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
(11986, '7-Keto-isovouacapenol C', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@:9]24[CH2:11][c:12]1o[cH:16][cH:15][c:13]1[C@H:14]([CH3:17])[C@:8]2([H])[C:7](=O)[C@@H:6](O[C:6001](=O)[c:6002]3[cH:6007][cH:6006][cH:6005][cH:6004][cH:6003]3)[C@@:5]5(O)[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]45[CH3:20]', '[H][C@]24Cc1occc1[C@H](C)[C@]2([H])C(=O)[C@@H](OC(=O)c3ccccc3)[C@@]5(O)[C@](C)(C)CCC[C@]45C', '[H][C@:39]24[CH2:23][c:148]1o[cH:141][cH:101][c:122]1[C@H:28]([CH3:18])[C@:48]2([H])[C:285](=O)[C@@H:75](O[C:165](=O)[c:129]3[cH:30][cH:129][cH:134][cH:129][cH:30]3)[C@@:78]5(O)[C@:39]([CH3:27])([CH3:19])[CH2:38][CH2:18][CH2:36][C@:40]45[CH3:25]', '34 38 H 16.14 -8.76 H 17.35 -7.49 C:17 19.87 -8.55 C:19 12.77 -11.85 C:18 14.39 -11.85 C:20 14.87 -7.08 O 18.57 -12.14 O 18.57 -10.73 O 14.87 -11.21 C:6005 17.35 -17.04 C:6006 16.14 -16.34 C:6004 18.57 -16.34 C:16 19.10 -4.13 C:6007 16.14 -14.95 C:6003 18.57 -14.95 C:15 19.67 -5.41 C:2 12.36 -8.55 C:3 12.36 -10.02 C:1 13.61 -7.78 C:11 16.14 -6.37 O 16.14 -12.14 O 17.69 -4.28 C:6001 17.35 -12.85 C:7 17.35 -10.02 C:6002 17.35 -14.25 C:12 17.35 -5.65 C:13 18.57 -6.37 C:14 18.57 -7.78 C:6 16.14 -10.73 C:4 13.61 -10.73 C:9 16.14 -7.78 C:8 17.35 -8.55 C:10 14.87 -8.55 C:5 14.87 -10.02 31 1 -2 32 2 -1 28 3 -2 30 4 -1 30 5 -2 33 6 -1 7 23 2 8 24 2 34 9 -2 10 11 1 10 12 2 11 14 2 12 15 1 13 16 2 13 22 1 14 25 1 15 25 2 16 27 1 17 18 1 17 19 1 18 30 1 19 33 1 20 26 1 20 31 1 21 23 1 29 21 -1 22 26 1 23 25 1 24 29 1 24 32 1 26 27 2 27 28 1 28 32 1 29 34 1 30 34 1 31 32 1 31 33 1 33 34 1', '34 38 H 16.14 -8.76 H 17.35 -7.49 C 19.87 -8.55 C 12.77 -11.85 C 14.39 -11.85 C 14.87 -7.08 O 18.57 -12.14 O 18.57 -10.73 O 14.87 -11.21 C 17.35 -17.04 C 16.14 -16.34 C 18.57 -16.34 C 19.10 -4.13 C 16.14 -14.95 C 18.57 -14.95 C 19.67 -5.41 C 12.36 -8.55 C 12.36 -10.02 C 13.61 -7.78 C 16.14 -6.37 O 16.14 -12.14 O 17.69 -4.28 C 17.35 -12.85 C 17.35 -10.02 C 17.35 -14.25 C 17.35 -5.65 C 18.57 -6.37 C 18.57 -7.78 C 16.14 -10.73 C 13.61 -10.73 C 16.14 -7.78 C 17.35 -8.55 C 14.87 -8.55 C 14.87 -10.02 31 1 -2 32 2 -1 28 3 -2 30 4 -1 30 5 -2 33 6 -1 7 23 2 8 24 2 34 9 -2 10 11 1 10 12 2 11 14 2 12 15 1 13 16 2 13 22 1 14 25 1 15 25 2 16 27 1 17 18 1 17 19 1 18 30 1 19 33 1 20 26 1 20 31 1 21 23 1 29 21 -1 22 26 1 23 25 1 24 29 1 24 32 1 26 27 2 27 28 1 28 32 1 29 34 1 30 34 1 31 32 1 31 33 1 33 34 1', '34 38 H 16.14 -8.76 H 17.35 -7.49 C:18 19.87 -8.55 C:27 12.77 -11.85 C:19 14.39 -11.85 C:25 14.87 -7.08 O 18.57 -12.14 O 18.57 -10.73 O 14.87 -11.21 C:134 17.35 -17.04 C:129 16.14 -16.34 C:129 18.57 -16.34 C:141 19.10 -4.13 C:30 16.14 -14.95 C:30 18.57 -14.95 C:101 19.67 -5.41 C:18 12.36 -8.55 C:38 12.36 -10.02 C:36 13.61 -7.78 C:23 16.14 -6.37 O 16.14 -12.14 O 17.69 -4.28 C:165 17.35 -12.85 C:285 17.35 -10.02 C:129 17.35 -14.25 C:148 17.35 -5.65 C:122 18.57 -6.37 C:28 18.57 -7.78 C:75 16.14 -10.73 C:39 13.61 -10.73 C:39 16.14 -7.78 C:48 17.35 -8.55 C:40 14.87 -8.55 C:78 14.87 -10.02 31 1 -2 32 2 -1 28 3 -2 30 4 -1 30 5 -2 33 6 -1 7 23 2 8 24 2 34 9 -2 10 11 1 10 12 2 11 14 2 12 15 1 13 16 2 13 22 1 14 25 1 15 25 2 16 27 1 17 18 1 17 19 1 18 30 1 19 33 1 20 26 1 20 31 1 21 23 1 29 21 -1 22 26 1 23 25 1 24 29 1 24 32 1 26 27 2 27 28 1 28 32 1 29 34 1 30 34 1 31 32 1 31 33 1 33 34 1', 'C27H32O5', 436.302, 'C', 'np03_1378_10', 3091, '', '', '1', 1, NULL, NULL),
(11987, '11-O-Methylswartziarboreol C', '', 'Terpenoids', 'Diterpenoids', 'Cassanes', '[H][C@@:5]34[CH2:6][CH2:7][c:8]1[c:9]([c:11](O[CH3:11001])[c:12](O[CH3:12001])[c:13]2[cH:15][cH:16]o[c:17](=O)[c:14]12)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34CCc1c(c(OC)c(OC)c2ccoc(=O)c12)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:52]34[CH2:19][CH2:34][c:141]1[c:145]([c:158](O[CH3:61])[c:141](O[CH3:61])[c:132]2[cH:101][cH:145]o[c:161](=O)[c:116]12)[C@@:41]3([CH3:21])[CH2:38][CH2:20][CH2:41][C@@:34]4([CH3:22])[CH3:34]', '27 30 H 14.28 -13.76 C:11001 14.36 -7.16 C:12001 17.97 -6.55 C:19 12.02 -14.50 C:18 14.00 -14.61 C:20 14.28 -9.97 O 19.21 -12.77 C:16 20.43 -9.26 C:15 19.21 -8.55 C:2 11.80 -11.44 C:7 16.76 -12.84 C:3 11.80 -12.84 C:1 13.03 -10.69 C:6 15.53 -13.57 O 14.36 -8.55 O 16.76 -7.16 O 20.43 -10.62 C:11 15.53 -9.26 C:8 16.76 -11.44 C:12 16.76 -8.55 C:9 15.53 -10.69 C:17 19.21 -11.44 C:13 17.97 -9.26 C:14 17.97 -10.69 C:4 13.03 -13.57 C:10 14.28 -11.44 C:5 14.28 -12.84 27 1 -2 2 15 1 3 16 1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 9 2 8 17 1 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 25 1 13 26 1 14 27 1 15 18 1 16 20 1 17 22 1 18 20 2 18 21 1 19 21 2 19 24 1 20 23 1 21 26 1 22 24 1 23 24 2 25 27 1 26 27 1', '27 30 H 14.28 -13.76 C 14.36 -7.16 C 17.97 -6.55 C 12.02 -14.50 C 14.00 -14.61 C 14.28 -9.97 O 19.21 -12.77 C 20.43 -9.26 C 19.21 -8.55 C 11.80 -11.44 C 16.76 -12.84 C 11.80 -12.84 C 13.03 -10.69 C 15.53 -13.57 O 14.36 -8.55 O 16.76 -7.16 O 20.43 -10.62 C 15.53 -9.26 C 16.76 -11.44 C 16.76 -8.55 C 15.53 -10.69 C 19.21 -11.44 C 17.97 -9.26 C 17.97 -10.69 C 13.03 -13.57 C 14.28 -11.44 C 14.28 -12.84 27 1 -2 2 15 1 3 16 1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 9 2 8 17 1 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 25 1 13 26 1 14 27 1 15 18 1 16 20 1 17 22 1 18 20 2 18 21 1 19 21 2 19 24 1 20 23 1 21 26 1 22 24 1 23 24 2 25 27 1 26 27 1', '27 30 H 14.28 -13.76 C:61 14.36 -7.16 C:61 17.97 -6.55 C:22 12.02 -14.50 C:34 14.00 -14.61 C:21 14.28 -9.97 O 19.21 -12.77 C:145 20.43 -9.26 C:101 19.21 -8.55 C:20 11.80 -11.44 C:34 16.76 -12.84 C:41 11.80 -12.84 C:38 13.03 -10.69 C:19 15.53 -13.57 O 14.36 -8.55 O 16.76 -7.16 O 20.43 -10.62 C:158 15.53 -9.26 C:141 16.76 -11.44 C:141 16.76 -8.55 C:145 15.53 -10.69 C:161 19.21 -11.44 C:132 17.97 -9.26 C:116 17.97 -10.69 C:34 13.03 -13.57 C:41 14.28 -11.44 C:52 14.28 -12.84 27 1 -2 2 15 1 3 16 1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 9 2 8 17 1 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 25 1 13 26 1 14 27 1 15 18 1 16 20 1 17 22 1 18 20 2 18 21 1 19 21 2 19 24 1 20 23 1 21 26 1 22 24 1 23 24 2 25 27 1 26 27 1', 'C22H28O4', 356.241, 'C', 'np05_1290_1', 3092, '', '', '1', 1, NULL, NULL),
(11988, '15,16-Dihydroswartziarboreol C', '', 'Terpenoids', 'Diterpenoids', 'Cassanes', '[H][C@@:5]34[CH2:6][CH2:7][c:8]2[c:14]1[C:17](=O)O[CH2:16][CH2:15][c:13]1[c:12](O[CH3:12001])[c:11](O)[c:9]2[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34CCc2c1C(=O)OCCc1c(OC)c(O)c2[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:52]34[CH2:18][CH2:32][c:141]2[c:116]1[C:165](=O)O[CH2:66][CH2:23][c:131]1[c:141](O[CH3:62])[c:152](O)[c:136]2[C@@:41]3([CH3:22])[CH2:32][CH2:19][CH2:41][C@:33]4([CH3:33])[CH3:19]', '26 29 H 14.28 -13.76 C:12001 17.97 -6.55 C:18 14.00 -14.61 C:19 12.02 -14.50 C:20 14.28 -9.97 O 19.21 -12.77 O 14.36 -8.55 C:2 11.80 -11.44 C:16 20.43 -9.26 C:15 19.21 -8.55 C:7 16.76 -12.84 C:3 11.80 -12.84 C:1 13.03 -10.69 C:6 15.53 -13.57 O 16.76 -7.16 O 20.43 -10.62 C:17 19.21 -11.44 C:11 15.53 -9.26 C:13 17.97 -9.26 C:8 16.76 -11.44 C:12 16.76 -8.55 C:14 17.97 -10.69 C:9 15.53 -10.69 C:4 13.03 -13.57 C:5 14.28 -12.84 C:10 14.28 -11.44 25 1 -2 2 15 1 24 3 -2 24 4 -1 26 5 -1 6 17 2 7 18 1 8 12 1 8 13 1 9 10 1 9 16 1 10 19 1 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 21 1 16 17 1 17 22 1 18 21 2 18 23 1 19 21 1 19 22 2 20 22 1 20 23 2 23 26 1 24 25 1 25 26 