 C 10.35 -13.97 C 18.26 -9.13 C 8.43 -10.59 C 18.27 -6.34 C 9.64 -9.87 C 12.12 -12.73 C 13.36 -12.03 C 18.27 -7.76 C 15.81 -6.34 C 15.81 -10.59 C 14.59 -8.45 C 15.81 -7.76 C 8.43 -12.03 C 17.04 -9.87 C 17.04 -5.62 C 12.12 -9.87 C 10.86 -12.03 C 14.59 -9.87 C 9.64 -12.73 C 10.86 -10.59 C 13.36 -10.59 C 17.04 -8.45 30 1 -2 31 2 -2 29 3 -2 29 4 -1 32 5 -2 33 6 -1 34 7 -1 35 8 -1 9 15 1 10 16 1 27 11 -1 28 12 -2 13 14 2 13 25 1 14 30 1 33 15 -2 36 16 -1 17 19 1 17 27 1 18 22 1 18 29 1 19 34 1 20 21 1 20 31 1 21 35 1 22 36 1 23 26 1 23 29 1 24 28 1 24 32 1 25 26 2 25 32 1 26 36 1 27 33 1 28 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1', '36 40 H 12.15 -10.87 H 10.86 -13.09 C:25 17.86 -4.46 C:32 16.24 -4.45 C:22 14.61 -11.31 C:13 8.87 -13.92 C:19 10.86 -9.16 C:17 13.37 -9.16 O 9.64 -15.18 O 19.46 -8.40 O 7.24 -12.76 O 18.26 -10.56 C:126 13.36 -7.76 C:126 12.12 -8.45 C:65 10.35 -13.97 C:64 18.26 -9.13 C:28 8.43 -10.59 C:35 18.27 -6.34 C:38 9.64 -9.87 C:19 12.12 -12.73 C:32 13.36 -12.03 C:24 18.27 -7.76 C:39 15.81 -6.34 C:33 15.81 -10.59 C:136 14.59 -8.45 C:133 15.81 -7.76 C:73 8.43 -12.03 C:68 17.04 -9.87 C:33 17.04 -5.62 C:54 12.12 -9.87 C:48 10.86 -12.03 C:42 14.59 -9.87 C:43 9.64 -12.73 C:37 10.86 -10.59 C:41 13.36 -10.59 C:45 17.04 -8.45 30 1 -2 31 2 -2 29 3 -2 29 4 -1 32 5 -2 33 6 -1 34 7 -1 35 8 -1 9 15 1 10 16 1 27 11 -1 28 12 -2 13 14 2 13 25 1 14 30 1 33 15 -2 36 16 -1 17 19 1 17 27 1 18 22 1 18 29 1 19 34 1 20 21 1 20 31 1 21 35 1 22 36 1 23 26 1 23 29 1 24 28 1 24 32 1 25 26 2 25 32 1 26 36 1 27 33 1 28 36 1 30 34 1 30 35 1 31 33 1 31 34 1 32 35 1', 'C30H48O4', 472.334, 'P', 'M-115', 2052, '', '', '3', 1, NULL, NULL),
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(3527, 'Saikogenin G', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@](C)(C)C[C@@]12[H])[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:131][C@:85]13O[CH2:77][C@@:45]2([CH2:31][CH2:37][C@:32]([CH3:33])([CH3:24])[CH2:38][C@@:51]12[H])[C@H:77](O)[CH2:35][C@@:43]3([CH3:18])[C@:41]4([CH3:19])[CH2:31][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:70]O)[C@@H:76](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:29 20.67 -5.81 C:30 19.06 -5.80 C:24 11.71 -15.27 C:25 13.70 -10.53 C:26 16.18 -10.53 C:27 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C:11 14.95 -9.81 C:12 16.19 -9.12 C:23 13.19 -15.32 C:2 11.28 -11.96 C:21 21.08 -7.71 C:6 14.95 -14.09 C:1 12.48 -11.23 C:7 16.19 -13.39 C:22 21.08 -9.12 C:28 19.45 -8.49 C:15 18.63 -11.96 C:19 18.63 -7.71 O 17.82 -8.49 C:3 11.28 -13.39 C:16 19.85 -11.23 C:20 19.85 -6.99 C:9 14.95 -11.23 C:5 13.70 -13.39 C:18 18.63 -9.12 C:4 12.48 -14.09 C:10 13.70 -11.96 C:8 16.19 -11.96 C:14 17.40 -11.23 C:13 17.40 -9.81 C:17 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C 20.67 -5.81 C 19.06 -5.80 C 11.71 -15.27 C 13.70 -10.53 C 16.18 -10.53 C 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C 14.95 -9.81 C 16.19 -9.12 C 13.19 -15.32 C 11.28 -11.96 C 21.08 -7.71 C 14.95 -14.09 C 12.48 -11.23 C 16.19 -13.39 C 21.08 -9.12 C 19.45 -8.49 C 18.63 -11.96 C 18.63 -7.71 O 17.82 -8.49 C 11.28 -13.39 C 19.85 -11.23 C 19.85 -6.99 C 14.95 -11.23 C 13.70 -13.39 C 18.63 -9.12 C 12.48 -14.09 C 13.70 -11.96 C 16.19 -11.96 C 17.40 -11.23 C 17.40 -9.81 C 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:33 20.67 -5.81 C:24 19.06 -5.80 C:11 11.71 -15.27 C:18 13.70 -10.53 C:19 16.18 -10.53 C:18 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C:133 14.95 -9.81 C:131 16.19 -9.12 C:70 13.19 -15.32 C:26 11.28 -11.96 C:37 21.08 -7.71 C:18 14.95 -14.09 C:38 12.48 -11.23 C:31 16.19 -13.39 C:31 21.08 -9.12 C:77 19.45 -8.49 C:35 18.63 -11.96 C:38 18.63 -7.71 O 17.82 -8.49 C:76 11.28 -13.39 C:77 19.85 -11.23 C:32 19.85 -6.99 C:53 14.95 -11.23 C:49 13.70 -13.39 C:51 18.63 -9.12 C:42 12.48 -14.09 C:36 13.70 -11.96 C:41 16.19 -11.96 C:43 17.40 -11.23 C:85 17.40 -9.81 C:45 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', 'C30H48O4', 472.342, 'C', 'M-125', 2286, '', '', '3', 1, NULL, NULL),
(3528, 'Saikogenin F', '3b,16b,23-Trihydroxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@](C)(C)C[C@@]12[H])[C@@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:130][C@:84]13O[CH2:73][C@@:46]2([CH2:25][CH2:35][C@:32]([CH3:34])([CH3:24])[CH2:38][C@@:52]12[H])[C@@H:65](O)[CH2:35][C@@:45]3([CH3:21])[C@:42]4([CH3:20])[CH2:31][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:70]O)[C@@H:75](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:29 20.67 -5.81 C:30 19.06 -5.80 C:24 11.71 -15.27 C:25 13.70 -10.53 C:26 16.18 -10.53 C:27 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C:11 14.95 -9.81 C:12 16.19 -9.12 C:23 13.19 -15.32 C:2 11.28 -11.96 C:21 21.08 -7.71 C:6 14.95 -14.09 C:1 12.48 -11.23 C:7 16.19 -13.39 C:22 21.08 -9.12 C:28 19.45 -8.49 C:15 18.63 -11.96 C:19 18.63 -7.71 O 17.82 -8.49 C:3 11.28 -13.39 C:16 19.85 -11.23 C:20 19.85 -6.99 C:9 14.95 -11.23 C:5 13.70 -13.39 C:18 18.63 -9.12 C:4 12.48 -14.09 C:10 13.70 -11.96 C:8 16.19 -11.96 C:14 17.40 -11.23 C:13 17.40 -9.81 C:17 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C 20.67 -5.81 C 19.06 -5.80 C 11.71 -15.27 C 13.70 -10.53 C 16.18 -10.53 C 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C 14.95 -9.81 C 16.19 -9.12 C 13.19 -15.32 C 11.28 -11.96 C 21.08 -7.71 C 14.95 -14.09 C 12.48 -11.23 C 16.19 -13.39 C 21.08 -9.12 C 19.45 -8.49 C 18.63 -11.96 C 18.63 -7.71 O 17.82 -8.49 C 11.28 -13.39 C 19.85 -11.23 C 19.85 -6.99 C 14.95 -11.23 C 13.70 -13.39 C 18.63 -9.12 C 12.48 -14.09 C 13.70 -11.96 C 16.19 -11.96 C 17.40 -11.23 C 17.40 -9.81 C 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:34 20.67 -5.81 C:24 19.06 -5.80 C:11 11.71 -15.27 C:18 13.70 -10.53 C:20 16.18 -10.53 C:21 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 21.07 -11.92 C:133 14.95 -9.81 C:130 16.19 -9.12 C:70 13.19 -15.32 C:26 11.28 -11.96 C:35 21.08 -7.71 C:18 14.95 -14.09 C:38 12.48 -11.23 C:31 16.19 -13.39 C:25 21.08 -9.12 C:73 19.45 -8.49 C:35 18.63 -11.96 C:38 18.63 -7.71 O 17.82 -8.49 C:75 11.28 -13.39 C:65 19.85 -11.23 C:32 19.85 -6.99 C:53 14.95 -11.23 C:49 13.70 -13.39 C:52 18.63 -9.12 C:42 12.48 -14.09 C:36 13.70 -11.96 C:42 16.19 -11.96 C:45 17.40 -11.23 C:84 17.40 -9.81 C:46 19.85 -9.81 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', 'C30H48O4', 472.342, 'P', 'M-126', 1412, '', '', '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
(3529, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([C@@H:22](O)[CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2([C@@H](O)C[C@](C)(C)C[C@@]12[H])[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:130][C@:86]13O[CH2:77][C@@:48]2([C@@H:74](O)[CH2:46][C@:33]([CH3:33])([CH3:25])[CH2:37][C@@:50]12[H])[C@H:71](O)[CH2:34][C@@:44]3([CH3:18])[C@:42]4([CH3:19])[CH2:32][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:70]O)[C@@H:75](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '38 43 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:29 20.67 -5.81 C:30 19.06 -5.80 C:24 11.71 -15.27 C:25 13.70 -10.53 C:26 16.18 -10.53 C:27 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 22.30 -9.82 O 21.07 -11.92 C:11 14.95 -9.81 C:12 16.19 -9.12 C:23 13.19 -15.32 C:2 11.28 -11.96 C:6 14.95 -14.09 C:1 12.48 -11.23 C:7 16.19 -13.39 C:28 19.45 -8.49 C:21 21.08 -7.71 C:15 18.63 -11.96 C:19 18.63 -7.71 O 17.82 -8.49 C:3 11.28 -13.39 C:22 