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
(2163, '7,8-Dihydro-scutionin a A', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@:8]8%10[CH2:7][CH:6]=[C:5]6[C:10](=[CH:1][C:2](=O)[C@@:3]7(O)O[c:102]5[cH:101][c:110]1[c:105]([CH:106]=[CH:107][CH:108]3[C@@:109]1([CH3:125])[CH2:111][CH2:112][C@@:113]4([CH3:127])[CH:118]2[CH2:119][C@:120]([CH3:130])([C:129](=O)O[CH3:129001])[CH2:121][CH2:122][C@:117]2([CH3:128])[CH2:116][CH2:115][C@:114]34[CH3:126])[c:104]([CH3:123])[c:103]5O[C@@:4]67[CH3:23])[C@:9]8([CH3:25])[CH2:11][CH2:12][C@@:13]%11([CH3:27])[C@:18]9([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]9([CH3:28])[CH2:16][CH2:15][C@:14]%10%11[CH3:26]', '[H][C@]8%10CC=C6C(=CC(=O)[C@@]7(O)Oc5cc1c(C=CC3[C@@]1(C)CC[C@@]4(C)C2C[C@](C)(C(=O)OC)CC[C@]2(C)CC[C@]34C)c(C)c5O[C@@]67C)[C@]8(C)CC[C@@]%11(C)[C@]9([H])C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]%10%11C', 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53 1 26 63 1 27 29 1 27 57 1 28 31 1 28 58 1 29 59 1 30 35 1 30 59 1 31 60 1 32 37 1 32 60 1 33 38 1 33 61 1 34 36 1 34 62 1 35 66 1 36 67 1 37 68 1 38 69 1 39 56 1 39 57 1 40 58 1 40 64 1 41 46 1 42 47 1 43 51 1 70 43 -2 44 54 1 65 44 -2 45 70 1 57 46 -1 58 47 -2 48 49 1 48 65 1 49 61 1 50 52 1 50 54 2 51 54 1 52 53 2 53 62 1 55 62 1 55 66 1 56 59 1 56 67 1 60 64 1 61 63 1 63 68 1 64 69 1 65 70 1 66 67 1 68 69 1', '70 80 H 21.90 -5.18 H 24.37 -4.50 C 3.66 -15.32 C 28.56 1.03 C 18.21 -12.52 C 6.09 -13.93 C 24.72 -0.07 C 9.72 -17.42 C 25.60 -2.64 C 20.66 -6.93 C 13.35 -11.12 C 19.40 -9.05 C 13.35 -15.32 C 9.72 -13.23 C 23.18 -6.93 C 23.13 -2.64 O 15.77 -5.50 O 6.09 -16.72 O 25.82 1.25 O 15.77 -6.93 C 15.77 -13.93 C 14.57 -14.62 C 20.66 -8.34 C 18.21 -5.50 C 14.57 -10.43 C 21.90 -7.63 C 7.30 -16.02 C 26.81 -1.92 C 8.51 -16.72 C 10.93 -16.72 C 26.81 -3.37 C 25.60 -5.50 C 20.66 -4.08 C 12.14 -11.82 C 12.14 -16.02 C 10.93 -12.52 C 24.37 -6.21 C 21.90 -3.37 C 8.51 -13.93 C 24.37 -1.92 O 4.87 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-13.93 C:44 9.72 -14.63 C:41 7.30 -14.63 C 25.60 -1.21 C:30 9.72 -16.02 C:30 25.60 -4.08 C:39 20.66 -5.50 C:37 13.35 -12.52 C:43 21.90 -6.21 C:45 24.37 -3.37 C:77 18.21 -8.34 C:40 12.14 -14.63 C:39 10.93 -13.93 C:39 23.13 -5.50 C:39 23.13 -4.08 C:91 16.98 -7.63 63 1 -2 64 2 -1 3 41 1 4 42 1 5 50 1 57 6 -2 58 7 -1 59 8 -2 60 9 -1 61 10 -1 62 11 -2 65 12 -1 66 13 -2 67 14 -1 68 15 -1 69 16 -2 17 45 2 18 46 2 19 47 2 70 20 -1 21 22 2 21 52 1 22 55 1 23 26 1 23 48 2 24 45 1 24 49 2 25 51 2 25 53 1 26 63 1 27 29 1 27 57 1 28 31 1 28 58 1 29 59 1 30 35 1 30 59 1 31 60 1 32 37 1 32 60 1 33 38 1 33 61 1 34 36 1 34 62 1 35 66 1 36 67 1 37 68 1 38 69 1 39 56 1 39 57 1 40 58 1 40 64 1 41 46 1 42 47 1 43 51 1 70 43 -2 44 54 1 65 44 -2 45 70 1 57 46 -1 58 47 -2 48 49 1 48 65 1 49 61 1 50 52 1 50 54 2 51 54 1 52 53 2 53 62 1 55 62 1 55 66 1 56 59 1 56 67 1 60 64 1 61 63 1 63 68 1 64 69 1 65 70 1 66 67 1 68 69 1', 'C60H82O8', 930.653, 'C', 'ttr_52_9597_4', 749, '', '', '3', 1, NULL, NULL),
(2164, '7,8-Dihydro-scutionin b B', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@:8]8%10[CH2:7][CH:6]=[C:5]6[C:10](=[CH:1][C:2](=O)[C@:3]7(O)O[c:102]5[cH:101][c:110]1[c:105]([CH:106]=[CH:107][CH:108]3[C@@:109]1([CH3:125])[CH2:111][CH2:112][C@@:113]4([CH3:127])[CH:118]2[CH2:119][C@:120]([CH3:130])([C:129](=O)O[CH3:129001])[CH2:121][CH2:122][C@:117]2([CH3:128])[CH2:116][CH2:115][C@:114]34[CH3:126])[c:104]([CH3:123])[c:103]5O[C@:4]67[CH3:23])[C@:9]8([CH3:25])[CH2:11][CH2:12][C@@:13]%11([CH3:27])[C@:18]9([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]9([CH3:28])[CH2:16][CH2:15][C@:14]%10%11[CH3:26]', '[H][C@]8%10CC=C6C(=CC(=O)[C@]7(O)Oc5cc1c(C=CC3[C@@]1(C)CC[C@@]4(C)C2C[C@](C)(C(=O)OC)CC[C@]2(C)CC[C@]34C)c(C)c5O[C@]67C)[C@]8(C)CC[C@@]%11(C)[C@]9([H])C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]%10%11C', 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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
(2172, '6b,21a-dihydroxy-3-friedelanone', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:18]14[CH2:19][C@:20]([CH3:30])([CH3:29])[C@H:21](O)[CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[CH2:7][C@@H:6](O)[C@:5]2([CH3:24])[C@@H:4]([CH3:23])[C:3](=O)[CH2:2][CH2:1][C@@:10]2([H])[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@](C)(C)[C@H](O)C[C@]1(C)CC[C@]5(C)[C@@]3([H])C[C@@H](O)[C@]2(C)[C@@H](C)C(=O)CC[C@@]2([H])[C@]3(C)CC[C@@]45C', '[H][C@@:44]14[CH2:36][C@:34]([CH3:25])([CH3:32])[C@H:74](O)[CH2:47][C@:33]1([CH3:33])[CH2:36][CH2:30][C@:39]5([CH3:18])[C@@:48]3([H])[CH2:29][C@@H:79](O)[C@:48]2([CH3:9])[C@@H:58]([CH3:10])[C:213](=O)[CH2:41][CH2:22][C@@:59]2([H])[C@:38]3([CH3:18])[CH2:35][CH2:30][C@@:39]45[CH3:19]', '36 40 H 17.42 -7.82 H 12.47 -8.50 H 14.94 -8.50 C:23 