1', '26 29 H 14.28 -13.76 C 17.97 -6.55 C 14.00 -14.61 C 12.02 -14.50 C 14.28 -9.97 O 19.21 -12.77 O 14.36 -8.55 C 11.80 -11.44 C 20.43 -9.26 C 19.21 -8.55 C 16.76 -12.84 C 11.80 -12.84 C 13.03 -10.69 C 15.53 -13.57 O 16.76 -7.16 O 20.43 -10.62 C 19.21 -11.44 C 15.53 -9.26 C 17.97 -9.26 C 16.76 -11.44 C 16.76 -8.55 C 17.97 -10.69 C 15.53 -10.69 C 13.03 -13.57 C 14.28 -12.84 C 14.28 -11.44 25 1 -2 2 15 1 24 3 -2 24 4 -1 26 5 -1 6 17 2 7 18 1 8 12 1 8 13 1 9 10 1 9 16 1 10 19 1 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 21 1 16 17 1 17 22 1 18 21 2 18 23 1 19 21 1 19 22 2 20 22 1 20 23 2 23 26 1 24 25 1 25 26 1', '26 29 H 14.28 -13.76 C:62 17.97 -6.55 C:33 14.00 -14.61 C:19 12.02 -14.50 C:22 14.28 -9.97 O 19.21 -12.77 O 14.36 -8.55 C:19 11.80 -11.44 C:66 20.43 -9.26 C:23 19.21 -8.55 C:32 16.76 -12.84 C:41 11.80 -12.84 C:32 13.03 -10.69 C:18 15.53 -13.57 O 16.76 -7.16 O 20.43 -10.62 C:165 19.21 -11.44 C:152 15.53 -9.26 C:131 17.97 -9.26 C:141 16.76 -11.44 C:141 16.76 -8.55 C:116 17.97 -10.69 C:136 15.53 -10.69 C:33 13.03 -13.57 C:52 14.28 -12.84 C:41 14.28 -11.44 25 1 -2 2 15 1 24 3 -2 24 4 -1 26 5 -1 6 17 2 7 18 1 8 12 1 8 13 1 9 10 1 9 16 1 10 19 1 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 21 1 16 17 1 17 22 1 18 21 2 18 23 1 19 21 1 19 22 2 20 22 1 20 23 2 23 26 1 24 25 1 25 26 1', 'C21H28O4', 344.23, 'C', 'np05_1290_2', 3092, '', '', '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
(12002, 'Isovouacapenol C', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@:9]24[CH2:11][c:12]1o[cH:16][cH:15][c:13]1[C@H:14]([CH3:17])[C@:8]2([H])[C@@H:7](O)[C@@H:6](O[C:6001](=O)[c:6002]3[cH:6003][cH:6004][cH:6005][cH:6006][cH:6007]3)[C@@:5]5(O)[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]45[CH3:20]', '[H][C@]24Cc1occc1[C@H](C)[C@]2([H])[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@@]5(O)[C@](C)(C)CCC[C@]45C', '[H][C@:37]24[CH2:22][c:149]1o[cH:141][cH:110][c:122]1[C@H:27]([CH3:17])[C@:38]2([H])[C@@H:69](O)[C@@H:74](O[C:167](=O)[c:130]3[cH:130][cH:129][cH:133][cH:129][cH:130]3)[C@@:78]5(O)[C@:39]([CH3:27])([CH3:26])[CH2:38][CH2:18][CH2:35][C@:41]45[CH3:18]', '34 38 H 16.15 -8.77 H 17.36 -7.48 C:17 19.87 -8.44 C:19 12.79 -11.89 C:18 14.41 -11.89 C:20 14.88 -7.06 O 18.56 -12.14 O 18.56 -10.73 O 14.88 -11.21 C:6005 17.36 -17.03 C:6004 16.15 -16.33 C:6006 18.56 -16.33 C:16 19.08 -4.11 C:6003 16.15 -14.92 C:6007 18.56 -14.92 C:15 19.65 -5.39 C:2 12.37 -8.55 C:3 12.37 -10.00 C:1 13.62 -7.78 C:11 16.15 -6.33 O 16.15 -12.14 O 17.70 -4.26 C:6001 17.36 -12.84 C:6002 17.36 -14.22 C:12 17.36 -5.63 C:13 18.63 -6.33 C:14 18.63 -7.78 C:7 17.36 -10.00 C:6 16.15 -10.73 C:4 13.62 -10.73 C:9 16.15 -7.78 C:10 14.88 -8.55 C:8 17.36 -8.55 C:5 14.88 -10.00 31 1 -2 33 2 -1 27 3 -2 30 4 -1 30 5 -2 32 6 -1 7 23 2 28 8 -1 34 9 -2 10 11 2 10 12 1 11 14 1 12 15 2 13 16 2 13 22 1 14 24 2 15 24 1 16 26 1 17 18 1 17 19 1 18 30 1 19 32 1 20 25 1 20 31 1 21 23 1 29 21 -1 22 25 1 23 24 1 25 26 2 26 27 1 27 33 1 28 29 1 28 33 1 29 34 1 30 34 1 31 32 1 31 33 1 32 34 1', '34 38 H 16.15 -8.77 H 17.36 -7.48 C 19.87 -8.44 C 12.79 -11.89 C 14.41 -11.89 C 14.88 -7.06 O 18.56 -12.14 O 18.56 -10.73 O 14.88 -11.21 C 17.36 -17.03 C 16.15 -16.33 C 18.56 -16.33 C 19.08 -4.11 C 16.15 -14.92 C 18.56 -14.92 C 19.65 -5.39 C 12.37 -8.55 C 12.37 -10.00 C 13.62 -7.78 C 16.15 -6.33 O 16.15 -12.14 O 17.70 -4.26 C 17.36 -12.84 C 17.36 -14.22 C 17.36 -5.63 C 18.63 -6.33 C 18.63 -7.78 C 17.36 -10.00 C 16.15 -10.73 C 13.62 -10.73 C 16.15 -7.78 C 14.88 -8.55 C 17.36 -8.55 C 14.88 -10.00 31 1 -2 33 2 -1 27 3 -2 30 4 -1 30 5 -2 32 6 -1 7 23 2 28 8 -1 34 9 -2 10 11 2 10 12 1 11 14 1 12 15 2 13 16 2 13 22 1 14 24 2 15 24 1 16 26 1 17 18 1 17 19 1 18 30 1 19 32 1 20 25 1 20 31 1 21 23 1 29 21 -1 22 25 1 23 24 1 25 26 2 26 27 1 27 33 1 28 29 1 28 33 1 29 34 1 30 34 1 31 32 1 31 33 1 32 34 1', '34 38 H 16.15 -8.77 H 17.36 -7.48 C:17 19.87 -8.44 C:27 12.79 -11.89 C:26 14.41 -11.89 C:18 14.88 -7.06 O 18.56 -12.14 O 18.56 -10.73 O 14.88 -11.21 C:133 17.36 -17.03 C:129 16.15 -16.33 C:129 18.56 -16.33 C:141 19.08 -4.11 C:130 16.15 -14.92 C:130 18.56 -14.92 C:110 19.65 -5.39 C:18 12.37 -8.55 C:38 12.37 -10.00 C:35 13.62 -7.78 C:22 16.15 -6.33 O 16.15 -12.14 O 17.70 -4.26 C:167 17.36 -12.84 C:130 17.36 -14.22 C:149 17.36 -5.63 C:122 18.63 -6.33 C:27 18.63 -7.78 C:69 17.36 -10.00 C:74 16.15 -10.73 C:39 13.62 -10.73 C:37 16.15 -7.78 C:41 14.88 -8.55 C:38 17.36 -8.55 C:78 14.88 -10.00 31 1 -2 33 2 -1 27 3 -2 30 4 -1 30 5 -2 32 6 -1 7 23 2 28 8 -1 34 9 -2 10 11 2 10 12 1 11 14 1 12 15 2 13 16 2 13 22 1 14 24 2 15 24 1 16 26 1 17 18 1 17 19 1 18 30 1 19 32 1 20 25 1 20 31 1 21 23 1 29 21 -1 22 25 1 23 24 1 25 26 2 26 27 1 27 33 1 28 29 1 28 33 1 29 34 1 30 34 1 31 32 1 31 33 1 32 34 1', 'C27H34O5', 438.302, 'C', 'np02_1107_3', 3098, '', '', '1', 1, NULL, NULL),