21.08 -9.12 C:16 19.85 -11.23 C:20 19.85 -6.99 C:9 14.95 -11.23 C:5 13.70 -13.39 C:18 18.63 -9.12 C:4 12.48 -14.09 C:10 13.70 -11.96 C:8 16.19 -11.96 C:14 17.40 -11.23 C:13 17.40 -9.81 C:17 19.85 -9.81 30 1 -2 31 2 -2 32 3 -1 29 4 -2 29 5 -1 33 6 -1 34 7 -1 35 8 -1 36 9 -2 10 16 1 26 11 -1 27 12 -2 28 13 -2 14 15 2 14 30 1 15 37 1 33 16 -2 17 19 1 17 26 1 18 20 1 18 31 1 19 34 1 20 35 1 21 25 1 38 21 -1 22 27 1 22 29 1 23 28 1 23 36 1 24 29 1 24 32 1 37 25 -1 26 33 1 27 38 1 28 38 1 30 34 1 30 35 1 31 33 1 31 34 1 32 37 1 32 38 1 35 36 1 36 37 1', '38 43 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C 20.67 -5.81 C 19.06 -5.80 C 11.71 -15.27 C 13.70 -10.53 C 16.18 -10.53 C 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 22.30 -9.82 O 21.07 -11.92 C 14.95 -9.81 C 16.19 -9.12 C 13.19 -15.32 C 11.28 -11.96 C 14.95 -14.09 C 12.48 -11.23 C 16.19 -13.39 C 19.45 -8.49 C 21.08 -7.71 C 18.63 -11.96 C 18.63 -7.71 O 17.82 -8.49 C 11.28 -13.39 C 21.08 -9.12 C 19.85 -11.23 C 19.85 -6.99 C 14.95 -11.23 C 13.70 -13.39 C 18.63 -9.12 C 12.48 -14.09 C 13.70 -11.96 C 16.19 -11.96 C 17.40 -11.23 C 17.40 -9.81 C 19.85 -9.81 30 1 -2 31 2 -2 32 3 -1 29 4 -2 29 5 -1 33 6 -1 34 7 -1 35 8 -1 36 9 -2 10 16 1 26 11 -1 27 12 -2 28 13 -2 14 15 2 14 30 1 15 37 1 33 16 -2 17 19 1 17 26 1 18 20 1 18 31 1 19 34 1 20 35 1 21 25 1 38 21 -1 22 27 1 22 29 1 23 28 1 23 36 1 24 29 1 24 32 1 37 25 -1 26 33 1 27 38 1 28 38 1 30 34 1 30 35 1 31 33 1 31 34 1 32 37 1 32 38 1 35 36 1 36 37 1', '38 43 H 14.98 -12.23 H 13.70 -14.45 H 18.63 -10.40 C:33 20.67 -5.81 C:25 19.06 -5.80 C:11 11.71 -15.27 C:18 13.70 -10.53 C:19 16.18 -10.53 C:18 17.42 -12.67 O 12.51 -16.53 O 10.09 -14.11 O 22.30 -9.82 O 21.07 -11.92 C:133 14.95 -9.81 C:130 16.19 -9.12 C:70 13.19 -15.32 C:26 11.28 -11.96 C:18 14.95 -14.09 C:38 12.48 -11.23 C:32 16.19 -13.39 C:77 19.45 -8.49 C:46 21.08 -7.71 C:34 18.63 -11.96 C:37 18.63 -7.71 O 17.82 -8.49 C:75 11.28 -13.39 C:74 21.08 -9.12 C:71 19.85 -11.23 C:33 19.85 -6.99 C:53 14.95 -11.23 C:49 13.70 -13.39 C:50 18.63 -9.12 C:42 12.48 -14.09 C:36 13.70 -11.96 C:42 16.19 -11.96 C:44 17.40 -11.23 C:86 17.40 -9.81 C:48 19.85 -9.81 30 1 -2 31 2 -2 32 3 -1 29 4 -2 29 5 -1 33 6 -1 34 7 -1 35 8 -1 36 9 -2 10 16 1 26 11 -1 27 12 -2 28 13 -2 14 15 2 14 30 1 15 37 1 33 16 -2 17 19 1 17 26 1 18 20 1 18 31 1 19 34 1 20 35 1 21 25 1 38 21 -1 22 27 1 22 29 1 23 28 1 23 36 1 24 29 1 24 32 1 37 25 -1 26 33 1 27 38 1 28 38 1 30 34 1 30 35 1 31 33 1 31 34 1 32 37 1 32 38 1 35 36 1 36 37 1', 'C30H48O5', 488.342, 'C', 'M-127', 2286, '', '', '3', 1, NULL, NULL),
