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
(2845, '', '19,24-Dihydroxyurs-12-en-3-one-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]1([CH3:26])[C@:9]([H])([CH2:11][CH:12]=[C:13]2[C@@:14]1([CH3:27])[CH2:15][CH2:16][C@@:17]3([C:28](=O)O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@:4]5([CH3:23])[CH2:24]O', '[H][C@@]45CC[C@]1(C)[C@]([H])(CC=C2[C@@]1(C)CC[C@@]3(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@@]4(C)CCC(=O)[C@]5(C)CO', '[H][C@@:58]45[CH2:20][CH2:34][C@:40]1([CH3:17])[C@:47]([H])([CH2:24][CH:128]=[C:140]2[C@@:42]1([CH3:25])[CH2:29][CH2:26][C@@:48]3([C:181](=O)O)[CH2:39][CH2:27][C@@H:42]([CH3:17])[C@@:73]([CH3:27])(O)[C@@:55]23[H])[C@@:37]4([CH3:16])[CH2:40][CH2:36][C:215](=O)[C@:55]5([CH3:21])[CH2:65]O', '38 42 H 13.12 -14.55 H 14.34 -12.34 H 18.03 -10.39 C:30 19.26 -5.61 C:29 17.55 -6.45 C:23 12.71 -15.32 C:27 16.79 -12.71 C:25 13.12 -10.60 C:26 15.58 -10.60 O 21.70 -9.88 O 9.44 -14.12 O 9.57 -15.16 O 20.48 -11.98 O 16.69 -8.14 C:12 15.58 -9.16 C:24 10.96 -15.34 C:2 10.66 -12.03 C:21 20.52 -7.76 C:11 14.34 -9.88 C:1 11.88 -11.31 C:22 20.52 -9.16 C:6 14.34 -14.15 C:15 18.03 -12.03 C:7 15.58 -13.43 C:16 19.27 -11.31 C:28 20.48 -10.58 C:3 10.66 -13.43 C:13 16.79 -9.88 C:20 19.27 -7.03 C:19 18.03 -7.76 C:5 13.12 -13.43 C:9 14.34 -11.31 C:4 11.88 -14.15 C:14 16.79 -11.31 C:18 18.03 -9.16 C:10 13.12 -12.03 C:8 15.58 -12.03 C:17 19.27 -9.88 31 1 -2 32 2 -2 35 3 -1 29 4 -2 30 5 -1 33 6 -2 34 7 -2 36 8 -1 37 9 -1 10 26 2 11 27 2 12 16 1 13 26 1 30 14 -2 15 19 1 15 28 2 33 16 -1 17 20 1 17 27 1 18 21 1 18 29 1 19 32 1 20 36 1 21 38 1 22 24 1 22 31 1 23 25 1 23 34 1 24 37 1 25 38 1 38 26 -1 27 33 1 28 34 1 28 35 1 29 30 1 30 35 1 31 33 1 31 36 1 32 36 1 32 37 1 34 37 1 35 38 1', '38 42 H 13.12 -14.55 H 14.34 -12.34 H 18.03 -10.39 C 19.26 -5.61 C 17.55 -6.45 C 12.71 -15.32 C 16.79 -12.71 C 13.12 -10.60 C 15.58 -10.60 O 21.70 -9.88 O 9.44 -14.12 O 9.57 -15.16 O 20.48 -11.98 O 16.69 -8.14 C 15.58 -9.16 C 10.96 -15.34 C 10.66 -12.03 C 20.52 -7.76 C 14.34 -9.88 C 11.88 -11.31 C 20.52 -9.16 C 14.34 -14.15 C 18.03 -12.03 C 15.58 -13.43 C 19.27 -11.31 C 20.48 -10.58 C 10.66 -13.43 C 16.79 -9.88 C 19.27 -7.03 C 18.03 -7.76 C 13.12 -13.43 C 14.34 -11.31 C 11.88 -14.15 C 16.79 -11.31 C 18.03 -9.16 C 13.12 -12.03 C 15.58 -12.03 C 19.27 -9.88 31 1 -2 32 2 -2 35 3 -1 29 4 -2 30 5 -1 33 6 -2 34 7 -2 36 8 -1 37 9 -1 10 26 2 11 27 2 12 16 1 13 26 1 30 14 -2 15 19 1 15 28 2 33 16 -1 17 20 1 17 27 1 18 21 1 18 29 1 19 32 1 20 36 1 21 38 1 22 24 1 22 31 1 23 25 1 23 34 1 24 37 1 25 38 1 38 26 -1 27 33 1 28 34 1 28 35 1 29 30 1 30 35 1 31 33 1 31 36 1 32 36 1 32 37 1 34 37 1 35 38 1', '38 42 H 13.12 -14.55 H 14.34 -12.34 H 18.03 -10.39 C:17 19.26 -5.61 C:27 17.55 -6.45 C:21 12.71 -15.32 C:25 16.79 -12.71 C:16 13.12 -10.60 C:17 15.58 -10.60 O 21.70 -9.88 O 9.44 -14.12 O 9.57 -15.16 O 20.48 -11.98 O 16.69 -8.14 C:128 15.58 -9.16 C:65 10.96 -15.34 C:36 10.66 -12.03 C:27 20.52 -7.76 C:24 14.34 -9.88 C:40 11.88 -11.31 C:39 20.52 -9.16 C:20 14.34 -14.15 C:29 18.03 -12.03 C:34 15.58 -13.43 C:26 19.27 -11.31 C:181 20.48 -10.58 C:215 10.66 -13.43 C:140 16.79 -9.88 C:42 19.27 -7.03 C:73 18.03 -7.76 C:58 13.12 -13.43 C:47 14.34 -11.31 C:55 11.88 -14.15 C:42 16.79 -11.31 C:55 18.03 -9.16 C:37 13.12 -12.03 C:40 15.58 -12.03 C:48 19.27 -9.88 31 1 -2 32 2 -2 35 3 -1 29 4 -2 30 5 -1 33 6 -2 34 7 -2 36 8 -1 37 9 -1 10 26 2 11 27 2 12 16 1 13 26 1 30 14 -2 15 19 1 15 28 2 33 16 -1 17 20 1 17 27 1 18 21 1 18 29 1 19 32 1 20 36 1 21 38 1 22 24 1 22 31 1 23 25 1 23 34 1 24 37 1 25 38 1 38 26 -1 27 33 1 28 34 1 28 35 1 29 30 1 30 35 1 31 33 1 31 36 1 32 36 1 32 37 1 34 37 1 35 38 1', 'C30H46O5', 486.342, 'P', 'ph_56_875_1', 2176, '', '', '1', 1, NULL, NULL),
(2846, 'Pomolic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]1([CH3:26])[C@:9]([H])([CH2:11][CH:12]=[C:13]2[C@@:14]1([CH3:27])[CH2:15][CH2:16][C@@:17]3([C:28](=O)O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@]1(C)[C@]([H])(CC=C2[C@@]1(C)CC[C@@]3(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@@]4(C)CC[C@H](O)[C@@]5(C)C', '[H][C@@:56]45[CH2:19][CH2:34][C@:40]1([CH3:17])[C@:48]([H])([CH2:24][CH:128]=[C:140]2[C@@:42]1([CH3:25])[CH2:29][CH2:27][C@@:48]3([C:181](=O)O)[CH2:37][CH2:27][C@@H:42]([CH3:16])[C@@:73]([CH3:27])(O)[C@@:55]23[H])[C@@:37]4([CH3:17])[CH2:39][CH2:28][C@H:78](O)[C@@:39]5([CH3:29])[CH3:16]', '37 41 H 13.68 -12.15 H 14.90 -9.94 H 18.59 -7.99 C:30 19.83 -3.20 C:29 18.11 -4.04 C:23 13.27 -12.92 C:27 17.35 -10.32 C:25 13.68 -8.20 C:26 16.15 -8.20 O 22.26 -7.49 O 21.04 -9.58 O 17.25 -5.74 C:12 16.15 -6.77 C:24 11.52 -12.94 C:2 11.22 -9.63 C:21 21.08 -5.35 C:11 14.90 -7.49 C:1 12.45 -8.91 C:22 21.08 -6.77 C:6 14.90 -11.75 C:15 18.59 -9.63 C:7 16.15 -11.04 C:16 19.84 -8.91 C:28 21.04 -8.18 C:3 11.22 -11.04 C:13 17.35 -7.49 C:20 19.84 -4.61 C:19 18.59 -5.35 C:5 13.68 -11.04 C:9 14.90 -8.91 C:4 12.45 -11.75 C:14 17.35 -8.91 C:18 18.59 -6.77 C:10 13.68 -9.63 C:8 16.15 -9.63 C:17 19.84 -7.49 O 10.00 -11.72 29 1 -2 30 2 -2 33 3 -1 27 4 -2 28 5 -1 31 6 -2 32 7 -2 34 8 -1 35 9 -1 10 24 2 11 24 1 28 12 -2 13 17 1 13 26 2 31 14 -1 15 18 1 15 25 1 16 19 1 16 27 1 17 30 1 18 34 1 19 36 1 20 22 1 20 29 1 21 23 1 21 32 1 22 35 1 23 36 1 36 24 -1 25 31 1 26 32 1 26 33 1 27 28 1 28 33 1 29 31 1 29 34 1 30 34 1 30 35 1 32 35 1 33 36 1 25 37 -1', '37 41 H 13.68 -12.15 H 14.90 -9.94 H 18.59 -7.99 C 19.83 -3.20 C 18.11 -4.04 C 13.27 -12.92 C 17.35 -10.32 C 13.68 -8.20 C 16.15 -8.20 O 22.26 -7.49 O 21.04 -9.58 O 17.25 -5.74 C 16.15 -6.77 C 11.52 -12.94 C 11.22 -9.63 C 21.08 -5.35 C 14.90 -7.49 C 12.45 -8.91 C 21.08 -6.77 C 14.90 -11.75 C 18.59 -9.63 C 16.15 -11.04 C 19.84 -8.91 C 21.04 -8.18 C 11.22 -11.04 C 17.35 -7.49 C 19.84 -4.61 C 18.59 -5.35 C 13.68 -11.04 C 14.90 -8.91 C 12.45 -11.75 C 17.35 -8.91 C 18.59 -6.77 C 13.68 -9.63 C 16.15 -9.63 C 19.84 -7.49 O 10.00 -11.72 29 1 -2 30 2 -2 33 3 -1 27 4 -2 28 5 -1 31 6 -2 32 7 -2 34 8 -1 35 9 -1 10 24 2 11 24 1 28 12 -2 13 17 1 13 26 2 31 14 -1 15 18 1 15 25 1 16 19 1 16 27 1 17 30 1 18 34 1 19 36 1 20 22 1 20 29 1 21 23 1 21 32 1 22 35 1 23 36 1 36 24 -1 25 31 1 26 32 1 26 33 1 27 28 1 28 33 1 29 31 1 29 34 1 30 34 1 30 35 1 32 35 1 33 36 1 25 37 -1', '37 41 H 13.68 -12.15 H 14.90 -9.94 H 18.59 -7.99 C:16 19.83 -3.20 C:27 18.11 -4.04 C:16 13.27 -12.92 C:25 17.35 -10.32 C:17 13.68 -8.20 C:17 16.15 -8.20 O 22.26 -7.49 O 21.04 -9.58 O 17.25 -5.74 C:128 16.15 -6.77 C:29 11.52 -12.94 C:28 11.22 -9.63 C:27 21.08 -5.35 C:24 14.90 -7.49 C:39 12.45 -8.91 C:37 21.08 -6.77 C:19 14.90 -11.75 C:29 18.59 -9.63 C:34 16.15 -11.04 C:27 19.84 -8.91 C:181 21.04 -8.18 C:78 11.22 -11.04 C:140 17.35 -7.49 C:42 19.84 -4.61 C:73 18.59 -5.35 C:56 13.68 -11.04 C:48 14.90 -8.91 C:39 12.45 -11.75 C:42 17.35 -8.91 C:55 18.59 -6.77 C:37 13.68 -9.63 C:40 16.15 -9.63 C:48 19.84 -7.49 O 10.00 -11.72 29 1 -2 30 2 -2 33 3 -1 27 4 -2 28 5 -1 31 6 -2 32 7 -2 34 8 -1 35 9 -1 10 24 2 11 24 1 28 12 -2 13 17 1 13 26 2 31 14 -1 15 18 1 15 25 1 16 19 1 16 27 1 17 30 1 18 34 1 19 36 1 20 22 1 20 29 1 21 23 1 21 32 1 22 35 1 23 36 1 36 24 -1 25 31 1 26 32 1 26 33 1 27 28 1 28 33 1 29 31 1 29 34 1 30 34 1 30 35 1 32 35 1 33 36 1 25 37 -1', 'C30H48O4', 472.342, 'P', 'ph_56_875_4', 2176, '', '', '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
(2857, '', '3b,6b-Dihydroxytaraxasta-20-ene', 'Terpenoids', 'Triterpenoids', 'Taraxastanes', '[H][C@:9]34[CH2:11][CH2:12][C@@:13]2([H])[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]1([CH3:28])[CH2:22][CH:21]=[C:20]([CH3:30])[C@@H:19]([CH3:29])[C@:18]12[H])[C@:8]3([CH3:26])[CH2:7][C@@H:6](O)[C@@:5]5([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34CC[C@@]2([H])[C@@](C)(CC[C@@]1(C)CC=C(C)[C@@H](C)[C@]12[H])[C@]3(C)C[C@@H](O)[C@@]5([H])[C@@](C)(C)[C@@H](O)CC[C@]45C', '[H][C@:51]34[CH2:22][CH2:28][C@@:38]2([H])[C@@:43]([CH3:15])([CH2:27][CH2:37][C@@:34]1([CH3:18])[CH2:42][CH:119]=[C:140]([CH3:22])[C@@H:36]([CH3:23])[C@:49]12[H])[C@:41]3([CH3:17])[CH2:42][C@@H:69](O)[C@@:56]5([H])[C@@:40]([CH3:28])([CH3:17])[C@@H:79](O)[CH2:28][CH2:41][C@:37]45[CH3:18]', '36 40 H 14.94 -12.93 H 17.40 -9.30 H 18.64 -10.98 H 13.72 -15.15 C:30 19.88 -6.18 C:29 17.40 -7.60 C:23 13.31 -15.92 C:24 11.55 -15.94 C:28 19.89 -9.04 C:27 17.40 -13.31 C:25 13.72 -11.19 C:26 16.19 -11.19 O 10.03 -14.72 O 14.94 -16.15 C:21 21.14 -8.33 C:22 21.14 -9.75 C:2 11.25 -12.62 C:16 19.89 -11.90 C:1 12.48 -11.90 C:11 14.94 -10.47 C:12 16.19 -9.75 C:15 18.64 -12.62 C:7 16.19 -14.03 C:20 19.89 -7.60 C:19 18.64 -8.33 C:3 11.25 -14.03 C:6 14.94 -14.75 C:4 12.48 -14.75 C:17 19.89 -10.47 C:9 14.94 -11.90 C:13 17.40 -10.47 C:14 17.40 -11.90 C:10 13.72 -12.62 C:8 16.19 -12.62 C:18 18.64 -9.75 C:5 13.72 -14.03 30 1 -2 31 2 -1 35 3 -1 36 4 -2 5 24 1 25 6 -2 28 7 -2 28 8 -1 29 9 -1 32 10 -2 33 11 -1 34 12 -1 26 13 -1 27 14 -1 15 16 1 15 24 2 16 29 1 17 19 1 17 26 1 18 22 1 18 29 1 19 33 1 20 21 1 20 30 1 21 31 1 22 32 1 23 27 1 23 34 1 24 25 1 25 35 1 26 28 1 27 36 1 28 36 1 29 35 1 30 33 1 30 34 1 31 32 1 31 35 1 32 34 1 33 36 1', '36 40 H 14.94 -12.93 H 17.40 -9.30 H 18.64 -10.98 H 13.72 -15.15 C 19.88 -6.18 C 17.40 -7.60 C 13.31 -15.92 C 11.55 -15.94 C 19.89 -9.04 C 17.40 -13.31 C 13.72 -11.19 C 16.19 -11.19 O 10.03 -14.72 O 14.94 -16.15 C 21.14 -8.33 C 21.14 -9.75 C 11.25 -12.62 C 19.89 -11.90 C 12.48 -11.90 C 14.94 -10.47 C 16.19 -9.75 C 18.64 -12.62 C 16.19 -14.03 C 19.89 -7.60 C 18.64 -8.33 C 11.25 -14.03 C 14.94 -14.75 C 12.48 -14.75 C 19.89 -10.47 C 14.94 -11.90 C 17.40 -10.47 C 17.40 -11.90 C 13.72 -12.62 C 16.19 -12.62 C 18.64 -9.75 C 13.72 -14.03 30 1 -2 31 2 -1 35 3 -1 36 4 -2 5 24 1 25 6 -2 28 7 -2 28 8 -1 29 9 -1 32 10 -2 33 11 -1 34 12 -1 26 13 -1 27 14 -1 15 16 1 15 24 2 16 29 1 17 19 1 17 26 1 18 22 1 18 29 1 19 33 1 20 21 1 20 30 1 21 31 1 22 32 1 23 27 1 23 34 1 24 25 1 25 35 1 26 28 1 27 36 1 28 36 1 29 35 1 30 33 1 30 34 1 31 32 1 31 35 1 32 34 1 33 36 1', '36 40 H 14.94 -12.93 H 17.40 -9.30 H 18.64 -10.98 H 13.72 -15.15 C:22 19.88 -6.18 C:23 17.40 -7.60 