(12003, 'Isovouacapenol D', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[CH3:17][c:14]4[c:8]3[CH2:7][C@@H:6](O[C:6001](=O)[c:6002]1[cH:6007][cH:6006][cH:6005][cH:6004][cH:6003]1)[C@@:5]2(O)[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]2([CH3:20])[c:9]3[cH:11][c:12]5o[cH:16][cH:15][c:13]45', 'Cc4c3C[C@@H](OC(=O)c1ccccc1)[C@@]2(O)[C@@](C)(C)CCC[C@]2(C)c3cc5occc45', '[CH3:16][c:129]4[c:124]3[CH2:32][C@@H:71](O[C:166](=O)[c:130]1[cH:130][cH:129][cH:133][cH:129][cH:130]1)[C@@:76]2(O)[C@@:39]([CH3:26])([CH3:28])[CH2:38][CH2:19][CH2:36][C@:44]2([CH3:29])[c:143]3[cH:105][c:154]5o[cH:145][cH:106][c:126]45', '31 35 C:17 19.81 -8.49 C:18 14.42 -11.89 C:19 12.83 -11.89 C:20 14.89 -7.13 O 18.51 -12.13 O 14.89 -11.21 C:6005 17.33 -16.95 C:6006 18.51 -16.26 C:6004 16.14 -16.26 C:16 19.03 -4.22 C:6007 18.51 -14.87 C:6003 16.14 -14.87 C:15 19.59 -5.48 C:11 16.14 -6.41 C:2 12.41 -8.59 C:3 12.41 -10.02 C:1 13.65 -7.83 C:7 17.33 -10.02 O 16.14 -12.13 O 17.67 -4.37 C:6001 17.33 -12.82 C:6002 17.33 -14.18 C:14 18.58 -7.83 C:8 17.33 -8.59 C:9 16.14 -7.83 C:12 17.33 -5.72 C:13 18.58 -6.41 C:6 16.14 -10.74 C:4 13.65 -10.74 C:10 14.89 -8.59 C:5 14.89 -10.02 1 23 1 29 2 -2 29 3 -1 30 4 -1 5 21 2 31 6 -2 7 8 1 7 9 2 8 11 2 9 12 1 10 13 2 10 20 1 11 22 1 12 22 2 13 27 1 14 25 2 14 26 1 15 16 1 15 17 1 16 29 1 17 30 1 18 24 1 18 28 1 19 21 1 28 19 -1 20 26 1 21 22 1 23 24 2 23 27 1 24 25 1 25 30 1 26 27 2 28 31 1 29 31 1 30 31 1', '31 35 C 19.81 -8.49 C 14.42 -11.89 C 12.83 -11.89 C 14.89 -7.13 O 18.51 -12.13 O 14.89 -11.21 C 17.33 -16.95 C 18.51 -16.26 C 16.14 -16.26 C 19.03 -4.22 C 18.51 -14.87 C 16.14 -14.87 C 19.59 -5.48 C 16.14 -6.41 C 12.41 -8.59 C 12.41 -10.02 C 13.65 -7.83 C 17.33 -10.02 O 16.14 -12.13 O 17.67 -4.37 C 17.33 -12.82 C 17.33 -14.18 C 18.58 -7.83 C 17.33 -8.59 C 16.14 -7.83 C 17.33 -5.72 C 18.58 -6.41 C 16.14 -10.74 C 13.65 -10.74 C 14.89 -8.59 C 14.89 -10.02 1 23 1 29 2 -2 29 3 -1 30 4 -1 5 21 2 31 6 -2 7 8 1 7 9 2 8 11 2 9 12 1 10 13 2 10 20 1 11 22 1 12 22 2 13 27 1 14 25 2 14 26 1 15 16 1 15 17 1 16 29 1 17 30 1 18 24 1 18 28 1 19 21 1 28 19 -1 20 26 1 21 22 1 23 24 2 23 27 1 24 25 1 25 30 1 26 27 2 28 31 1 29 31 1 30 31 1', '31 35 C:16 19.81 -8.49 C:26 14.42 -11.89 C:28 12.83 -11.89 C:29 14.89 -7.13 O 18.51 -12.13 O 14.89 -11.21 C:133 17.33 -16.95 C:129 18.51 -16.26 C:129 16.14 -16.26 C:145 19.03 -4.22 C:130 18.51 -14.87 C:130 16.14 -14.87 C:106 19.59 -5.48 C:105 16.14 -6.41 C:19 12.41 -8.59 C:38 12.41 -10.02 C:36 13.65 -7.83 C:32 17.33 -10.02 O 16.14 -12.13 O 17.67 -4.37 C:166 17.33 -12.82 C:130 