(3530, '', 'protoprimulagenin A', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]24O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]24OC[C@@]1(CC[C@](C)(C)C[C@]12[H])[C@H](O)C[C@@]34C)[C@@]5(C)CC[C@H](O)[C@]6(C)C', '[H][C@@:56]56[CH2:18][CH2:32][C@:43]3([CH3:19])[C@:51]([H])([CH2:19][CH2:35][C@:87]24O[CH2:78][C@@:45]1([CH2:33][CH2:37][C@:32]([CH3:34])([CH3:25])[CH2:39][C@:52]12[H])[C@H:77](O)[CH2:37][C@@:45]34[CH3:20])[C@@:37]5([CH3:16])[CH2:40][CH2:29][C@H:78](O)[C@:40]6([CH3:29])[CH3:17]', '36 41 H 13.70 -14.45 H 14.98 -12.23 H 18.63 -10.40 C:29 20.67 -5.81 C:30 19.06 -5.80 C:23 13.19 -15.32 C:24 11.71 -15.27 C:25 13.70 -10.53 C:26 16.18 -10.53 C:27 17.42 -12.67 O 10.09 -14.11 O 21.07 -11.92 C:2 11.28 -11.96 C:1 12.48 -11.23 C:21 21.08 -7.71 C:6 14.95 -14.09 C:11 14.95 -9.81 C:7 16.19 -13.39 C:22 21.08 -9.12 C:12 16.19 -9.12 C:28 19.45 -8.49 C:15 18.63 -11.96 C:19 18.63 -7.71 O 17.82 -8.49 C:3 11.28 -13.39 C:16 19.85 -11.23 C:20 19.85 -6.99 C:4 12.48 -14.09 C:5 13.70 -13.39 C:9 14.95 -11.23 C:18 18.63 -9.12 C:10 13.70 -11.96 C:8 16.19 -11.96 C:14 17.40 -11.23 C:17 19.85 -9.81 C:13 17.40 -9.81 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 14 1 13 25 1 14 32 1 15 19 1 15 27 1 16 18 1 16 29 1 17 20 1 17 30 1 18 33 1 19 35 1 20 36 1 21 24 1 35 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 36 24 -1 25 28 1 26 35 1 28 29 1 29 32 1 30 32 1 30 33 1 31 35 1 31 36 1 33 34 1 34 36 1', '36 41 H 13.70 -14.45 H 14.98 -12.23 H 18.63 -10.40 C 20.67 -5.81 C 19.06 -5.80 C 13.19 -15.32 C 11.71 -15.27 C 13.70 -10.53 C 16.18 -10.53 C 17.42 -12.67 O 10.09 -14.11 O 21.07 -11.92 C 11.28 -11.96 C 12.48 -11.23 C 21.08 -7.71 C 14.95 -14.09 C 14.95 -9.81 C 16.19 -13.39 C 21.08 -9.12 C 16.19 -9.12 C 19.45 -8.49 C 18.63 -11.96 C 18.63 -7.71 O 17.82 -8.49 C 11.28 -13.39 C 19.85 -11.23 C 19.85 -6.99 C 12.48 -14.09 C 13.70 -13.39 C 14.95 -11.23 C 18.63 -9.12 C 13.70 -11.96 C 16.19 -11.96 C 17.40 -11.23 C 19.85 -9.81 C 17.40 -9.81 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 14 1 13 25 1 14 32 1 15 19 1 15 27 1 16 18 1 16 29 1 17 20 1 17 30 1 18 33 1 19 35 1 20 36 1 21 24 1 35 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 36 24 -1 25 28 1 26 35 1 28 29 1 29 32 1 30 32 1 30 33 1 31 35 1 31 36 1 33 34 1 34 36 1', '36 41 H 13.70 -14.45 H 14.98 -12.23 H 18.63 -10.40 C:34 20.67 -5.81 C:25 19.06 -5.80 C:29 13.19 -15.32 C:17 11.71 -15.27 C:16 13.70 -10.53 C:19 16.18 -10.53 C:20 17.42 -12.67 O 10.09 -14.11 O 21.07 -11.92 C:29 11.28 -11.96 C:40 12.48 -11.23 C:37 21.08 -7.71 C:18 14.95 -14.09 C:19 14.95 -9.81 C:32 16.19 -13.39 C:33 21.08 -9.12 C:35 16.19 -9.12 C:78 19.45 -8.49 C:37 18.63 -11.96 C:39 18.63 -7.71 O 17.82 -8.49 C:78 11.28 -13.39 C:77 19.85 -11.23 C:32 19.85 -6.99 C:40 12.48 -14.09 C:56 13.70 -13.39 C:51 14.95 -11.23 C:52 18.63 -9.12 C:37 13.70 -11.96 C:43 16.19 -11.96 C:45 17.40 -11.23 C:45 19.85 -9.81 C:87 17.40 -9.81 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 14 1 13 25 1 14 32 1 15 19 1 15 27 1 16 18 1 16 29 1 17 20 1 17 30 1 18 33 1 19 35 1 20 36 1 21 24 1 35 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 36 24 -1 25 28 1 26 35 1 28 29 1 29 32 1 30 32 1 30 33 1 31 35 1 31 36 1 33 34 1 34 36 1', 'C30H50O3', 458.343, 'P', 'M-128', 1164, '', '', '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
(3543, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[C@@H:21](O[C:21001]([CH3:21002])=O)[CH2:22][CH:17]1[C:16](=O)[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])([CH:23]=O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(C)[C@@H](OC(C)=O)CC1C(=O)C[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(C=O)[C@]3([H])CC[C@]45C', '[H][C@@:36]12[CH2:43][C@:35]([CH3:19])([CH3:29])[C@@H:78](O[C:9999]([CH3:9999])=O)[CH2:28][CH:48]1[C:212](=O)[CH2:44][C@:43]5([CH3:26])[C:142]2=[CH:118][CH2:23][C@:47]4([H])[C@@:36]3([CH3:15])[CH2:38][CH2:22][C@H:73](O[C:9999]([CH3:9999])=O)[C@@:54]([CH3:9])([CH:204]=O)[C@:48]3([H])[CH2:21][CH2:32][C@:39]45[CH3:17]', '42 46 H 15.75 -7.65 H 12.08 -9.51 H 10.79 -11.72 C:21002 21.85 -4.25 C:29 17.82 -3.06 C:30 16.18 -3.05 C:27 14.54 -9.95 C:24 8.81 -12.56 C:26 13.30 -7.78 C:25 10.79 -7.78 O 11.60 -13.06 O 20.64 -6.35 O 18.21 -9.17 O 7.18 -11.40 C:23 10.29 -12.61 C:12 13.29 -6.39 C:2 8.38 -9.22 C:11 12.05 -7.07 C:1 9.58 -8.49 C:6 12.05 -11.36 C:7 13.29 -10.67 C:22 18.23 -6.39 C:15 15.75 -9.22 C:19 15.75 -4.95 O 19.43 -4.25 C:21001 20.64 -4.95 C:16 16.99 -8.49 C:13 14.52 -7.07 C:3 8.38 -10.67 C:21 18.23 -4.95 C:17 16.99 -7.07 C:20 16.99 -4.22 C:18 15.75 -6.39 C:14 14.52 -8.49 C:9 12.05 -8.49 C:5 10.79 -10.67 C:4 9.58 -11.36 C:8 13.29 -9.22 C:10 10.79 -9.22 C:3001 5.95 -10.75 C:3002 4.76 -11.48 O 5.92 -9.35 33 1 -1 35 2 -2 36 3 -2 4 26 1 32 5 -2 32 6 -1 34 7 -2 37 8 -1 38 9 -1 39 10 -1 11 15 2 