C:28 13.31 -15.92 C:17 11.55 -15.94 C:18 19.89 -9.04 C:15 17.40 -13.31 C:18 13.72 -11.19 C:17 16.19 -11.19 O 10.03 -14.72 O 14.94 -16.15 C:119 21.14 -8.33 C:42 21.14 -9.75 C:28 11.25 -12.62 C:37 19.89 -11.90 C:41 12.48 -11.90 C:22 14.94 -10.47 C:28 16.19 -9.75 C:27 18.64 -12.62 C:42 16.19 -14.03 C:140 19.89 -7.60 C:36 18.64 -8.33 C:79 11.25 -14.03 C:69 14.94 -14.75 C:40 12.48 -14.75 C:34 19.89 -10.47 C:51 14.94 -11.90 C:38 17.40 -10.47 C:43 17.40 -11.90 C:37 13.72 -12.62 C:41 16.19 -12.62 C:49 18.64 -9.75 C:56 13.72 -14.03 30 1 -2 31 2 -1 35 3 -1 36 4 -2 5 24 1 25 6 -2 28 7 -2 28 8 -1 29 9 -1 32 10 -2 33 11 -1 34 12 -1 26 13 -1 27 14 -1 15 16 1 15 24 2 16 29 1 17 19 1 17 26 1 18 22 1 18 29 1 19 33 1 20 21 1 20 30 1 21 31 1 22 32 1 23 27 1 23 34 1 24 25 1 25 35 1 26 28 1 27 36 1 28 36 1 29 35 1 30 33 1 30 34 1 31 32 1 31 35 1 32 34 1 33 36 1', 'C30H50O2', 442.352, 'C', 'ph_52_1345_4', 629, '', '', '1', 1, NULL, NULL),
(2858, '', '2a,3b,19a-Trihydroxyurs-12-ene-23,28-dioic acid-23-methyl ester-28-O-(6''-O-methyl-b_D-glucopyranosyl) ester', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]45[CH2:11][CH:12]=[C:13]2[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]3([C:28](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O[CH3:106001])[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@:5]6([H])[C@:10]5([CH3:25])[CH2:1][C@@H:2](O)[C@H:3](O)[C@@:4]6([CH3:24])[C:23](=O)O[CH3:23001]', '[H][C@]45CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](COC)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@]6([H])[C@]5(C)C[C@@H](O)[C@H](O)[C@@]6(C)C(=O)OC', '[H][C@:48]45[CH2:24][CH:128]=[C:139]2[C@@:42]([CH3:24])([CH2:29][CH2:26][C@@:49]3([C:177](=O)O[C@@H:96]1O[C@H:79]([CH2:73]O[CH3:59])[C@@H:71](O)[C@H:78](O)[C@H:74]1O)[CH2:38][CH2:27][C@@H:42]([CH3:17])[C@@:72]([CH3:27])(O)[C@@:54]23[H])[C@:41]4([CH3:17])[CH2:33][CH2:21][C@:52]6([H])[C@:38]5([CH3:17])[CH2:48][C@@H:68](O)[C@H:81](O)[C@@:55]6([CH3:13])[C:178](=O)O[CH3:52]', '53 58 H 14.66 -10.75 H 13.44 -12.96 H 18.33 -8.81 C:106001 28.05 -10.37 C:23001 13.45 -15.97 C:30 19.56 -4.03 C:29 17.27 -5.04 C:27 17.10 -11.13 C:26 15.89 -9.02 C:25 13.44 -9.02 C:24 11.28 -13.75 O 14.43 -13.72 O 21.99 -8.30 O 9.77 -9.76 O 23.22 -14.59 O 25.64 -13.18 O 20.80 -13.19 O 9.77 -12.53 O 16.98 -6.53 C:12 15.89 -7.59 C:21 20.82 -6.17 C:11 14.66 -8.30 C:22 20.82 -7.59 C:15 18.33 -10.44 C:6 14.66 -12.56 C:7 15.89 -11.84 C:16 19.57 -9.72 C:106 25.63 -10.38 C:1 12.21 -9.72 O 26.85 -11.08 O 12.45 -15.00 O 20.79 -10.39 O 23.21 -10.39 C:23 13.03 -13.73 C:28 20.79 -9.00 C:13 17.10 -8.30 C:20 19.57 -5.44 C:2 10.99 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(2868, '', 'Methyl 3-ketoursa-11,13(18) dien-28 oate', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH:11]=[CH:12][C:13]2=[C:18]1[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:24])([CH3:23])[C:3](=O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34C=CC2=C1[C@@H](C)[C@H](C)CC[C@]1(C(=O)OC)CC[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@](C)(C)C(=O)CC[C@]45C', '[H][C@:25]34[CH:126]=[CH:126][C:132]2=[C:136]1[C@@H:36]([CH3:26])[C@H:41]([CH3:16])[CH2:26][CH2:39][C@:47]1([C:179](=O)O[CH3:52])[CH2:25][CH2:26][C@@:42]2([CH3:24])[C@:41]3([CH3:20])[CH2:32][CH2:19][C@@:55]5([H])[C@:47]([CH3:21])([CH3:26])[C:217](=O)[CH2:34][CH2:40][C@:39]45[CH3:17]', '36 40 H 14.26 -13.06 H 13.05 -15.27 C:28001 21.73 -13.27 C:30 19.18 -6.33 C:29 16.71 -7.79 C:23 10.95 -15.97 C:24 12.75 -15.90 C:27 16.72 -13.44 C:25 13.05 -11.32 C:26 15.51 -11.32 O 9.38 -14.84 O 21.60 -10.50 C:12 15.51 -9.89 C:11 14.26 -10.60 C:2 10.60 -12.75 C:21 20.43 -8.47 C:1 11.81 -12.03 C:22 20.43 -9.89 C:6 14.26 -14.87 C:15 17.94 -12.75 C:7 15.51 -14.15 C:16 19.19 -12.03 O 20.45 -12.64 C:3 10.60 -14.15 C:28 20.42 -11.25 C:13 16.72 -10.60 C:18 17.94 -9.89 C:20 19.19 -7.74 C:19 17.94 -8.47 C:4 11.81 -14.87 C:9 14.26 -12.03 C:5 13.05 -14.15 C:14 16.72 -12.03 C:10 13.05 -12.75 C:8 15.51 -12.75 C:17 19.19 -10.60 31 1 -2 32 2 -2 3 23 1 28 4 -2 29 5 -1 30 6 -2 30 7 -1 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 25 2 13 14 2 13 26 1 14 31 1 15 17 1 15 24 1 16 18 1 16 28 1 17 34 1 18 36 1 19 21 1 19 32 1 20 22 1 20 33 1 21 35 1 22 36 1 23 25 1 24 30 1 36 25 -1 26 27 2 26 33 1 27 29 1 27 36 1 28 29 1 30 32 1 31 34 1 31 35 1 32 34 1 33 35 1', '36 40 H 14.26 -13.06 H 13.05 -15.27 C 21.73 -13.27 C 19.18 -6.33 C 16.71 -7.79 C 10.95 -15.97 C 12.75 -15.90 C 16.72 -13.44 C 13.05 -11.32 C 15.51 -11.32 O 9.38 -14.84 O 21.60 -10.50 C 15.51 -9.89 C 14.26 -10.60 C 10.60 -12.75 C 20.43 -8.47 C 11.81 -12.03 C 20.43 -9.89 C 14.26 -14.87 C 17.94 -12.75 C 15.51 -14.15 C 19.19 -12.03 O 20.45 -12.64 C 10.60 -14.15 C 20.42 -11.25 C 16.72 -10.60 C 17.94 -9.89 C 19.19 -7.74 C 17.94 -8.47 C 11.81 -14.87 C 14.26 -12.03 C 13.05 -14.15 C 16.72 -12.03 C 13.05 -12.75 C 15.51 -12.75 C 19.19 -10.60 31 1 -2 32 2 -2 3 23 1 28 4 -2 29 5 -1 30 6 -2 30 7 -1 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 25 2 13 14 2 13 26 1 14 31 1 15 17 