17.33 -14.18 C:129 18.58 -7.83 C:124 17.33 -8.59 C:143 16.14 -7.83 C:154 17.33 -5.72 C:126 18.58 -6.41 C:71 16.14 -10.74 C:39 13.65 -10.74 C:44 14.89 -8.59 C:76 14.89 -10.02 1 23 1 29 2 -2 29 3 -1 30 4 -1 5 21 2 31 6 -2 7 8 1 7 9 2 8 11 2 9 12 1 10 13 2 10 20 1 11 22 1 12 22 2 13 27 1 14 25 2 14 26 1 15 16 1 15 17 1 16 29 1 17 30 1 18 24 1 18 28 1 19 21 1 28 19 -1 20 26 1 21 22 1 23 24 2 23 27 1 24 25 1 25 30 1 26 27 2 28 31 1 29 31 1 30 31 1', 'C27H30O4', 418.286, 'C', 'np02_1107_4', 3098, '', '', '1', 1, NULL, NULL),
(12004, 'Altotibetin B', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001](=O)[c:5002]1[cH:5003][cH:5004][cH:5005][cH:5006][cH:5007]1)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH2:7002][CH2:7003][CH3:7004])[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(=O)c1ccccc1)C(=C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:68](O[C:164](=O)[c:130]1[cH:130][cH:128][cH:133][cH:128][cH:130]1)[C:143](=[CH2:115])[C@H:69](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@@H:70](O[C:170]([CH3:21])=O)[C@@H:80](O[C:170]([CH3:21])=O)[C@@:40]([CH3:23])([CH3:26])[CH:136]=[CH:131][C@H:45]([CH3:20])[C:204](=O)[C@@:93]2(O[C:170]([CH3:21])=O)[CH2:43][C@H:38]([CH3:14])[C@@H:76]3O[C:170]([CH3:21])=O', '53 55 H 13.04 -9.80 C:17 16.38 -8.59 C:7004 16.61 -17.04 C:8002 20.70 -13.72 C:3002 9.82 -12.34 C:9002 22.82 -11.05 C:15002 11.44 -4.16 C:20 16.38 -5.12 C:16 9.82 -8.19 C:19 20.21 -7.32 C:18 20.57 -8.96 O 21.07 -11.34 O 9.43 -9.86 O 22.20 -8.81 O 10.62 -6.30 O 18.47 -13.37 O 11.54 -11.72 O 13.86 -5.12 C:12 16.89 -7.45 C:11 18.28 -7.45 C:5005 12.75 -16.23 C:5004 11.54 -15.53 C:5006 13.96 -15.53 C:5003 11.54 -14.12 C:5007 13.96 -14.12 C:7003 17.23 -15.79 C:7002 16.45 -14.62 C:1 12.05 -7.00 O 16.29 -12.22 O 18.82 -12.22 O 11.62 -10.69 O 20.45 -10.69 O 13.86 -11.20 O 12.90 -6.09 C:8001 20.21 -12.44 C:3001 10.25 -10.98 C:9001 21.75 -10.18 C:15001 11.62 -5.55 C:7001 17.07 -13.37 C:6 15.82 -9.86 C:5001 12.75 -12.03 C:14 14.40 -6.40 C:5002 12.75 -13.42 C:13 15.82 -6.40 C:2 11.22 -8.19 C:7 16.89 -10.89 C:5 14.40 -9.86 C:8 18.28 -10.89 C:3 12.05 -9.32 C:9 19.29 -9.86 C:10 19.29 -8.47 C:4 13.41 -8.88 C:15 13.41 -7.45 52 1 -2 2 40 2 3 26 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -1 45 9 -1 51 10 -1 51 11 -2 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 41 2 18 42 2 19 20 2 19 44 1 20 51 1 21 22 2 21 23 1 22 24 1 23 25 2 24 43 2 25 43 1 26 27 1 27 39 1 28 45 1 28 53 1 29 39 1 46 