11.24 -13.11 C:29 19.46 -3.34 C:30 17.77 -3.39 C:28 18.65 -5.95 C:25 13.70 -10.25 C:27 16.17 -5.95 C:26 16.23 -10.25 C:24 12.47 -12.40 O 8.81 -11.67 O 21.09 -4.52 O 13.69 -13.08 C:2 10.01 -9.53 C:1 11.24 -8.82 C:16 18.65 -8.82 C:15 17.42 -9.53 C:11 13.70 -7.39 C:12 14.94 -6.67 C:22 19.89 -6.67 C:7 14.94 -10.96 C:19 17.42 -5.23 C:3 10.01 -10.96 C:4 11.24 -11.68 C:21 19.89 -5.23 C:6 13.70 -11.68 C:20 18.65 -4.52 C:17 18.65 -7.39 C:18 17.42 -6.67 C:10 12.47 -9.53 C:8 14.94 -9.53 C:9 13.70 -8.82 C:13 16.17 -7.39 C:14 16.17 -8.82 C:5 12.47 -10.96 30 1 -1 31 2 -2 32 3 -2 25 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -2 35 10 -1 36 11 -1 12 24 2 26 13 -2 27 14 -1 15 16 1 15 24 1 16 31 1 17 18 1 17 29 1 18 35 1 19 20 1 19 33 1 20 34 1 21 26 1 21 29 1 22 27 1 22 32 1 23 28 1 23 30 1 24 25 1 25 36 1 26 28 1 27 36 1 29 30 1 30 34 1 31 33 1 31 36 1 32 33 1 32 35 1 34 35 1', '36 40 H 17.42 -7.82 H 12.47 -8.50 H 14.94 -8.50 C 11.24 -13.11 C 19.46 -3.34 C 17.77 -3.39 C 18.65 -5.95 C 13.70 -10.25 C 16.17 -5.95 C 16.23 -10.25 C 12.47 -12.40 O 8.81 -11.67 O 21.09 -4.52 O 13.69 -13.08 C 10.01 -9.53 C 11.24 -8.82 C 18.65 -8.82 C 17.42 -9.53 C 13.70 -7.39 C 14.94 -6.67 C 19.89 -6.67 C 14.94 -10.96 C 17.42 -5.23 C 10.01 -10.96 C 11.24 -11.68 C 19.89 -5.23 C 13.70 -11.68 C 18.65 -4.52 C 18.65 -7.39 C 17.42 -6.67 C 12.47 -9.53 C 14.94 -9.53 C 13.70 -8.82 C 16.17 -7.39 C 16.17 -8.82 C 12.47 -10.96 30 1 -1 31 2 -2 32 3 -2 25 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -2 35 10 -1 36 11 -1 12 24 2 26 13 -2 27 14 -1 15 16 1 15 24 1 16 31 1 17 18 1 17 29 1 18 35 1 19 20 1 19 33 1 20 34 1 21 26 1 21 29 1 22 27 1 22 32 1 23 28 1 23 30 1 24 25 1 25 36 1 26 28 1 27 36 1 29 30 1 30 34 1 31 33 1 31 36 1 32 33 1 32 35 1 34 35 1', '36 40 H 17.42 -7.82 H 12.47 -8.50 H 14.94 -8.50 C:10 11.24 -13.11 C:32 19.46 -3.34 C:25 17.77 -3.39 C:33 18.65 -5.95 C:18 13.70 -10.25 C:19 16.17 -5.95 C:18 16.23 -10.25 C:9 12.47 -12.40 O 8.81 -11.67 O 21.09 -4.52 O 13.69 -13.08 C:41 10.01 -9.53 C:22 11.24 -8.82 C:36 18.65 -8.82 C:30 17.42 -9.53 C:35 13.70 -7.39 C:30 14.94 -6.67 C:47 19.89 -6.67 C:29 14.94 -10.96 C:36 17.42 -5.23 C:213 10.01 -10.96 C:58 11.24 -11.68 C:74 19.89 -5.23 C:79 13.70 -11.68 C:34 18.65 -4.52 C:33 18.65 -7.39 C:44 17.42 -6.67 C:59 12.47 -9.53 C:48 14.94 -9.53 C:38 13.70 -8.82 C:39 16.17 -7.39 C:39 16.17 -8.82 C:48 12.47 -10.96 30 1 -1 31 2 -2 32 3 -2 25 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -2 35 10 -1 36 11 -1 12 24 2 26 13 -2 27 14 -1 15 16 1 15 24 1 16 31 1 17 18 1 17 29 1 18 35 1 19 20 1 19 33 1 20 34 1 21 26 1 21 29 1 22 27 1 22 32 1 23 28 1 23 30 1 24 25 1 25 36 1 26 28 1 27 36 1 29 30 1 30 34 1 31 33 1 31 36 1 32 33 1 32 35 1 34 35 1', 'C30H50O3', 458.343, 'C', 'ttr_52_14989_3', 2237, '', '', '1', 1, NULL, NULL),
(2173, '', '2,3,22b-trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione-23-al', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@@:18]15[CH2:19][C@@H:20]([CH3:30])[C:21](=O)[C@@H:22](O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]4([CH3:26])[C:8]3=[CH:7][C:6](=O)[c:5]2[c:4]([CH:23]=O)[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@@]15C[C@@H](C)C(=O)[C@@H](O)[C@]1(C)CC[C@]4(C)C3=CC(=O)c2c(C=O)c(O)c(O)cc2[C@]3(C)CC[C@]45C', '[H][C@@:45]15[CH2:32][C@@H:41]([CH3:15])[C:213](=O)[C@@H:77](O)[C@:44]1([CH3:25])[CH2:30][CH2:28][C@:45]4([CH3:21])[C:173]3=[CH:125][C:186](=O)[c:123]2[c:117]([CH:200]=O)[c:150](O)[c:149](O)[cH:116][c:150]2[C@:40]3([CH3:38])[CH2:34][CH2:30][C@:40]45[CH3:20]', '35 39 H 17.99 -10.52 C:30 19.19 -5.88 C:25 14.31 -12.93 C:26 16.81 -12.93 C:28 19.20 -8.68 C:27 16.75 -8.68 O 10.68 -16.45 O 14.31 -15.72 O 21.62 -7.26 O 9.48 -11.51 O 9.48 -14.32 O 21.62 -10.09 C:23 11.88 -15.75 C:7 15.54 -13.63 C:1 11.88 -11.51 C:11 14.31 -10.10 C:15 17.99 -12.22 C:16 19.20 -11.51 C:12 15.54 -9.39 C:19 17.99 -7.96 C:6 14.31 -14.34 C:21 20.42 -7.96 C:8 15.54 -12.22 C:2 10.67 -12.22 C:3 10.67 -13.63 C:4 11.88 -14.34 C:10 13.10 -12.22 C:5 13.10 -13.63 C:20 19.20 -7.26 C:22 20.42 -9.39 C:9 14.31 -11.51 C:14 16.75 -11.51 C:18 17.99 -9.39 C:17 19.20 -10.10 C:13 16.75 -10.10 33 1 -1 29 2 -1 31 3 -1 32 4 -1 34 5 -1 35 6 -2 7 13 2 8 21 2 9 22 2 10 24 1 11 25 1 30 12 -1 13 26 1 14 21 1 14 23 2 15 24 2 15 27 1 16 19 1 16 31 1 17 18 1 17 32 1 18 34 1 19 35 1 20 29 1 20 33 1 21 28 1 22 29 1 22 30 1 23 31 1 23 32 1 24 25 1 25 26 2 26 28 1 27 28 2 27 31 1 30 34 1 32 35 1 33 34 1 33 35 1', '35 39 H 17.99 -10.52 C 19.19 -5.88 C 14.31 -12.93 C 16.81 -12.93 C 19.20 -8.68 C 16.75 -8.68 O 10.68 -16.45 O 14.31 -15.72 O 21.62 -7.26 O 9.48 -11.51 O 9.48 -14.32 O 21.62 -10.09 C 11.88 -15.75 C 15.54 -13.63 C 11.88 -11.51 C 14.31 -10.10 C 17.99 -12.22 C 19.20 -11.51 C 15.54 -9.39 C 17.99 -7.96 C 14.31 -14.34 C 20.42 -7.96 C 15.54 -12.22 C 10.67 -12.22 C 10.67 -13.63 C 11.88 -14.34 C 13.10 -12.22 C 13.10 -13.63 C 19.20 -7.26 C 20.42 -9.39 C 14.31 -11.51 C 16.75 -11.51 C 17.99 -9.39 C 19.20 -10.10 C 16.75 -10.10 33 1 -1 29 2 -1 31 3 -1 32 4 -1 34 5 -1 35 6 -2 7 13 2 8 21 2 9 22 2 10 24 1 11 25 1 30 12 -1 13 26 1 14 21 1 14 23 2 15 24 2 15 27 1 16 19 1 16 31 1 17 18 1 17 32 1 18 34 1 19 35 1 20 29 1 20 33 1 21 28 1 22 29 1 22 30 1 23 31 1 23 32 1 24 25 1 25 26 2 26 28 1 27 28 2 27 31 1 30 34 1 32 35 1 33 34 1 33 35 1', '35 39 H 17.99 -10.52 C:15 19.19 -5.88 C:38 14.31 -12.93 C:21 16.81 -12.93 C:25 19.20 -8.68 C:20 16.75 -8.68 O 10.68 -16.45 O 14.31 -15.72 O 21.62 -7.26 O 9.48 -11.51 O 9.48 -14.32 O 21.62 -10.09 C:200 11.88 -15.75 C:125 15.54 -13.63 C:116 11.88 -11.51 C:34 14.31 -10.10 C:28 17.99 -12.22 C:30 19.20 -11.51 C:30 15.54 -9.39 C:32 17.99 -7.96 C:186 14.31 -14.34 C:213 20.42 -7.96 C:173 15.54 -12.22 C:149 10.67 -12.22 C:150 10.67 -13.63 C:117 11.88 -14.34 C:150 13.10 -12.22 C:123 13.10 -13.63 C:41 19.20 -7.26 C:77 20.42 -9.39 C:40 14.31 -11.51 C:45 16.75 -11.51 C:45 17.99 -9.39 C:44 19.20 -10.10 C:40 16.75 -10.10 33 1 -1 29 2 -1 31 3 -1 32 4 -1 34 5 -1 35 6 -2 7 13 2 8 21 2 9 22 2 10 24 1 11 25 1 30 12 -1 13 26 1 14 21 1 14 23 2 15 24 2 15 27 1 16 19 1 16 31 1 17 18 1 17 32 1 18 34 1 19 35 1 20 29 1 20 33 1 21 28 1 22 29 1 22 30 1 23 31 1 23 32 1 24 25 1 25 26 2 26 28 1 27 28 2 27 31 1 30 34 1 32 35 1 33 34 1 33 35 1', 'C28H34O6', 466.304, 'C', 'ttr_54_13579_1', 351, '', '', '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
(2196, 'Celasdin-A', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH2:29]O)[CH2:21][CH2:22][C@:17]3([CH3:28])[C@H:16](O)[CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(CO)CC[C@]3(C)[C@H](O)C[C@]45C', '[H][C@@:59]12[CH2:22][CH2:41][C:213](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:18][C@@:53]4([H])[C@@:37]2([CH3:18])[CH2:36][CH2:31][C@@:40]5([CH3:21])[C@:45]3([H])[CH2:28][C@:33]([CH3:29])([CH2:71]O)[CH2:30][CH2:35][C@:36]3([CH3:25])[C@H:75](O)[CH2:44][C@:39]45[CH3:20]', '36 40 C:5 16.55 -12.76 C:10 16.55 -11.33 C:1 15.32 -10.62 C:2 14.09 -11.33 C:3 14.09 -12.76 C:4 15.32 -13.48 C:6 17.80 -13.48 C:7 19.04 -12.76 C:8 19.04 -11.33 C:9 17.80 -10.62 C:14 20.27 -10.62 C:13 20.27 -9.19 C:12 19.04 -8.48 C:11 17.80 -9.19 C:15 21.51 -11.33 C:16 22.74 -10.62 C:17 22.74 -9.19 C:18 21.51 -8.48 C:22 23.97 -8.48 C:21 23.97 -7.04 C:20 22.74 -6.33 C:19 21.51 -7.04 C:26 20.32 -12.05 C:27 20.27 -7.76 C:30 21.86 -5.18 C:29 23.54 -5.13 C:28 22.74 -7.76 C:23 15.32 -14.91 C:24 16.55 -14.20 C:25 17.80 -12.05 H 21.51 -9.62 H 19.04 -10.30 H 16.55 -10.30 O 12.89 -13.47 O 24.93 -5.23 O 23.94 -11.33 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 26 35 1 16 36 -2', '36 40 C 16.55 -12.76 C 16.55 -11.33 C 15.32 -10.62 C 14.09 -11.33 C 14.09 -12.76 C 15.32 -13.48 C 17.80 -13.48 C 19.04 -12.76 C 19.04 -11.33 C 17.80 -10.62 C 20.27 -10.62 C 20.27 -9.19 C 19.04 -8.48 C 17.80 -9.19 C 21.51 -11.33 C 22.74 -10.62 C 22.74 -9.19 C 21.51 -8.48 C 23.97 -8.48 C 23.97 -7.04 C 22.74 -6.33 C 21.51 -7.04 C 20.32 -12.05 C 20.27 -7.76 C 21.86 -5.18 C 23.54 -5.13 C 22.74 -7.76 C 15.32 -14.91 C 16.55 -14.20 C 17.80 -12.05 H 21.51 -9.62 H 19.04 -10.30 H 16.55 -10.30 O 12.89 -13.47 O 24.93 -5.23 O 23.94 -11.33 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 26 35 1 16 36 -2', '36 40 C:42 16.55 -12.76 C:59 16.55 -11.33 C:22 15.32 -10.62 C:41 14.09 -11.33 C:213 14.09 -12.76 C:58 15.32 -13.48 C:41 17.80 -13.48 C:18 19.04 -12.76 C:53 19.04 -11.33 C:37 17.80 -10.62 C:39 20.27 -10.62 C:40 20.27 -9.19 C:31 19.04 -8.48 C:36 17.80 -9.19 C:44 21.51 -11.33 C:75 22.74 -10.62 C:36 22.74 -9.19 C:45 21.51 -8.48 C:35 23.97 -8.48 C:30 23.97 -7.04 C:33 22.74 -6.33 C:28 21.51 -7.04 C:20 20.32 -12.05 C:21 20.27 -7.76 C:29 21.86 -5.18 C:71 23.54 -5.13 C:25 22.74 -7.76 C:7 15.32 -14.91 C:15 16.55 -14.20 C:18 17.80 -12.05 H 21.51 -9.62 H 19.04 -10.30 H 16.55 -10.30 O 12.89 -13.47 O 24.93 -5.23 O 23.94 -11.33 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 26 35 1 16 36 -2', 'C30H50O3', 458.343, 'C', 'ph_44_1275_2', 1224, '', '', '1', 1, NULL, NULL),