12 26 2 13 27 2 29 14 -1 37 15 -2 16 18 1 16 28 2 17 19 1 17 29 1 18 35 1 19 39 1 20 21 1 20 36 1 21 38 1 22 30 1 22 31 1 23 27 1 23 34 1 24 32 1 24 33 1 25 26 1 30 25 -1 27 31 1 28 33 1 28 34 1 29 37 1 30 32 1 31 33 1 34 38 1 35 38 1 35 39 1 36 37 1 36 39 1 14 40 1 40 41 1 40 42 2', '42 46 H 15.75 -7.65 H 12.08 -9.51 H 10.79 -11.72 C 21.85 -4.25 C 17.82 -3.06 C 16.18 -3.05 C 14.54 -9.95 C 8.81 -12.56 C 13.30 -7.78 C 10.79 -7.78 O 11.60 -13.06 O 20.64 -6.35 O 18.21 -9.17 O 7.18 -11.40 C 10.29 -12.61 C 13.29 -6.39 C 8.38 -9.22 C 12.05 -7.07 C 9.58 -8.49 C 12.05 -11.36 C 13.29 -10.67 C 18.23 -6.39 C 15.75 -9.22 C 15.75 -4.95 O 19.43 -4.25 C 20.64 -4.95 C 16.99 -8.49 C 14.52 -7.07 C 8.38 -10.67 C 18.23 -4.95 C 16.99 -7.07 C 16.99 -4.22 C 15.75 -6.39 C 14.52 -8.49 C 12.05 -8.49 C 10.79 -10.67 C 9.58 -11.36 C 13.29 -9.22 C 10.79 -9.22 C 5.95 -10.75 C 4.76 -11.48 O 5.92 -9.35 33 1 -1 35 2 -2 36 3 -2 4 26 1 32 5 -2 32 6 -1 34 7 -2 37 8 -1 38 9 -1 39 10 -1 11 15 2 12 26 2 13 27 2 29 14 -1 37 15 -2 16 18 1 16 28 2 17 19 1 17 29 1 18 35 1 19 39 1 20 21 1 20 36 1 21 38 1 22 30 1 22 31 1 23 27 1 23 34 1 24 32 1 24 33 1 25 26 1 30 25 -1 27 31 1 28 33 1 28 34 1 29 37 1 30 32 1 31 33 1 34 38 1 35 38 1 35 39 1 36 37 1 36 39 1 14 40 1 40 41 1 40 42 2', '42 46 H 15.75 -7.65 H 12.08 -9.51 H 10.79 -11.72 C 21.85 -4.25 C:29 17.82 -3.06 C:19 16.18 -3.05 C:26 14.54 -9.95 C:9 8.81 -12.56 C:17 13.30 -7.78 C:15 10.79 -7.78 O 11.60 -13.06 O 20.64 -6.35 O 18.21 -9.17 O 7.18 -11.40 C:204 10.29 -12.61 C:118 13.29 -6.39 C:22 8.38 -9.22 C:23 12.05 -7.07 C:38 9.58 -8.49 C:21 12.05 -11.36 C:32 13.29 -10.67 C:28 18.23 -6.39 C:44 15.75 -9.22 C:43 15.75 -4.95 O 19.43 -4.25 C 20.64 -4.95 C:212 16.99 -8.49 C:142 14.52 -7.07 C:73 8.38 -10.67 C:78 18.23 -4.95 C:48 16.99 -7.07 C:35 16.99 -4.22 C:36 15.75 -6.39 C:43 14.52 -8.49 C:47 12.05 -8.49 C:48 10.79 -10.67 C:54 9.58 -11.36 C:39 13.29 -9.22 C:36 10.79 -9.22 C 5.95 -10.75 C 4.76 -11.48 O 5.92 -9.35 33 1 -1 35 2 -2 36 3 -2 4 26 1 32 5 -2 32 6 -1 34 7 -2 37 8 -1 38 9 -1 39 10 -1 11 15 2 12 26 2 13 27 2 29 14 -1 37 15 -2 16 18 1 16 28 2 17 19 1 17 29 1 18 35 1 19 39 1 20 21 1 20 36 1 21 38 1 22 30 1 22 31 1 23 27 1 23 34 1 24 32 1 24 33 1 25 26 1 30 25 -1 27 31 1 28 33 1 28 34 1 29 37 1 30 32 1 31 33 1 34 38 1 35 38 1 35 39 1 36 37 1 36 39 1 14 40 1 40 41 1 40 42 2', 'C33H48O6', 540.373, 'C', 'M-142', 329, '', '', '3', 1, NULL, NULL),
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