1 15 24 1 16 18 1 16 28 1 17 34 1 18 36 1 19 21 1 19 32 1 20 22 1 20 33 1 21 35 1 22 36 1 23 25 1 24 30 1 36 25 -1 26 27 2 26 33 1 27 29 1 27 36 1 28 29 1 30 32 1 31 34 1 31 35 1 32 34 1 33 35 1', '36 40 H 14.26 -13.06 H 13.05 -15.27 C:52 21.73 -13.27 C:16 19.18 -6.33 C:26 16.71 -7.79 C:26 10.95 -15.97 C:21 12.75 -15.90 C:24 16.72 -13.44 C:17 13.05 -11.32 C:20 15.51 -11.32 O 9.38 -14.84 O 21.60 -10.50 C:126 15.51 -9.89 C:126 14.26 -10.60 C:34 10.60 -12.75 C:26 20.43 -8.47 C:40 11.81 -12.03 C:39 20.43 -9.89 C:19 14.26 -14.87 C:26 17.94 -12.75 C:32 15.51 -14.15 C:25 19.19 -12.03 O 20.45 -12.64 C:217 10.60 -14.15 C:179 20.42 -11.25 C:132 16.72 -10.60 C:136 17.94 -9.89 C:41 19.19 -7.74 C:36 17.94 -8.47 C:47 11.81 -14.87 C:25 14.26 -12.03 C:55 13.05 -14.15 C:42 16.72 -12.03 C:39 13.05 -12.75 C:41 15.51 -12.75 C:47 19.19 -10.60 31 1 -2 32 2 -2 3 23 1 28 4 -2 29 5 -1 30 6 -2 30 7 -1 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 25 2 13 14 2 13 26 1 14 31 1 15 17 1 15 24 1 16 18 1 16 28 1 17 34 1 18 36 1 19 21 1 19 32 1 20 22 1 20 33 1 21 35 1 22 36 1 23 25 1 24 30 1 36 25 -1 26 27 2 26 33 1 27 29 1 27 36 1 28 29 1 30 32 1 31 34 1 31 35 1 32 34 1 33 35 1', 'C31H46O3', 466.346, 'C', 'ttr_54_2099_2', 2243, '', '', '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
(2869, '', 'Methyl A-neo-3-formylursa-11,13(18)-dien-28-oate', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH:11]=[CH:12][C:13]2=[C:18]1[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)[O:18][CH3:28001])[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])([CH3:24])[C@@H:3]([CH:2]=O)[CH2:1][C@:10]45[CH3:25]', '[H][C@]34C=CC2=C1[C@@H](C)[C@H](C)CC[C@]1(C(=O)OC)CC[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@@](C)(C)[C@@H](C=O)C[C@]45C', '[H][C@:25]34[CH:126]=[CH:126][C:132]2=[C:136]1[C@@H:36]([CH3:26])[C@H:41]([CH3:16])[CH2:26][CH2:39][C@:47]1([C:179](=O)[O:136][CH3:52])[CH2:25][CH2:26][C@@:42]2([CH3:24])[C@:41]3([CH3:20])[CH2:32][CH2:19][C@@:55]5([H])[C@@:47]([CH3:26])([CH3:21])[C@@H:203]([CH:42]=O)[CH2:54][C@:39]45[CH3:17]', '36 40 H 14.56 -13.11 H 13.34 -15.23 C:28001 22.07 -13.33 C:30 19.50 -6.37 C:29 17.02 -7.83 C:24 12.66 -15.87 C:23 10.79 -15.37 C:27 17.03 -13.49 C:26 15.82 -11.38 C:25 13.34 -11.38 O 9.09 -12.26 O 21.94 -10.55 C:2 9.77 -13.47 C:12 15.82 -9.94 C:11 14.56 -10.65 C:21 20.77 -8.51 C:6 14.56 -14.93 C:15 18.25 -12.80 C:7 15.82 -14.21 C:22 20.77 -9.94 C:16 19.51 -12.09 C:1 12.01 -12.37 O:18 20.80 -12.70 C:28 20.76 -11.31 C:13 17.03 -10.65 C:18 18.25 -9.94 C:20 19.51 -7.78 C:19 18.25 -8.51 C:3 11.17 -13.48 C:4 11.99 -14.63 C:9 14.56 -12.09 C:5 13.34 -14.21 C:14 17.03 -12.09 C:8 15.82 -12.80 C:10 13.34 -12.80 C:17 19.51 -10.65 31 1 -2 32 2 -2 3 23 1 27 4 -2 28 5 -1 30 6 -1 30 7 -2 33 8 -2 34 9 -1 35 10 -1 11 13 2 12 24 2 29 13 -1 14 15 2 14 25 1 15 31 1 16 20 1 16 27 1 17 19 1 17 32 1 18 21 1 18 33 1 19 34 1 20 36 1 21 36 1 22 29 1 22 35 1 23 24 1 36 24 -1 25 26 2 25 33 1 26 28 1 26 36 1 27 28 1 29 30 1 30 32 1 31 34 1 31 35 1 32 35 1 33 34 1', '36 40 H 14.56 -13.11 H 13.34 -15.23 C 22.07 -13.33 C 19.50 -6.37 C 17.02 -7.83 C 12.66 -15.87 C 10.79 -15.37 C 17.03 -13.49 C 15.82 -11.38 C 13.34 -11.38 O 9.09 -12.26 O 21.94 -10.55 C 9.77 -13.47 C 15.82 -9.94 C 14.56 -10.65 C 20.77 -8.51 C 14.56 -14.93 C 18.25 -12.80 C 15.82 -14.21 C 20.77 -9.94 C 19.51 -12.09 C 12.01 -12.37 O 20.80 -12.70 C 20.76 -11.31 C 17.03 -10.65 C 18.25 -9.94 C 19.51 -7.78 C 18.25 -8.51 C 11.17 -13.48 C 11.99 -14.63 C 14.56 -12.09 C 13.34 -14.21 C 17.03 -12.09 C 15.82 -12.80 C 13.34 -12.80 C 19.51 -10.65 31 1 -2 32 2 -2 3 23 1 27 4 -2 28 5 -1 30 6 -1 30 7 -2 33 8 -2 34 9 -1 35 10 -1 11 13 2 12 24 2 29 13 -1 14 15 2 14 25 1 15 31 1 16 20 1 16 27 1 17 19 1 17 32 1 18 21 1 18 33 1 19 34 1 20 36 1 21 36 1 22 29 1 22 35 1 23 24 1 36 24 -1 25 26 2 25 33 1 26 28 1 26 36 1 27 28 1 29 30 1 30 32 1 31 34 1 31 35 1 32 35 1 33 34 1', '36 40 H 14.56 -13.11 H 13.34 -15.23 C:52 22.07 -13.33 C:16 19.50 -6.37 C:26 17.02 -7.83 C:21 12.66 -15.87 C:26 10.79 -15.37 C:24 17.03 -13.49 C:20 15.82 -11.38 C:17 13.34 -11.38 O 9.09 -12.26 O 21.94 -10.55 C:42 9.77 -13.47 C:126 15.82 -9.94 C:126 14.56 -10.65 C:26 20.77 -8.51 C:19 14.56 -14.93 C:26 18.25 -12.80 C:32 15.82 -14.21 C:39 20.77 -9.94 C:25 19.51 -12.09 C:54 12.01 -12.37 O:136 20.80 -12.70 C:179 20.76 -11.31 C:132 17.03 -10.65 C:136 18.25 -9.94 C:41 19.51 -7.78 C:36 18.25 -8.51 C:203 11.17 -13.48 C:47 11.99 -14.63 C:25 14.56 -12.09 C:55 13.34 -14.21 C:42 17.03 -12.09 C:41 15.82 -12.80 C:39 13.34 -12.80 C:47 19.51 -10.65 31 1 -2 32 2 -2 3 23 1 27 4 -2 28 5 -1 30 6 -1 30 7 -2 33 8 -2 34 9 -1 35 10 -1 11 13 2 12 24 2 29 13 -1 14 15 2 14 25 1 15 31 1 16 20 1 16 27 1 17 19 1 17 32 1 18 21 1 18 33 1 19 34 1 20 36 1 21 36 1 22 29 1 22 35 1 23 24 1 36 24 -1 25 26 2 25 33 1 26 28 1 26 36 1 27 28 1 29 30 1 30 32 1 31 34 1 31 35 1 32 35 1 33 34 1', 'C31H46O3', 466.346, 'C', 'ttr_54_2099_3', 2243, '', '', '1', 1, NULL, NULL),