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(2204, 'Lotoideside B ', '(3-O-b-D-xylopyranosyl (1 ! 2)-a-L-rhamnopyranosyl-22-O-b-D-glucopyranosyl-6a,16bdihydroxyhopane)', 'Terpenoids', 'Triterpenoids', 'Hopanes', '[H][C@:13]57[CH2:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][CH:3](O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]1O[C@@H:201]2O[CH2:205][C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@@:4]([CH3:24])([CH3:23])[C@:5]3([H])[C@@H:6](O)[CH2:7][C@@:8]4([CH3:26])[C@:14]5([CH3:27])[CH2:15][C@H:16](O)[C@@:17]8([H])[C@@H:21]([C:22]([CH3:29])([CH3:30])O[C@@H:401]6O[C@H:405]([CH2:406]O)[C@@H:404](O)[C@H:403](O)[C@H:402]6O)[CH2:20][CH2:19][C@:18]78[CH3:28]', '[H][C@]57CC[C@]4([H])[C@@]3(C)CCC(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(C)[C@]3([H])[C@@H](O)C[C@@]4(C)[C@]5(C)C[C@H](O)[C@@]8([H])[C@@H](C(C)(C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]78C', 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16.06 -9.86 C:61 21.12 -8.41 C:46 19.83 -7.68 C:39 14.81 -10.60 C:43 17.33 -10.60 C:44 18.56 -9.86 C:62 14.81 -12.04 49 1 -1 50 2 -2 51 3 -1 56 4 -2 5 47 1 6 47 1 48 7 -2 48 8 -1 52 9 -2 53 10 -1 54 11 -1 55 12 -2 35 13 -2 36 14 -2 37 15 -2 38 16 -1 39 17 -2 40 18 -2 41 19 -1 20 47 1 21 23 1 21 42 1 22 24 1 22 46 1 23 53 1 24 52 1 25 26 1 25 49 1 26 50 1 27 31 1 27 35 1 28 32 1 28 36 1 29 37 1 29 54 1 30 43 1 30 55 1 31 44 1 32 45 1 33 42 1 44 33 -1 43 34 -1 45 34 -1 35 38 1 36 39 1 37 56 1 38 40 1 39 41 1 40 44 1 41 45 1 42 48 1 43 51 1 46 47 -2 46 51 1 48 56 1 49 52 1 49 55 1 50 53 1 50 54 1 51 52 1 53 56 1 54 55 1', 'C40H68O12', 740.453, 'P', 'PH_66_621_4', 219, '', '', '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
(2207, 'Lotoideside E', '(3-O-b-D-xylopyranosyl-6a-O-b-D-xylopyranosyl-16b,22-dihydroxyhopane)', 'Terpenoids', 'Triterpenoids', 'Hopanes', '[H][C@:13]56[CH2:12][CH2:11][C@:9]4([H])[C@@:10]2([CH3:25])[CH2:1][CH2:2][CH:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@@:4]([CH3:24])([CH3:23])[C@:5]2([H])[C@@H:6](O[C@@H:201]3O[CH2:205][C@@H:204](O)[C@H:203](O)[C@H:202]3O)[CH2:7][C@@:8]4([CH3:26])[C@:14]5([CH3:27])[CH2:15][C@H:16](O)[C@@:17]7([H])[C@@H:21]([C:22]([CH3:29])([CH3:30])O)[CH2:20][CH2:19][C@:18]67[CH3:28]', '[H][C@]56CC[C@]4([H])[C@@]2(C)CCC(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@](C)(C)[C@]2([H])[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@@]4(C)[C@]5(C)C[C@H](O)[C@@]7([H])[C@@H](C(C)(C)O)CC[C@]67C', '[H][C@:49]56[CH2:24][CH2:21][C@:50]4([H])[C@@:39]2([CH3:18])[CH2:39][CH2:27][CH:90](O[C@@H:108]1O[CH2:67][C@@H:71](O)[C@H:79](O)[C@H:76]1O)[C@@:41]([CH3:17])([CH3:31])[C@:61]2([H])[C@@H:80](O[C@@H:107]3O[CH2:67][C@@H:71](O)[C@H:79](O)[C@H:75]3O)[CH2:44][C@@:43]4([CH3:19])[C@:44]5([CH3:19])[CH2:45][C@H:67](O)[C@@:62]7([H])[C@@H:52]([C:73]([CH3:32])([CH3:28])O)[CH2:28][CH2:42][C@:46]67[CH3:18]', '56 62 H 18.60 -6.29 H 16.11 -9.79 H 21.16 -6.29 H 14.86 -11.97 C:29 24.04 -8.02 C:30 24.51 -5.65 C:24 12.75 -13.00 C:23 14.44 -12.92 C:28 19.87 -8.06 C:25 14.86 -8.13 C:27 18.60 -10.30 C:26 17.37 -8.13 O 6.30 -8.99 O 20.95 -16.00 O 22.38 -9.53 O 6.31 -11.77 O 18.51 -17.38 O 8.75 -13.15 O 16.08 -15.96 O 24.98 -6.96 C:2 12.37 -9.59 C:20 21.62 -5.13 C:1 13.60 -8.85 C:19 20.17 -5.29 C:12 17.37 -6.67 C:11 16.11 -7.40 C:105 8.73 -8.96 C:205 19.73 -13.89 C:15 19.87 -9.59 C:7 17.37 -11.03 O 9.95 -9.66 O 18.53 -13.18 O 11.17 -11.74 O 16.10 -13.16 C:104 7.52 -9.68 C:204 19.72 -15.29 C:16 21.16 -8.85 C:103 7.52 -11.07 C:203 18.51 -15.98 C:102 8.75 -11.76 C:202 17.30 -15.27 C:3 12.37 -11.03 C:6 16.11 -11.76 C:101 9.95 -11.05 C:201 17.30 -13.87 C:21 22.20 -6.43 C:22 23.60 -6.70 C:4 13.60 -11.76 C:13 18.60 -7.40 C:9 16.11 -8.85 C:17 21.16 -7.40 C:18 19.87 -6.67 C:10 14.86 -9.59 C:14 18.60 -8.85 C:8 17.37 -9.59 C:5 14.86 -11.03 49 1 -1 50 2 -2 51 3 -1 56 4 -2 5 47 1 6 47 1 48 7 -1 48 8 -2 52 9 -2 53 10 -1 54 11 -2 55 12 -1 35 13 -2 36 14 -1 37 15 -1 38 16 -1 39 17 -2 40 18 -2 41 19 -1 20 47 1 21 23 1 21 42 1 22 24 1 22 46 1 23 53 1 24 52 1 25 26 1 25 49 1 26 50 1 27 31 1 27 35 1 28 32 1 28 36 1 29 37 1 29 54 1 30 43 1 30 55 1 31 44 1 32 45 1 33 42 1 44 33 -1 43 34 -2 45 34 -2 35 38 1 36 39 1 37 51 1 38 40 1 39 41 1 40 44 1 41 45 1 42 48 1 43 56 1 46 47 -2 46 51 1 48 56 1 49 52 1 49 54 1 50 53 1 50 55 1 51 52 1 53 56 1 54 55 1', '56 62 H 18.60 -6.29 H 16.11 -9.79 H 21.16 -6.29 H 14.86 -11.97 C 24.04 -8.02 C 24.51 -5.65 C 12.75 -13.00 C 14.44 -12.92 C 19.87 -8.06 C 14.86 -8.13 C 18.60 -10.30 C 17.37 -8.13 O 6.30 -8.99 O 20.95 -16.00 O 22.38 -9.53 O 6.31 -11.77 O 18.51 -17.38 O 8.75 -13.15 O 16.08 -15.96 O 24.98 -6.96 C 12.37 -9.59 C 21.62 -5.13 C 13.60 -8.85 C 20.17 -5.29 C 17.37 -6.67 C 16.11 -7.40 C 8.73 -8.96 C 19.73 -13.89 C 19.87 -9.59 C 17.37 -11.03 O 9.95 -9.66 O 18.53 -13.18 O 11.17 -11.74 O 16.10 -13.16 C 7.52 -9.68 C 19.72 -15.29 C 21.16 -8.85 C 7.52 -11.07 C 18.51 -15.98 C 8.75 -11.76 C 17.30 -15.27 C 12.37 -11.03 C 16.11 -11.76 C 9.95 -11.05 C 17.30 -13.87 C 22.20 -6.43 C 23.60 -6.70 C 13.60 -11.76 C 18.60 -7.40 C 16.11 -8.85 C 21.16 -7.40 C 19.87 -6.67 C 14.86 -9.59 C 18.60 -8.85 C 17.37 -9.59 C 14.86 -11.03 49 1 -1 50 2 -2 51 3 -1 56 4 -2 5 47 1 6 47 1 48 7 -1 48 8 -2 52 9 -2 53 10 -1 54 11 -2 55 12 -1 35 13 -2 36 14 -1 37 15 -1 38 16 -1 39 17 -2 40 18 -2 41 19 -1 20 47 1 21 23 1 21 42 1 22 24 1 22 46 1 23 53 1 24 52 1 25 26 1 25 49 1 26 50 1 27 31 1 27 35 1 28 32 1 