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(2880, 'Gentinone C', '', 'Terpenoids', 'Triterpenoids', 'Apotirucallanes', '[H][C@:23]5([C@H:24](O)[C:25]([CH3:27])([CH3:26])O)[CH2:22][C@@:20]([H])([C@:17]1([H])[CH2:16][CH:15]=[C:14]3[C@@:13]1([CH3:18])[CH2:12][C@@H:11](O[C:11001](=O)[CH:11002]([CH3:11102])[CH2:11003][CH3:11004])[C@:9]4([H])[C@@:10]2([CH3:19])[CH:1]=[CH:2][C:3](=O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][C@@H:7](O)[C@@:8]34[CH3:30])[C@@H:21](O)O5', '[H][C@]5([C@H](O)C(C)(C)O)C[C@@]([H])([C@]1([H])CC=C3[C@@]1(C)C[C@@H](OC(=O)C(C)CC)[C@]4([H])[C@@]2(C)C=CC(=O)[C@](C)(C)[C@]2([H])C[C@@H](O)[C@@]34C)[C@@H](O)O5', '[H][C@:79]5([C@H:75](O)[C:74]([CH3:27])([CH3:27])O)[CH2:30][C@@:44]([H])([C@:52]1([H])[CH2:35][CH:120]=[C:161]3[C@@:46]1([CH3:20])[CH2:42][C@@H:70](O[C:176](=O)[CH:42]([CH3:17])[CH2:26][CH3:12])[C@:44]4([H])[C@@:41]2([CH3:20])[CH:158]=[CH:124][C:204](=O)[C@:44]([CH3:26])([CH3:22])[C@:45]2([H])[CH2:24][C@@H:71](O)[C@@:44]34[CH3:30])[C@@H:96](O)O5', '48 52 H 20.05 -7.47 H 18.21 -9.31 H 16.97 -10.81 H 12.05 -15.08 H 13.39 -12.78 C:11004 8.41 -7.55 C:11102 10.86 -6.11 C:27 21.72 -8.18 C:26 22.94 -6.06 C:28 11.54 -15.97 C:29 9.98 -15.92 C:18 15.91 -8.87 C:19 12.05 -11.03 C:30 14.63 -11.08 O 8.34 -14.72 O 13.34 -7.48 O 15.84 -14.71 O 15.59 -7.10 O 20.50 -4.67 O 22.92 -7.45 C:2 9.53 -12.48 C:15 17.25 -12.16 C:1 10.79 -11.74 C:11003 9.63 -8.24 C:16 18.10 -11.03 C:6 13.36 -14.70 C:12 14.63 -9.56 C:22 19.13 -8.18 O 12.12 -9.61 O 17.96 -6.20 C:3 9.53 -13.97 C:11001 12.12 -8.19 C:14 15.90 -11.74 C:11002 10.86 -7.51 C:7 14.63 -13.97 C:21 17.00 -7.25 C:24 20.49 -6.07 C:11 13.36 -10.30 C:25 21.71 -6.76 C:4 10.79 -14.70 C:23 19.26 -6.77 C:20 17.71 -8.48 C:13 15.90 -10.30 C:17 17.25 -9.87 C:5 12.05 -13.97 C:10 12.05 -12.48 C:8 14.63 -12.48 C:9 13.36 -11.74 41 1 -2 42 2 -2 44 3 -1 45 4 -2 48 5 -2 6 24 1 7 34 1 8 39 1 9 39 1 40 10 -2 40 11 -1 43 12 -2 46 13 -1 47 14 -1 15 31 2 16 32 2 35 17 -2 36 18 -1 37 19 -2 20 39 1 21 23 2 21 31 1 22 25 1 22 33 2 23 46 1 24 34 1 25 44 1 26 35 1 26 45 1 27 38 1 27 43 1 28 41 1 28 42 1 29 32 1 38 29 -2 30 36 1 30 41 1 31 40 1 32 34 1 33 43 1 33 47 1 35 47 1 36 42 1 37 39 1 37 41 1 38 48 1 40 45 1 42 44 1 43 44 1 45 46 1 46 48 1 47 48 1', '48 52 H 20.05 -7.47 H 18.21 -9.31 H 16.97 -10.81 H 12.05 -15.08 H 13.39 -12.78 C 8.41 -7.55 C 10.86 -6.11 C 21.72 -8.18 C 22.94 -6.06 C 11.54 -15.97 C 9.98 -15.92 C 15.91 -8.87 C 12.05 -11.03 C 14.63 -11.08 O 8.34 -14.72 O 13.34 -7.48 O 15.84 -14.71 O 15.59 -7.10 O 20.50 -4.67 O 22.92 -7.45 C 9.53 -12.48 C 17.25 -12.16 C 10.79 -11.74 C 9.63 -8.24 C 18.10 -11.03 C 13.36 -14.70 C 14.63 -9.56 C 19.13 -8.18 O 12.12 -9.61 O 17.96 -6.20 C 9.53 -13.97 C 12.12 -8.19 C 15.90 -11.74 C 10.86 -7.51 C 14.63 -13.97 C 17.00 -7.25 C 20.49 -6.07 C 13.36 -10.30 C 21.71 -6.76 C 10.79 -14.70 C 19.26 -6.77 C 17.71 -8.48 C 15.90 -10.30 C 17.25 -9.87 C 12.05 -13.97 C 12.05 -12.48 C 14.63 -12.48 C 13.36 -11.74 41 1 -2 42 2 -2 44 3 -1 45 4 -2 48 5 -2 6 24 1 7 34 1 8 39 1 9 39 1 40 10 -2 40 11 -1 43 12 -2 46 13 -1 47 14 -1 15 31 2 16 32 2 35 17 -2 36 18 -1 37 19 -2 20 39 1 21 23 2 21 31 1 22 25 1 22 33 2 23 46 1 24 34 1 25 44 1 26 35 1 26 45 1 27 38 1 27 43 1 28 41 1 28 42 1 29 32 1 38 29 -2 30 36 1 30 41 1 31 40 1 32 34 1 33 43 1 33 47 1 35 47 1 36 42 1 37 39 1 37 41 1 38 48 1 40 45 1 42 44 1 43 44 1 45 46 1 46 48 1 47 48 1', '48 52 H 20.05 -7.47 H 18.21 -9.31 H 16.97 -10.81 H 12.05 -15.08 H 13.39 -12.78 C:12 8.41 -7.55 C:17 10.86 -6.11 C:27 21.72 -8.18 C:27 22.94 -6.06 C:26 11.54 -15.97 C:22 9.98 -15.92 C:20 15.91 -8.87 C:20 12.05 -11.03 C:30 14.63 -11.08 O 8.34 -14.72 O 13.34 -7.48 O 15.84 -14.71 O 15.59 -7.10 O 20.50 -4.67 O 22.92 -7.45 C:124 9.53 -12.48 C:120 17.25 -12.16 C:158 10.79 -11.74 C:26 9.63 -8.24 C:35 18.10 -11.03 C:24 13.36 -14.70 C:42 14.63 -9.56 C:30 19.13 -8.18 O 12.12 -9.61 O 17.96 -6.20 C:204 9.53 -13.97 C:176 12.12 -8.19 C:161 15.90 -11.74 C:42 10.86 -7.51 C:71 14.63 -13.97 C:96 17.00 -7.25 C:75 20.49 -6.07 C:70 13.36 -10.30 C:74 21.71 -6.76 C:44 10.79 -14.70 C:79 19.26 -6.77 C:44 17.71 -8.48 C:46 15.90 -10.30 C:52 17.25 -9.87 C:45 12.05 -13.97 C:41 12.05 -12.48 C:44 14.63 -12.48 C:44 13.36 -11.74 41 1 -2 42 2 -2 44 3 -1 45 4 -2 48 5 -2 6 24 1 7 34 1 8 39 1 9 39 1 40 10 -2 40 11 -1 43 12 -2 46 13 -1 47 14 -1 15 31 2 16 32 2 35 17 -2 36 18 -1 37 19 -2 20 39 1 21 23 2 21 31 1 22 25 1 22 33 2 23 46 1 24 34 1 25 44 1 26 35 1 26 45 1 27 38 1 27 43 1 28 41 1 28 42 1 29 32 1 38 29 -2 30 36 1 30 41 1 31 40 1 32 34 1 33 43 1 33 47 1 35 47 1 36 42 1 37 39 1 37 41 1 38 48 1 40 45 1 42 44 1 43 44 1 45 46 1 46 48 1 47 48 1', 'C35H54O8', 602.409, 'C', 'Rv-34', 1704, '', '', '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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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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(2913, 'Cyclopassifloic acid E', '20(S),24(S)-1a,3b,16b, 20,24,31-hexahydroxy-24-methylcycloartan 28-oic