28 36 1 29 37 1 29 54 1 30 43 1 30 55 1 31 44 1 32 45 1 33 42 1 44 33 -1 43 34 -2 45 34 -2 35 38 1 36 39 1 37 51 1 38 40 1 39 41 1 40 44 1 41 45 1 42 48 1 43 56 1 46 47 -2 46 51 1 48 56 1 49 52 1 49 54 1 50 53 1 50 55 1 51 52 1 53 56 1 54 55 1', '56 62 H 18.60 -6.29 H 16.11 -9.79 H 21.16 -6.29 H 14.86 -11.97 C:32 24.04 -8.02 C:28 24.51 -5.65 C:17 12.75 -13.00 C:31 14.44 -12.92 C:18 19.87 -8.06 C:18 14.86 -8.13 C:19 18.60 -10.30 C:19 17.37 -8.13 O 6.30 -8.99 O 20.95 -16.00 O 22.38 -9.53 O 6.31 -11.77 O 18.51 -17.38 O 8.75 -13.15 O 16.08 -15.96 O 24.98 -6.96 C:27 12.37 -9.59 C:28 21.62 -5.13 C:39 13.60 -8.85 C:42 20.17 -5.29 C:24 17.37 -6.67 C:21 16.11 -7.40 C:67 8.73 -8.96 C:67 19.73 -13.89 C:45 19.87 -9.59 C:44 17.37 -11.03 O 9.95 -9.66 O 18.53 -13.18 O 11.17 -11.74 O 16.10 -13.16 C:71 7.52 -9.68 C:71 19.72 -15.29 C:67 21.16 -8.85 C:79 7.52 -11.07 C:79 18.51 -15.98 C:76 8.75 -11.76 C:75 17.30 -15.27 C:90 12.37 -11.03 C:80 16.11 -11.76 C:108 9.95 -11.05 C:107 17.30 -13.87 C:52 22.20 -6.43 C:73 23.60 -6.70 C:41 13.60 -11.76 C:49 18.60 -7.40 C:50 16.11 -8.85 C:62 21.16 -7.40 C:46 19.87 -6.67 C:39 14.86 -9.59 C:44 18.60 -8.85 C:43 17.37 -9.59 C:61 14.86 -11.03 49 1 -1 50 2 -2 51 3 -1 56 4 -2 5 47 1 6 47 1 48 7 -1 48 8 -2 52 9 -2 53 10 -1 54 11 -2 55 12 -1 35 13 -2 36 14 -1 37 15 -1 38 16 -1 39 17 -2 40 18 -2 41 19 -1 20 47 1 21 23 1 21 42 1 22 24 1 22 46 1 23 53 1 24 52 1 25 26 1 25 49 1 26 50 1 27 31 1 27 35 1 28 32 1 28 36 1 29 37 1 29 54 1 30 43 1 30 55 1 31 44 1 32 45 1 33 42 1 44 33 -1 43 34 -2 45 34 -2 35 38 1 36 39 1 37 51 1 38 40 1 39 41 1 40 44 1 41 45 1 42 48 1 43 56 1 46 47 -2 46 51 1 48 56 1 49 52 1 49 54 1 50 53 1 50 55 1 51 52 1 53 56 1 54 55 1', 'C40H68O12', 740.453, 'P', 'PH_66_621_5', 219, '', '', '1', 1, NULL, NULL),
(2208, 'Lotoideside F', '(3-O-b-D-xylopyranosyl-22-O-b-D-glucopyranosyl-16-hydroxyhopan-6-one)', 'Terpenoids', 'Triterpenoids', 'Hopanes', '[H][C@:9]46[CH2:11][CH2:12][C@:13]3([H])[C@@:18]2([CH3:28])[CH2:19][CH2:20][C@H:21]([C:22]([CH3:29])([CH3:30])O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@:17]2([H])[C@@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][C:6](=O)[C@@:5]7([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O[C@@H:101]5O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]5O)[CH2:2][CH2:1][C@:10]67[CH3:25]', '[H][C@]46CC[C@]3([H])[C@@]2(C)CC[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])[C@@H](O)C[C@@]3(C)[C@]4(C)CC(=O)[C@@]7([H])[C@](C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]67C', '[H][C@:50]46[CH2:22][CH2:24][C@:49]3([H])[C@@:46]2([CH3:17])[CH2:42][CH2:28][C@H:51]([C:83]([CH3:26])([CH3:25])O[C@@H:99]1O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]1O)[C@:62]2([H])[C@@H:66](O)[CH2:44][C@@:44]3([CH3:19])[C@:49]4([CH3:17])[CH2:52][C:212](=O)[C@@:65]7([H])[C@:39]([CH3:17])([CH3:28])[C@@H:88](O[C@@H:108]5O[CH2:67][C@@H:71](O)[C@H:79](O)[C@H:76]5O)[CH2:27][CH2:40][C@:44]67[CH3:17]', '58 64 H 14.20 -11.79 H 16.69 -8.29 H 19.24 -8.29 H 12.95 -13.98 C:29 22.12 -10.02 C:30 22.59 -7.65 C:24 10.84 -15.01 C:23 12.53 -14.93 C:28 17.96 -10.06 C:25 12.95 -10.13 C:26 15.46 -10.13 C:27 16.69 -12.31 O 14.22 -15.17 O 20.76 -13.45 O 4.39 -10.99 O 20.46 -11.53 O 4.40 -13.78 O 26.72 -12.13 O 24.89 -14.25 O 6.84 -15.16 O 25.81 -9.49 C:206 22.14 -13.72 C:2 10.46 -11.59 C:20 19.70 -7.13 C:105 6.82 -10.96 C:1 11.69 -10.85 C:19 18.26 -7.29 C:11 14.20 -9.40 C:12 15.46 -8.67 C:7 15.46 -13.04 C:15 17.96 -11.59 O 8.04 -11.66 O 22.62 -11.36 O 9.26 -13.75 O 23.06 -8.96 C:6 14.20 -13.77 C:104 5.61 -11.68 C:16 19.24 -10.85 C:103 5.61 -13.08 C:203 25.35 -11.87 C:204 24.43 -12.93 C:102 6.84 -13.77 C:202 24.89 -10.55 C:205 23.06 -12.67 C:101 8.04 -13.06 C:201 23.52 -10.29 C:3 10.46 -13.04 C:21 20.28 -8.43 C:22 21.68 -8.70 C:4 11.69 -13.77 C:9 14.20 -10.85 C:13 16.69 -9.40 C:17 19.24 -9.40 C:18 17.96 -8.67 C:10 12.95 -11.59 C:8 15.46 -11.59 C:14 16.69 -10.85 C:5 12.95 -13.04 51 1 -2 52 2 -1 53 3 -1 58 4 -2 5 49 1 6 49 1 50 7 -1 50 8 -2 54 9 -2 55 10 -1 56 11 -1 57 12 -2 13 36 2 14 22 1 37 15 -2 38 16 -1 39 17 -1 40 18 -1 41 19 -2 42 20 -2 43 21 -2 44 22 -1 23 26 1 23 47 1 24 27 1 24 48 1 25 32 1 25 37 1 26 55 1 27 54 1 28 29 1 28 51 1 29 52 1 30 36 1 30 56 1 31 38 1 31 57 1 32 45 1 33 44 1 33 46 1 45 34 -1 47 34 -1 46 35 -1 35 49 1 36 58 1 37 39 1 38 53 1 39 42 1 40 41 1 40 43 1 41 44 1 42 45 1 43 46 1 47 50 1 48 49 -2 48 53 1 50 58 1 51 55 1 51 56 1 52 54 1 52 57 1 53 54 1 55 58 1 56 57 1', '58 64 H 14.20 -11.79 H 16.69 -8.29 H 19.24 -8.29 H 12.95 -13.98 C 22.12 -10.02 C 22.59 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(2218, 'Fomitoside