acid', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O)[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@@:13]5([CH3:18])[C@@:14]4([CH3:30])[CH2:15][C@H:16](O)[C@@:17]5([H])[C@@:20]([CH3:21])(O)[CH2:22][CH2:23][C@:24](O)([CH2:24001]O)[CH:25]([CH3:27])[CH3:26]', '[H][C@@]24CC[C@@]1([H])[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@@]5(C)[C@@]4(C)C[C@H](O)[C@@]5([H])[C@@](C)(O)CC[C@](O)(CO)C(C)C', '[H][C@@:48]24[CH2:26][CH2:23][C@@:38]1([H])[C@:56]([CH3:10])([C:181](=O)O)[C@@H:71](O)[CH2:39][C@H:72](O)[C@@:30]13[CH2:30][C@@:21]23[CH2:26][CH2:34][C@@:47]5([CH3:22])[C@@:47]4([CH3:21])[CH2:50][C@H:74](O)[C@@:55]5([H])[C@@:77]([CH3:26])(O)[CH2:38][CH2:30][C@:76](O)([CH2:66]O)[CH:34]([CH3:18])[CH3:18]', '42 46 H 14.02 -10.56 H 11.55 -14.23 H 16.45 -10.00 C:27 21.36 -10.65 C:26 23.23 -8.98 C:21 15.74 -7.29 C:18 15.30 -8.11 C:30 15.30 -12.36 C:29 9.37 -15.06 O 12.53 -15.02 O 22.01 -6.05 O 10.53 -16.29 O 7.86 -13.82 O 18.87 -10.29 O 10.31 -9.57 O 16.92 -6.36 O 20.42 -6.88 C:24001 22.01 -7.45 C:22 18.48 -7.43 C:7 14.02 -13.11 C:6 12.80 -13.83 C:12 14.02 -8.82 C:23 19.44 -8.51 C:11 12.80 -9.55 C:2 9.07 -11.65 C:15 16.60 -11.38 C:19 11.57 -10.26 C:28 11.13 -15.02 C:25 21.80 -9.27 C:3 9.07 -13.11 C:16 17.47 -10.26 C:1 10.31 -10.97 C:20 17.06 -7.75 C:8 14.02 -11.65 C:5 11.55 -13.11 C:13 15.27 -9.55 C:14 15.27 -10.97 C:17 16.60 -9.10 C:4 10.31 -13.83 C:24 20.84 -8.21 C:9 12.80 -10.97 C:10 11.55 -11.65 34 1 -1 35 2 -2 38 3 -1 4 29 1 5 29 1 33 6 -2 36 7 -1 37 8 -2 39 9 -1 10 28 2 11 18 1 12 28 1 30 13 -1 31 14 -1 32 15 -2 33 16 -1 40 17 -1 40 18 -2 19 23 1 19 33 1 20 21 1 20 34 1 21 35 1 22 24 1 22 36 1 23 40 1 24 41 1 25 30 1 25 32 1 26 31 1 26 37 1 41 27 -1 42 27 -1 39 28 -2 29 40 1 30 39 1 31 38 1 32 42 1 33 38 1 34 37 1 34 41 1 35 39 1 35 42 1 36 37 1 36 38 1 41 42 1', '42 46 H 14.02 -10.56 H 11.55 -14.23 H 16.45 -10.00 C 21.36 -10.65 C 23.23 -8.98 C 15.74 -7.29 C 15.30 -8.11 C 15.30 -12.36 C 9.37 -15.06 O 12.53 -15.02 O 22.01 -6.05 O 10.53 -16.29 O 7.86 -13.82 O 18.87 -10.29 O 10.31 -9.57 O 16.92 -6.36 O 20.42 -6.88 C 22.01 -7.45 C 18.48 -7.43 C 14.02 -13.11 C 12.80 -13.83 C 14.02 -8.82 C 19.44 -8.51 C 12.80 -9.55 C 9.07 -11.65 C 16.60 -11.38 C 11.57 -10.26 C 11.13 -15.02 C 21.80 -9.27 C 9.07 -13.11 C 17.47 -10.26 C 10.31 -10.97 C 17.06 -7.75 C 14.02 -11.65 C 11.55 -13.11 C 15.27 -9.55 C 15.27 -10.97 C 16.60 -9.10 C 10.31 -13.83 C 20.84 -8.21 C 12.80 -10.97 C 11.55 -11.65 34 1 -1 35 2 -2 38 3 -1 4 29 1 5 29 1 33 6 -2 36 7 -1 37 8 -2 39 9 -1 10 28 2 11 18 1 12 28 1 30 13 -1 31 14 -1 32 15 -2 33 16 -1 40 17 -1 40 18 -2 19 23 1 19 33 1 20 21 1 20 34 1 21 35 1 22 24 1 22 36 1 23 40 1 24 41 1 25 30 1 25 32 1 26 31 1 26 37 1 41 27 -1 42 27 -1 39 28 -2 29 40 1 30 39 1 31 38 1 32 42 1 33 38 1 34 37 1 34 41 1 35 39 1 35 42 1 36 37 1 36 38 1 41 42 1', '42 46 H 14.02 -10.56 H 11.55 -14.23 H 16.45 -10.00 C:18 21.36 -10.65 C:18 23.23 -8.98 C:26 15.74 -7.29 C:22 15.30 -8.11 C:21 15.30 -12.36 C:10 9.37 -15.06 O 12.53 -15.02 O 22.01 -6.05 O 10.53 -16.29 O 7.86 -13.82 O 18.87 -10.29 O 10.31 -9.57 O 16.92 -6.36 O 20.42 -6.88 C:66 22.01 -7.45 C:38 18.48 -7.43 C:26 14.02 -13.11 C:23 12.80 -13.83 C:34 14.02 -8.82 C:30 19.44 -8.51 C:26 12.80 -9.55 C:39 9.07 -11.65 C:50 16.60 -11.38 C:30 11.57 -10.26 C:181 11.13 -15.02 C:34 21.80 -9.27 C:71 9.07 -13.11 C:74 17.47 -10.26 C:72 10.31 -10.97 C:77 17.06 -7.75 C:48 14.02 -11.65 C:38 11.55 -13.11 C:47 15.27 -9.55 C:47 15.27 -10.97 C:55 16.60 -9.10 C:56 10.31 -13.83 C:76 20.84 -8.21 C:21 12.80 -10.97 C:30 11.55 -11.65 34 1 -1 35 2 -2 38 3 -1 4 29 1 5 29 1 33 6 -2 36 7 -1 37 8 -2 39 9 -1 10 28 2 11 18 1 12 28 1 30 13 -1 31 14 -1 32 15 -2 33 16 -1 40 17 -1 40 18 -2 19 23 1 19 33 1 20 21 1 20 34 1 21 35 1 22 24 1 22 36 1 23 40 1 24 41 1 25 30 1 25 32 1 26 31 1 26 37 1 41 27 -1 42 27 -1 39 28 -2 29 40 1 30 39 1 31 38 1 32 42 1 33 38 1 34 37 1 34 41 1 35 39 1 35 42 1 36 37 1 36 38 1 41 42 1', 'C31H52O8', 552.351, 'P', 'Rv-72', 2533, '', '', '1', 1, NULL, NULL),
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(2915, 'Cyclopassifloic acid F', '24(S)-1a, 3b, 16a, 24, 31-pentahydroxy-24-methylcycloartan 28-oic acid', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([C:28](=O)O)[C@@H:3](O)[CH2:2][C@H:1](O)[C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]5([CH3:18])[C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@:24](O)([CH2:24001]O)[CH:25]([CH3:27])[CH3:26])[C@H:16](O)[CH2:15][C@@:14]45[CH3:30]', '[H][C@@]24CC[C@@]1([H])[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]13C[C@@]23CC[C@]5(C)[C@]([H])([C@H](C)CC[C@](O)(CO)C(C)C)[C@H](O)C[C@@]45C', '[H][C@@:49]24[CH2:26][CH2:24][C@@:38]1([H])[C@:56]([CH3:10])([C:180](=O)O)[C@@H:71](O)[CH2:39][C@H:73](O)[C@@:31]13[CH2:29][C@@:21]23[CH2:26][CH2:33][C@:48]5([CH3:19])[C@:61]([H])([C@H:35]([CH3:20])[CH2:31][CH2:30][C@:77](O)([CH2:66]O)[CH:34]([CH3:18])[CH3:18])[C@H:77](O)[CH2:49][C@@:47]45[CH3:21]', '41 45 H 14.02 -10.67 H 11.55 -14.34 H 16.45 -10.11 C:27 21.36 -10.76 C:26 23.23 -9.09 C:21 16.11 -6.84 C:18 15.30 -8.22 C:30 15.30 -12.47 C:29 9.37 -15.17 O 12.53 -15.13 O 22.01 -6.16 O 10.53 -16.40 O 18.87 -10.40 O 7.86 -13.93 O 10.31 -9.68 O 20.42 -6.99 C:24001 22.01 -7.56 C:22 18.48 -7.54 C:7 14.02 -13.22 C:6 12.80 -13.94 C:12 14.02 -8.93 C:23 19.44 -8.62 C:11 12.80 -9.66 C:2 9.07 -11.76 C:15 16.60 -11.49 C:19 11.57 -10.37 C:28 11.13 -15.13 C:25 21.80 -9.38 C:20 17.06 -7.86 C:16 17.47 -10.37 C:3 9.07 -13.22 C:1 10.31 -11.08 C:8 14.02 -11.76 C:5 11.55 -13.22 C:17 16.60 -9.21 C:13 15.27 -9.66 C:14 15.27 -11.08 C:4 10.31 -13.94 C:24 20.84 -8.32 C:9 12.80 -11.08 C:10 11.55 -11.76 33 1 -1 34 2 -2 35 3 -1 4 28 1 5 28 1 29 6 -2 36 7 -1 37 8 -2 38 9 -1 10 27 2 11 17 1 12 27 1 30 13 -2 31 14 -1 32 15 -2 39 16 -1 39 17 -2 18 22 1 18 29 1 19 20 1 19 33 1 20 34 1 21 23 1 21 36 1 22 39 1 23 40 1 24 31 1 24 32 1 25 30 1 25 37 1 40 26 -1 41 26 -1 38 27 -2 28 39 1 29 35 1 30 35 1 31 38 1 32 41 1 33 37 1 33 40 1 34 38 1 34 41 1 35 36 1 36 37 1 40 41 1', '41 45 H 14.02 -10.67 H 11.55 -14.34 H 16.45 -10.11 C 21.36 -10.76 C 23.23 -9.09 C 16.11 -6.84 C 15.30 -8.22 C 15.30 -12.47 C 9.37 -15.17 O 12.53 -15.13 O 22.01 -6.16 O 10.53 -16.40 O 18.87 -10.40 O 7.86 -13.93 O 10.31 -9.68 O 20.42 -6.99 C 22.01 -7.56 C 18.48 -7.54 C 14.02 -13.22 C 12.80 -13.94 C 14.02 -8.93 C 19.44 -8.62 C 12.80 -9.66 C 9.07 -11.76 C 16.60 -11.49 C 11.57 -10.37 C 11.13 -15.13 C 21.80 -9.38 C 17.06 -7.86 C 17.47 -10.37 C 9.07 -13.22 C 10.31 -11.08 C 14.02 -11.76 C 11.55 -13.22 C 16.60 -9.21 C 15.27 -9.66 C 15.27 -11.08 C 10.31 -13.94 C 20.84 -8.32 C 12.80 -11.08 C 11.55 -11.76 33 1 -1 34 2 -2 35 3 -1 4 28 1 5 28 1 29 6 -2 36 7 -1 37 8 -2 38 9 -1 10 27 2 11 17 1 12 27 1 30 13 -2 31 14 -1 32 15 -2 39 16 -1 39 17 -2 18 22 1 18 29 1 19 20 1 19 33 1 20 34 1 21 23 1 21 36 1 22 39 1 23 40 1 24 31 1 24 32 1 25 30 1 25 37 1 40 26 -1 41 26 -1 38 27 -2 28 39 1 29 35 1 30 35 1 31 38 1 32 41 1 33 37 1 33 40 1 34 38 1 34 41 1 35 36 1 36 37 1 40 41 1', '41 45 H 14.02 -10.67 H 11.55 -14.34 H 16.45 -10.11 C:18 21.36 -10.76 C:18 23.23 -9.09 C:20 16.11 -6.84 C:19 15.30 -8.22 C:21 15.30 -12.47 C:10 9.37 -15.17 O 12.53 -15.13 O 22.01 -6.16 O 10.53 -16.40 O 18.87 -10.40 O 7.86 -13.93 O 10.31 -9.68 O 20.42 -6.99 C:66 22.01 -7.56 C:31 18.48 -7.54 C:26 14.02 -13.22 C:24 12.80 -13.94 C:33 14.02 -8.93 C:30 19.44 -8.62 C:26 12.80 -9.66 C:39 9.07 -11.76 C:49 16.60 -11.49 C:29 11.57 -10.37 C:180 11.13 -15.13 C:34 21.80 -9.38 C:35 17.06 -7.86 C:77 17.47 -10.37 C:71 9.07 -13.22 C:73 10.31 -11.08 C:49 14.02 -11.76 C:38 11.55 -13.22 C:61 16.60 -9.21 C:48 15.27 -9.66 C:47 15.27 -11.08 C:56 10.31 -13.94 C:77 20.84 -8.32 C:21 12.80 -11.08 C:31 11.55 -11.76 33 1 -1 34 2 -2 35 3 -1 4 28 1 5 28 1 29 6 -2 36 7 -1 37 8 -2 38 9 -1 10 27 2 11 17 1 12 27 1 30 13 -2 31 14 -1 32 15 -2 39 16 -1 39 17 -2 18 22 1 18 29 1 19 20 1 19 33 1 20 34 1 21 23 1 21 36 1 22 39 1 23 40 1 24 31 1 24 32 1 25 30 1 25 37 1 40 26 -1 41 26 -1 38 27 -2 28 39 1 29 35 1 30 35 1 31 38 1 32 41 1 33 37 1 33 40 1 34 38 1 34 41 1 35 36 1 36 37 1 40 41 1', 'C31H52O7', 536.351, 'P', 'Rv-74', 2533, '', '', '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
(2928, '', 'Methyl 3b-hydroxyolean-12-en-27-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([C:27](=O)O[CH3:27001])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C)CC[C@]5(C(=O)OC)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:48]12[CH2:44][C@@:31]([CH3:33])([CH3:24])[CH2:34][CH2:37][C@:33]1([CH3:28])[CH2:27][CH2:22][C@:56]5([C:176](=O)O[CH3:9999])[C:138]2=[CH:126][CH2:23][C@:49]4([H])[C@@:39]3([CH3:16])[CH2:37][CH2:28][C@H:79](O)[C@:40]([CH3:28])([CH3:16])[C@:56]3([H])[CH2:18][CH2:34][C@:37]45[CH3:18]', '37 41 H 18.64 -10.94 H 13.63 -15.03 H 14.94 -12.80 C:27001 17.43 -15.48 C:29 20.69 -6.34 C:30 19.07 -6.33 C:23 13.12 -15.91 C:24 11.63 -15.86 C:28 19.86 -8.92 C:25 13.63 -11.07 C:26 16.16 -11.07 O 19.25 -13.36 O 10.01 -14.70 C:12 16.16 -9.67 C:2 11.20 -12.51 C:11 14.91 -10.36 C:21 21.10 -8.23 C:1 12.40 -11.78 C:22 21.10 -9.67 C:16 19.86 -11.78 C:6 14.91 -14.66 C:7 16.16 -13.96 C:15 18.64 -12.51 C:19 18.64 -8.23 O 16.96 -14.16 C:27 17.88 -13.10 C:13 17.40 -10.36 C:3 11.20 -13.96 C:20 19.86 -7.50 C:4 12.40 -14.66 C:18 18.64 -9.67 C:17 19.86 -10.36 C:5 13.63 -13.96 C:9 14.91 -11.78 C:10 13.63 -12.51 C:8 16.16 -12.51 C:14 17.40 -11.78 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 32 9 -1 35 10 -1 36 11 -1 12 26 2 28 13 -1 14 16 1 14 27 2 15 18 1 15 28 1 16 34 1 17 19 1 17 29 1 18 35 1 19 32 1 20 23 1 20 32 1 21 22 1 21 33 1 22 36 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -2 27 31 1 27 37 1 28 30 1 30 33 1 31 32 1 33 35 1 34 35 1 34 36 1 36 37 1', '37 41 H 18.64 -10.94 H 13.63 -15.03 H 14.94 -12.80 C 17.43 -15.48 C 20.69 -6.34 C 19.07 -6.33 C 13.12 -15.91 C 11.63 -15.86 C 19.86 -8.92 C 13.63 -11.07 C 16.16 -11.07 O 19.25 -13.36 O 10.01 -14.70 C 16.16 -9.67 C 11.20 -12.51 C 14.91 -10.36 C 21.10 -8.23 C 12.40 -11.78 C 21.10 -9.67 C 19.86 -11.78 C 14.91 -14.66 C 16.16 -13.96 C 18.64 -12.51 C 18.64 -8.23 O 16.96 -14.16 C 17.88 -13.10 C 17.40 -10.36 C 11.20 -13.96 C 19.86 -7.50 C 12.40 -14.66 C 18.64 -9.67 C 19.86 -10.36 C 13.63 -13.96 C 14.91 -11.78 C 13.63 -12.51 C 16.16 -12.51 C 17.40 -11.78 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 32 9 -1 35 10 -1 36 11 -1 12 26 2 28 13 -1 14 16 1 14 27 2 15 18 1 15 28 1 16 34 1 17 19 1 17 29 1 18 35 1 19 32 1 20 23 1 20 32 1 21 22 1 21 33 1 22 36 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -2 27 31 1 27 37 1 28 30 1 30 33 1 31 32 1 33 35 1 34 35 1 34 36 1 36 37 1', '37 41 H 18.64 -10.94 H 13.63 -15.03 H 14.94 -12.80 C 17.43 -15.48 C:33 20.69 -6.34 C:24 19.07 -6.33 C:28 13.12 -15.91 C:16 11.63 -15.86 C:28 19.86 -8.92 C:16 13.63 -11.07 C:18 16.16 -11.07 O 19.25 -13.36 O 10.01 -14.70 C:126 16.16 -9.67 C:28 11.20 -12.51 C:23 14.91 -10.36 C:34 21.10 -8.23 C:37 12.40 -11.78 C:37 21.10 -9.67 C:27 19.86 -11.78 C:18 14.91 -14.66 C:34 16.16 -13.96 C:22 18.64 -12.51 C:44 18.64 -8.23 O 16.96 -14.16 C:176 17.88 -13.10 C:138 17.40 -10.36 C:79 11.20 -13.96 C:31 19.86 -7.50 C:40 12.40 -14.66 C:48 18.64 -9.67 C:33 19.86 -10.36 C:56 13.63 -13.96 C:49 14.91 -11.78 C:39 13.63 -12.51 C:37 16.16 -12.51 C:56 17.40 -11.78 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 32 9 -1 35 10 -1 36 11 -1 12 26 2 28 13 -1 14 16 1 14 27 2 15 18 1 15 28 1 16 34 1 17 19 1 17 29 1 18 35 1 19 32 1 20 23 1 20 32 1 21 22 1 21 33 1 22 36 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -2 27 31 1 27 37 1 28 30 1 30 33 1 31 32 1 33 35 1 34 35 1 34 36 1 36 37 1', 'C31H50O3', 470.354, 'C', 'JOC83_3525_5', 382, '', 'Rav-94', '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
(2942, 'Amazoquinone', '(8S)-7,8-dihydro-7-oxo-tingenone', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@@:18]14[CH2:19][C@@H:20]([CH3:30])[C:21](=O)[CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[C:7](=O)[CH:6]=[c:5]2[c:4]([CH3:23])[c:3](O)[c:2](=O)[cH:1][c:10]2[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@@H](C)C(=O)C[C@]1(C)CC[C@]5(C)[C@@]3([H])C(=O)C=c2c(C)c(O)c(=O)cc2[C@]3(C)CC[C@@]45C', '[H][C@@:43]14[CH2:32][C@@H:42]([CH3:15])[C:214](=O)[CH2:54][C@:40]1([CH3:33])[CH2:35][CH2:32][C@:38]5([CH3:15])[C@@:58]3([H])[C:200](=O)[CH:132]=[c:141]2[c:117]([CH3:10])[c:147](O)[c:181](=O)[cH:120][c:162]2[C@:42]3([CH3:30])[CH2:29][CH2:27][C@@:40]45[CH3:18]', '34 38 H 17.98 -10.84 H 15.53 -11.43 C:23 11.84 -16.10 C:30 19.21 -6.16 C:28 19.21 -9.01 C:25 14.30 -13.25 C:27 16.75 -9.01 C:26 16.75 -13.24 O 16.75 -14.68 O 21.66 -7.58 O 9.42 -11.84 O 9.42 -14.67 C:6 14.30 -14.68 C:1 11.84 -11.83 C:16 19.21 -11.83 C:11 14.30 -10.41 C:15 17.98 -12.54 C:12 15.53 -9.71 C:22 20.45 -9.71 C:19 17.98 -8.28 C:7 15.53 -13.97 C:21 20.45 -8.28 C:4 11.84 -14.68 C:3 10.61 -13.97 C:10 13.05 -12.54 C:2 10.61 -12.54 C:5 13.05 -13.97 C:20 19.21 -7.57 C:17 19.21 -10.41 C:9 14.30 -11.83 C:18 17.98 -9.71 C:8 15.53 -12.54 C:13 16.75 -10.41 C:14 16.75 -11.83 31 1 -1 32 2 -2 3 23 1 28 4 -1 29 5 -1 30 6 -1 33 7 -2 34 8 -1 9 21 2 10 22 2 11 26 2 12 24 1 13 21 1 13 27 2 14 25 2 14 26 1 15 17 1 15 29 1 16 18 1 16 30 1 17 34 1 18 33 1 19 22 1 19 29 1 20 28 1 20 31 1 21 32 1 22 28 1 23 24 2 23 27 1 24 26 1 25 27 1 25 30 1 29 31 1 30 32 1 31 33 1 32 34 1 33 34 1', '34 38 H 17.98 -10.84 H 15.53 -11.43 C 11.84 -16.10 C 19.21 -6.16 C 19.21 -9.01 C 14.30 -13.25 C 16.75 -9.01 C 16.75 -13.24 O 16.75 -14.68 O 21.66 -7.58 O 9.42 -11.84 O 9.42 -14.67 C 14.30 -14.68 C 11.84 -11.83 C 19.21 -11.83 C 14.30 -10.41 C 17.98 -12.54 C 15.53 -9.71 C 20.45 -9.71 C 17.98 -8.28 C 15.53 -13.97 C 20.45 -8.28 C 11.84 -14.68 C 10.61 -13.97 C 13.05 -12.54 C 10.61 -12.54 C 13.05 -13.97 C 19.21 -7.57 C 19.21 -10.41 C 14.30 -11.83 C 17.98 -9.71 C 15.53 -12.54 C 16.75 -10.41 C 16.75 -11.83 31 1 -1 32 2 -2 3 23 1 28 4 -1 29 5 -1 30 6 -1 33 7 -2 34 8 -1 9 21 2 10 22 2 11 26 2 12 24 1 13 21 1 13 27 2 14 25 2 14 26 1 15 17 1 15 29 1 16 18 1 16 30 1 17 34 1 18 33 1 19 22 1 19 29 1 20 28 1 20 31 1 21 32 1 22 28 1 23 24 2 23 27 1 24 26 1 25 27 1 25 30 1 29 31 1 30 32 1 31 33 1 32 34 1 33 34 1', '34 38 H 17.98 -10.84 H 15.53 -11.43 C:10 11.84 -16.10 C:15 19.21 -6.16 C:33 19.21 -9.01 C:30 14.30 -13.25 C:18 16.75 -9.01 C:15 16.75 -13.24 O 16.75 -14.68 O 21.66 -7.58 O 9.42 -11.84 O 9.42 -14.67 C:132 14.30 -14.68 C:120 11.84 -11.83 C:35 19.21 -11.83 C:29 14.30 -10.41 C:32 17.98 -12.54 C:27 15.53 -9.71 C:54 20.45 -9.71 C:32 17.98 -8.28 C:200 15.53 -13.97 C:214 20.45 -8.28 C:117 11.84 -14.68 C:147 10.61 -13.97 C:162 13.05 -12.54 C:181 10.61 -12.54 C:141 13.05 -13.97 C:42 19.21 -7.57 C:40 19.21 -10.41 C:42 14.30 -11.83 C:43 17.98 -9.71 C:58 15.53 -12.54 C:40 16.75 -10.41 C:38 16.75 -11.83 31 1 -1 32 2 -2 3 23 1 28 4 -1 29 5 -1 30 6 -1 33 7 -2 34 8 -1 9 21 2 10 22 2 11 26 2 12 24 1 13 21 1 13 27 2 14 25 2 14 26 1 15 17 1 15 29 1 16 18 1 16 30 1 17 34 1 18 33 1 19 22 1 19 29 1 20 28 1 20 31 1 21 32 1 22 28 1 23 24 2 23 27 1 24 26 1 25 27 1 25 30 1 29 31 1 30 32 1 31 33 1 32 34 1 33 34 1', 'C28H36O4', 436.313, 'C', 'Rv-223', 348, '', '', '1', 1, NULL, NULL),
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