A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]45[CH2:6][CH2:7][C:8]2=[C:9]([CH2:11][CH2:12][C@:13]3([CH3:18])[C@@H:17]([C@@H:20]([CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])O)[C:21](=O)O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:16][CH2:15][C@@:14]23[CH3:30])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]5([CH3:28])[CH3:29]', '[H][C@@]45CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CC=CC(C)(C)O)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]23C)[C@@]4(C)CCC(=O)[C@]5(C)C', '[H][C@@:52]45[CH2:20][CH2:27][C:135]2=[C:134]([CH2:22][CH2:29][C@:45]3([CH3:17])[C@@H:48]([C@@H:49]([CH2:36][CH:123]=[CH:143][C:70]([CH3:31])([CH3:31])O)[C:175](=O)O[C@@H:97]1O[CH2:68][C@@H:71](O)[C@H:79](O)[C@H:74]1O)[CH2:27][CH2:31][C@@:50]23[CH3:25])[C@@:37]4([CH3:19])[CH2:36][CH2:35][C:216](=O)[C@:48]5([CH3:27])[CH3:22]', '44 48 H 14.96 -16.30 C:27 24.63 -12.72 C:26 26.45 -11.12 C:29 12.96 -17.13 C:28 14.47 -17.18 C:19 14.96 -12.36 C:30 18.71 -14.51 C:18 18.70 -10.28 O 11.35 -15.96 O 18.16 -9.18 O 16.13 -3.47 O 18.86 -2.84 O 20.75 -4.89 O 25.97 -12.45 C:23 22.75 -10.65 C:24 24.14 -10.37 C:2 12.53 -13.79 C:7 17.46 -15.24 C:11 16.23 -11.66 C:22 21.82 -9.62 C:16 20.82 -12.36 C:1 13.74 -13.06 C:6 16.23 -15.93 C:12 17.46 -10.96 C:15 20.00 -13.47 C:105 16.67 -5.82 O 17.62 -6.85 O 19.93 -7.56 C:3 12.53 -15.24 C:21 19.51 -8.88 C:9 16.23 -13.06 C:8 17.46 -13.79 C:104 17.08 -4.49 C:103 18.45 -4.18 C:102 19.39 -5.19 C:20 20.44 -9.91 C:101 18.99 -6.54 C:17 20.00 -11.24 C:25 25.07 -11.41 C:4 13.74 -15.93 C:10 14.96 -13.79 C:14 18.69 -13.06 C:5 14.96 -15.24 C:13 18.69 -11.66 43 1 -2 2 39 1 3 39 1 40 4 -1 40 5 -2 41 6 -1 42 7 -2 44 8 -1 9 29 2 10 30 2 33 11 -1 34 12 -2 35 13 -1 14 39 1 15 16 2 15 20 1 16 39 1 17 22 1 17 29 1 18 23 1 18 32 1 19 24 1 19 31 1 20 36 1 21 25 1 21 38 1 22 41 1 23 43 1 24 44 1 25 42 1 26 27 1 26 33 1 27 37 1 28 30 1 37 28 -2 29 40 1 36 30 -2 31 32 2 31 41 1 32 42 1 33 34 1 34 35 1 35 37 1 38 36 -1 38 44 1 40 43 1 41 43 1 42 44 1', '44 48 H 14.96 -16.30 C 24.63 -12.72 C 26.45 -11.12 C 12.96 -17.13 C 14.47 -17.18 C 14.96 -12.36 C 18.71 -14.51 C 18.70 -10.28 O 11.35 -15.96 O 18.16 -9.18 O 16.13 -3.47 O 18.86 -2.84 O 20.75 -4.89 O 25.97 -12.45 C 22.75 -10.65 C 24.14 -10.37 C 12.53 -13.79 C 17.46 -15.24 C 16.23 -11.66 C 21.82 -9.62 C 20.82 -12.36 C 13.74 -13.06 C 16.23 -15.93 C 17.46 -10.96 C 20.00 -13.47 C 16.67 -5.82 O 17.62 -6.85 O 19.93 -7.56 C 12.53 -15.24 C 19.51 -8.88 C 16.23 -13.06 C 17.46 -13.79 C 17.08 -4.49 C 18.45 -4.18 C 19.39 -5.19 C 20.44 -9.91 C 18.99 -6.54 C 20.00 -11.24 C 25.07 -11.41 C 13.74 -15.93 C 14.96 -13.79 C 18.69 -13.06 C 14.96 -15.24 C 18.69 -11.66 43 1 -2 2 39 1 3 39 1 40 4 -1 40 5 -2 41 6 -1 42 7 -2 44 8 -1 9 29 2 10 30 2 33 11 -1 34 12 -2 35 13 -1 14 39 1 15 16 2 15 20 1 16 39 1 17 22 1 17 29 1 18 23 1 18 32 1 19 24 1 19 31 1 20 36 1 21 25 1 21 38 1 22 41 1 23 43 1 24 44 1 25 42 1 26 27 1 26 33 1 27 37 1 28 30 1 37 28 -2 29 40 1 36 30 -2 31 32 2 31 41 1 32 42 1 33 34 1 34 35 1 35 37 1 38 36 -1 38 44 1 40 43 1 41 43 1 42 44 1', '44 48 H 14.96 -16.30 C:31 24.63 -12.72 C:31 26.45 -11.12 C:22 12.96 -17.13 C:27 14.47 -17.18 C:19 14.96 -12.36 C:25 18.71 -14.51 C:17 18.70 -10.28 O 11.35 -15.96 O 18.16 -9.18 O 16.13 -3.47 O 18.86 -2.84 O 20.75 -4.89 O 25.97 -12.45 C:123 22.75 -10.65 C:143 24.14 -10.37 C:35 12.53 -13.79 C:27 17.46 -15.24 C:22 16.23 -11.66 C:36 21.82 -9.62 C:27 20.82 -12.36 C:36 13.74 -13.06 C:20 16.23 -15.93 C:29 17.46 -10.96 C:31 20.00 -13.47 C:68 16.67 -5.82 O 17.62 -6.85 O 19.93 -7.56 C:216 12.53 -15.24 C:175 19.51 -8.88 C:134 16.23 -13.06 C:135 17.46 -13.79 C:71 17.08 -4.49 C:79 18.45 -4.18 C:74 19.39 -5.19 C:49 20.44 -9.91 C:97 18.99 -6.54 C:48 20.00 -11.24 C:70 25.07 -11.41 C:48 13.74 -15.93 C:37 14.96 -13.79 C:50 18.69 -13.06 C:52 14.96 -15.24 C:45 18.69 -11.66 43 1 -2 2 39 1 3 39 1 40 4 -1 40 5 -2 41 6 -1 42 7 -2 44 8 -1 9 29 2 10 30 2 33 11 -1 34 12 -2 35 13 -1 14 39 1 15 16 2 15 20 1 16 39 1 17 22 1 17 29 1 18 23 1 18 32 1 19 24 1 19 31 1 20 36 1 21 25 1 21 38 1 22 41 1 23 43 1 24 44 1 25 42 1 26 27 1 26 33 1 27 37 1 28 30 1 37 28 -2 29 40 1 36 30 -2 31 32 2 31 41 1 32 42 1 33 34 1 34 35 1 35 37 1 38 36 -1 38 44 1 40 43 1 41 43 1 42 44 1', 'C35H54O8', 602.378, 'P', 'np_05_69_3', 2532, '', '', '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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(2229, 'Polyporenic acid A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[C:26](=O)O)[CH2:16][CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CCC1=C(CC[C@]2(C)[C@@H]([C@H](C)CCC(=C)C(C)C(=O)O)CC[C@@]12C)[C@@]3(C)CC[C@@H](O)[C@]4(C)C', '[H][C@@:44]34[CH2:18][CH2:26][C:135]1=[C:134]([CH2:33][CH2:73][C@:50]2([CH3:16])[C@@H:43]([C@H:36]([CH3:18])[CH2:35][CH2:32][C:150](=[CH2:111])[CH:46]([CH3:17])[C:180](=O)O)[CH2:28][CH2:32][C@@:50]12[CH3:24])[C@@:38]3([CH3:19])[CH2:30][CH2:26][C@@H:76](O)[C@:37]4([CH3:28])[CH3:22]', '35 38 H 14.50 -13.28 C:27 24.14 -9.70 C:26 25.95 -8.09 C:29 12.51 -14.11 C:28 14.01 -14.16 C:19 14.50 -9.35 C:30 18.25 -11.48 C:18 18.24 -7.26 O 10.90 -12.94 C:24 23.65 -7.34 C:23 22.26 -7.63 C:7 16.99 -12.20 C:11 15.77 -8.65 C:22 21.34 -6.62 C:2 12.07 -10.77 C:16 20.34 -9.35 C:6 15.77 -12.90 C:12 16.99 -7.94 C:1 13.29 -10.04 C:15 19.54 -10.45 C:25 24.58 -8.40 C:21 19.05 -5.86 C:9 15.77 -10.04 C:8 16.99 -10.77 C:3 12.07 -12.20 C:20 19.95 -6.90 C:17 19.54 -8.22 C:4 13.29 -12.90 C:5 14.50 -12.20 C:10 14.50 -10.77 C:14 18.23 -10.04 C:13 18.23 -8.65 C:24001 24.09 -6.02 O 26.90 -9.12 O 26.37 -6.76 29 1 -2 2 21 1 3 21 1 28 4 -1 28 5 -2 30 6 -1 31 7 -2 32 8 -1 25 9 -2 10 11 1 10 21 1 11 14 1 12 17 1 12 24 1 13 18 1 13 23 1 14 26 1 15 19 1 15 25 1 16 20 1 16 27 1 17 29 1 18 32 1 19 30 1 20 31 1 26 22 -2 23 24 2 23 30 1 24 31 1 25 28 1 27 26 -1 27 32 1 28 29 1 29 30 1 31 32 1 10 33 2 3 34 1 3 35 2', '35 38 H 14.50 -13.28 C 24.14 -9.70 C 25.95 -8.09 C 12.51 -14.11 C 14.01 -14.16 C 14.50 -9.35 C 18.25 -11.48 C 18.24 -7.26 O 10.90 -12.94 C 23.65 -7.34 C 22.26 -7.63 C 16.99 -12.20 C 15.77 -8.65 C 21.34 -6.62 C 12.07 -10.77 C 20.34 -9.35 C 15.77 -12.90 C 16.99 -7.94 C 13.29 -10.04 C 19.54 -10.45 C 24.58 -8.40 C 19.05 -5.86 C 15.77 -10.04 C 16.99 -10.77 C 12.07 -12.20 C 19.95 -6.90 C 19.54 -8.22 C 13.29 -12.90 C 14.50 -12.20 C 14.50 -10.77 C 18.23 -10.04 C 18.23 -8.65 C 24.09 -6.02 O 26.90 -9.12 O 26.37 -6.76 29 1 -2 2 21 1 3 21 1 28 4 -1 28 5 -2 30 6 -1 31 7 -2 32 8 -1 25 9 -2 10 11 1 10 21 1 11 14 1 12 17 1 12 24 1 13 18 1 13 23 1 14 26 1 15 19 1 15 25 1 16 20 1 16 27 1 17 29 1 18 32 1 19 30 1 20 31 1 26 22 -2 23 24 2 23 30 1 24 31 1 25 28 1 27 26 -1 27 32 1 28 29 1 29 30 1 31 32 1 10 33 2 3 34 1 3 35 2', '35 38 H 14.50 -13.28 C:17 24.14 -9.70 C:180 25.95 -8.09 C:22 12.51 -14.11 C:28 14.01 -14.16 C:19 14.50 -9.35 C:24 18.25 -11.48 C:16 18.24 -7.26 O 10.90 -12.94 C:150 23.65 -7.34 C:32 22.26 -7.63 C:26 16.99 -12.20 C:33 15.77 -8.65 C:35 21.34 -6.62 C:26 12.07 -10.77 C:28 20.34 -9.35 C:18 15.77 -12.90 C:73 16.99 -7.94 C:30 13.29 -10.04 C:32 19.54 -10.45 C:46 24.58 -8.40 C:18 19.05 -5.86 C:134 15.77 -10.04 C:135 16.99 -10.77 C:76 12.07 -12.20 C:36 19.95 -6.90 C:43 19.54 -8.22 C:37 13.29 -12.90 C:44 14.50 -12.20 C:38 14.50 -10.77 C:50 18.23 -10.04 C:50 18.23 -8.65 C:111 24.09 -6.02 O 26.90 -9.12 O 26.37 -6.76 29 1 -2 2 21 1 3 21 1 28 4 -1 28 5 -2 30 6 -1 31 7 -2 32 8 -1 25 9 -2 10 11 1 10 21 1 11 14 1 12 17 1 12 24 1 13 18 1 13 23 1 14 26 1 15 19 1 15 25 1 16 20 1 16 27 1 17 29 1 18 32 1 19 30 1 20 31 1 26 22 -2 23 24 2 23 30 1 24 31 1 25 28 1 27 26 -1 27 32 1 28 29 1 29 30 1 31 32 1 10 33 2 3 34 1 3 35 2', 'C31H50O3', 470.338, 'C+P', 'np_03_1104_1', 1065, 'Dan los datos para el compuesto 2, pero es comp 1', '', '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
(2243, 'Antcin B', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][C:7](=O)[C:8]1=[C:9]([C:11](=O)[CH2:12][C@@:13]2([CH3:18])[CH:14]1[CH2:15][CH2:16][CH:17]2[C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[C:26](=O)O)[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@H:4]4[CH3:28]', '[H][C@@]34CC(=O)C1=C(C(=O)C[C@@]2(C)C1CCC2[C@H](C)CCC(=C)C(C)C(=O)O)[C@@]3(C)CCC(=O)[C@H]4C', '[H][C@@:49]34[CH2:39][C:201](=O)[C:145]1=[C:152]([C:203](=O)[CH2:57][C@@:47]2([CH3:12])[CH:49]1[CH2:25][CH2:28][CH:54]2[C@H:35]([CH3:18])[CH2:34][CH2:31][C:148](=[CH2:111])[CH:45]([CH3:16])[C:180](=O)O)[C@@:38]3([CH3:16])[CH2:35][CH2:37][C:211](=O)[C@H:44]4[CH3:11]', '35 38 H 6.13 -9.85 C:24001 15.74 -2.58 C:21 10.64 -2.42 C:27 15.78 -6.28 C:28 4.91 -10.86 C:18 9.85 -3.81 C:19 6.13 -5.94 O 18.06 -3.33 O 9.81 -9.49 O 6.16 -4.53 O 2.51 -9.51 O 18.56 -5.69 C:23 13.92 -4.19 C:2 3.69 -7.34 C:22 12.99 -3.16 C:15 11.16 -7.02 C:16 11.99 -5.91 C:1 4.91 -6.60 C:6 7.39 -9.47 C:12 8.61 -4.50 C:24 15.30 -3.91 C:26 17.61 -4.66 C:7 8.61 -8.77 C:11 7.39 -5.21 C:3 3.69 -8.77 C:8 8.61 -7.34 C:9 7.39 -6.60 C:20 11.59 -3.45 C:25 16.23 -4.96 C:4 4.91 -9.47 C:14 9.85 -6.60 C:17 11.16 -4.79 C:5 6.13 -8.77 C:13 9.85 -5.21 C:10 6.13 -7.34 33 1 -2 2 21 2 28 3 -2 4 29 1 30 5 -2 34 6 -1 35 7 -1 8 22 2 9 23 2 10 24 2 11 25 2 12 22 1 13 15 1 13 21 1 14 18 1 14 25 1 15 28 1 16 17 1 16 31 1 17 32 1 18 35 1 19 23 1 19 33 1 20 24 1 20 34 1 21 29 1 22 29 1 23 26 1 24 27 1 25 30 1 26 27 2 26 31 1 27 35 1 28 32 1 30 33 1 31 34 1 32 34 1 33 35 1', '35 38 H 6.13 -9.85 C 15.74 -2.58 C 10.64 -2.42 C 15.78 -6.28 C 4.91 -10.86 C 9.85 -3.81 C 6.13 -5.94 O 18.06 -3.33 O 9.81 -9.49 O 6.16 -4.53 O 2.51 -9.51 O 18.56 -5.69 C 13.92 -4.19 C 3.69 -7.34 C 12.99 -3.16 C 11.16 -7.02 C 11.99 -5.91 C 4.91 -6.60 C 7.39 -9.47 C 8.61 -4.50 C 15.30 -3.91 C 17.61 -4.66 C 8.61 -8.77 C 7.39 -5.21 C 3.69 -8.77 C 8.61 -7.34 C 7.39 -6.60 C 11.59 -3.45 C 16.23 -4.96 C 4.91 -9.47 C 9.85 -6.60 C 11.16 -4.79 C 6.13 -8.77 C 9.85 -5.21 C 6.13 -7.34 33 1 -2 2 21 2 28 3 -2 4 29 1 30 5 -2 34 6 -1 35 7 -1 8 22 2 9 23 2 10 24 2 11 25 2 12 22 1 13 15 1 13 21 1 14 18 1 14 25 1 15 28 1 16 17 1 16 31 1 17 32 1 18 35 1 19 23 1 19 33 1 20 24 1 20 34 1 21 29 1 22 29 1 23 26 1 24 27 1 25 30 1 26 27 2 26 31 1 27 35 1 28 32 1 30 33 1 31 34 1 32 34 1 33 35 1', '35 38 H 6.13 -9.85 C:111 15.74 -2.58 C:18 10.64 -2.42 C:16 15.78 -6.28 C:11 4.91 -10.86 C:12 9.85 -3.81 C:16 6.13 -5.94 O 18.06 -3.33 O 9.81 -9.49 O 6.16 -4.53 O 2.51 -9.51 O 18.56 -5.69 C:31 13.92 -4.19 C:37 3.69 -7.34 C:34 12.99 -3.16 C:25 11.16 -7.02 C:28 11.99 -5.91 C:35 4.91 -6.60 C:39 7.39 -9.47 C:57 8.61 -4.50 C:148 15.30 -3.91 C:180 17.61 -4.66 C:201 8.61 -8.77 C:203 7.39 -5.21 C:211 3.69 -8.77 C:145 8.61 -7.34 C:152 7.39 -6.60 C:35 11.59 -3.45 C:45 16.23 -4.96 C:44 4.91 -9.47 C:49 9.85 -6.60 C:54 11.16 -4.79 C:49 6.13 -8.77 C:47 9.85 -5.21 C:38 6.13 -7.34 33 1 -2 2 21 2 28 3 -2 4 29 1 30 5 -2 34 6 -1 35 7 -1 8 22 2 9 23 2 10 24 2 11 25 2 12 22 1 13 15 1 13 21 1 14 18 1 14 25 1 15 28 1 16 17 1 16 31 1 17 32 1 18 35 1 19 23 1 19 33 1 20 24 1 20 34 1 21 29 1 22 29 1 23 26 1 24 27 1 25 30 1 26 27 2 26 31 1 27 35 1 28 32 1 30 33 1 31 34 1 32 34 1 33 35 1', 'C29H40O5', 468.315, 'C', 'np95_365_2', 391, '', '', '1', 1, NULL, NULL),
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(2245, '', '(24E)-3 -Hydroxy-17,14-friedolanostan-8,14,24-trien-26-oic acid', 'Terpenoids', 'Triterpenoids', 'Friedolanostanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:30])[C:14]1=[CH:15][CH2:16][C@@:17]2([CH3:18])[C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O)[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]4([CH3:29])[CH3:28]', '[H][C@@]34CCC1=C(CC[C@]2(C)C1=CC[C@@]2(C)[C@H](C)CCC=C(C)C(=O)O)[C@@]3(C)CC[C@@H](O)[C@@]4(C)C', '[H][C@@:44]34[CH2:17][CH2:26][C:122]1=[C:142]([CH2:22][CH2:25][C@:47]2([CH3:16])[C:148]1=[CH:115][CH2:45][C@@:50]2([CH3:15])[C@H:37]([CH3:15])[CH2:27][CH2:31][CH:142]=[C:127]([CH3:12])[C:170](=O)O)[C@@:37]3([CH3:18])[CH2:30][CH2:29][C@@H:75](O)[C@@:37]4([CH3:22])[CH3:28]', '34 37 C:28 5.70 -10.81 C:29 4.21 -10.76 C:19 6.19 -6.03 C:12 8.67 -4.63 C:2 3.78 -7.45 C:11 7.45 -5.34 C:6 7.45 -9.57 C:3 3.78 -8.88 C:1 4.98 -6.72 C:7 8.67 -8.88 C:13 9.89 -5.34 C:9 7.45 -6.72 C:5 6.19 -8.88 C:4 4.98 -9.57 C:14 9.89 -6.72 C:10 6.19 -7.45 C:8 8.67 -7.45 C:15 11.20 -7.13 C:16 12.01 -6.03 C:17 11.20 -4.91 C:20 11.63 -3.59 C:22 13.01 -3.30 C:21 10.71 -2.54 C:23 13.93 -4.32 C:24 15.29 -4.04 C:25 16.22 -5.09 C:27 15.79 -6.39 C:30 9.90 -3.95 C:26 17.56 -4.85 O 18.46 -5.90 O 18.03 -3.55 O 2.61 -9.61 C:18 12.53 -4.48 H 6.19 -10.28 14 1 -2 14 2 -1 16 3 -1 4 6 1 4 11 1 5 8 1 5 9 1 6 12 1 7 10 1 7 13 1 8 14 1 9 16 1 10 17 1 11 15 1 12 16 1 12 17 2 13 14 1 13 16 1 15 17 1 18 19 1 19 20 1 11 20 1 15 18 2 20 21 1 21 22 1 21 23 -2 22 24 1 24 25 1 25 26 2 26 27 1 11 28 -2 26 29 1 29 30 1 29 31 2 8 32 -2 20 33 -1 13 34 -2', '34 37 C 5.70 -10.81 C 4.21 -10.76 C 6.19 -6.03 C 8.67 -4.63 C 3.78 -7.45 C 7.45 -5.34 C 7.45 -9.57 C 3.78 -8.88 C 4.98 -6.72 C 8.67 -8.88 C 9.89 -5.34 C 7.45 -6.72 C 6.19 -8.88 C 4.98 -9.57 C 9.89 -6.72 C 6.19 -7.45 C 8.67 -7.45 C 11.20 -7.13 C 12.01 -6.03 C 11.20 -4.91 C 11.63 -3.59 C 13.01 -3.30 C 10.71 -2.54 C 13.93 -4.32 C 15.29 -4.04 C 16.22 -5.09 C 15.79 -6.39 C 9.90 -3.95 C 17.56 -4.85 O 18.46 -5.90 O 18.03 -3.55 O 2.61 -9.61 C 12.53 -4.48 H 6.19 -10.28 14 1 -2 14 2 -1 16 3 -1 4 6 1 4 11 1 5 8 1 5 9 1 6 12 1 7 10 1 7 13 1 8 14 1 9 16 1 10 17 1 11 15 1 12 16 1 12 17 2 13 14 1 13 16 1 15 17 1 18 19 1 19 20 1 11 20 1 15 18 2 20 21 1 21 22 1 21 23 -2 22 24 1 24 25 1 25 26 2 26 27 1 11 28 -2 26 29 1 29 30 1 29 31 2 8 32 -2 20 33 -1 13 34 -2', '34 37 C:28 5.70 -10.81 C:22 4.21 -10.76 C:18 6.19 -6.03 C:25 8.67 -4.63 C:29 3.78 -7.45 C:22 7.45 -5.34 C:17 7.45 -9.57 C:75 3.78 -8.88 C:30 4.98 -6.72 C:26 8.67 -8.88 C:47 9.89 -5.34 C:142 7.45 -6.72 C:44 6.19 -8.88 C:37 4.98 -9.57 C:148 9.89 -6.72 C:37 6.19 -7.45 C:122 8.67 -7.45 C:115 11.20 -7.13 C:45 12.01 -6.03 C:50 11.20 -4.91 C:37 11.63 -3.59 C:27 13.01 -3.30 C:15 10.71 -2.54 C:31 13.93 -4.32 C:142 15.29 -4.04 C:127 16.22 -5.09 C:12 15.79 -6.39 C:16 9.90 -3.95 C:170 17.56 -4.85 O 18.46 -5.90 O 18.03 -3.55 O 2.61 -9.61 C:15 12.53 -4.48 H 6.19 -10.28 14 1 -2 14 2 -1 16 3 -1 4 6 1 4 11 1 5 8 1 5 9 1 6 12 1 7 10 1 7 13 1 8 14 1 9 16 1 10 17 1 11 15 1 12 16 1 12 17 2 13 14 1 13 16 1 15 17 1 18 19 1 19 20 1 11 20 1 15 18 2 20 21 1 21 22 1 21 23 -2 22 24 1 24 25 1 25 26 2 26 27 1 11 28 -2 26 29 1 29 30 1 29 31 2 8 32 -2 20 33 -1 13 34 -2', 'C30H46O3', 454.327, 'C+D', 'ph_55_183_2', 1942, '', '', '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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