29 -1 30 35 1 48 30 -2 31 36 1 49 31 -1 32 37 1 50 32 -2 33 41 1 47 33 -2 34 38 1 53 34 -1 40 46 1 40 47 1 41 43 1 42 44 1 42 53 1 45 49 1 46 48 1 47 52 1 48 50 1 49 52 1 50 51 1 52 53 1', '53 55 H 13.04 -9.80 C 16.38 -8.59 C 16.61 -17.04 C 20.70 -13.72 C 9.82 -12.34 C 22.82 -11.05 C 11.44 -4.16 C 16.38 -5.12 C 9.82 -8.19 C 20.21 -7.32 C 20.57 -8.96 O 21.07 -11.34 O 9.43 -9.86 O 22.20 -8.81 O 10.62 -6.30 O 18.47 -13.37 O 11.54 -11.72 O 13.86 -5.12 C 16.89 -7.45 C 18.28 -7.45 C 12.75 -16.23 C 11.54 -15.53 C 13.96 -15.53 C 11.54 -14.12 C 13.96 -14.12 C 17.23 -15.79 C 16.45 -14.62 C 12.05 -7.00 O 16.29 -12.22 O 18.82 -12.22 O 11.62 -10.69 O 20.45 -10.69 O 13.86 -11.20 O 12.90 -6.09 C 20.21 -12.44 C 10.25 -10.98 C 21.75 -10.18 C 11.62 -5.55 C 17.07 -13.37 C 15.82 -9.86 C 12.75 -12.03 C 14.40 -6.40 C 12.75 -13.42 C 15.82 -6.40 C 11.22 -8.19 C 16.89 -10.89 C 14.40 -9.86 C 18.28 -10.89 C 12.05 -9.32 C 19.29 -9.86 C 19.29 -8.47 C 13.41 -8.88 C 13.41 -7.45 52 1 -2 2 40 2 3 26 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -1 45 9 -1 51 10 -1 51 11 -2 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 41 2 18 42 2 19 20 2 19 44 1 20 51 1 21 22 2 21 23 1 22 24 1 23 25 2 24 43 2 25 43 1 26 27 1 27 39 1 28 45 1 28 53 1 29 39 1 46 29 -1 30 35 1 48 30 -2 31 36 1 49 31 -1 32 37 1 50 32 -2 33 41 1 47 33 -2 34 38 1 53 34 -1 40 46 1 40 47 1 41 43 1 42 44 1 42 53 1 45 49 1 46 48 1 47 52 1 48 50 1 49 52 1 50 51 1 52 53 1', '53 55 H 13.04 -9.80 C:115 16.38 -8.59 C:14 16.61 -17.04 C:21 20.70 -13.72 C:21 9.82 -12.34 C:21 22.82 -11.05 C:21 11.44 -4.16 C:20 16.38 -5.12 C:14 9.82 -8.19 C:23 20.21 -7.32 C:26 20.57 -8.96 O 21.07 -11.34 O 9.43 -9.86 O 22.20 -8.81 O 10.62 -6.30 O 18.47 -13.37 O 11.54 -11.72 O 13.86 -5.12 C:131 16.89 -7.45 C:136 18.28 -7.45 C:133 12.75 -16.23 C:128 11.54 -15.53 C:128 13.96 -15.53 C:130 11.54 -14.12 C:130 13.96 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C:15001 12.45 -6.12 C:22 15.54 -8.57 C:7001 18.13 -14.08 C:6001 14.85 -12.26 C:14 15.31 -7.00 C:7002 17.57 -15.32 C:6002 14.58 -13.63 C:13 16.80 -7.00 C:3 12.91 -9.96 C:8 19.36 -11.65 C:9 20.38 -10.61 C:7 17.90 -11.65 C:5 15.64 -10.61 C:10 20.38 -9.11 C:2 12.03 -8.80 C:4 14.30 -9.57 C:6 16.89 -10.61 C:15 14.30 -8.09 53 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 6 43 1 7 43 1 8 44 1 9 44 1 45 10 -1 51 11 -2 51 12 -1 52 13 -1 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 21 42 2 46 22 -1 23 24 2 23 45 1 24 51 1 25 26 1 25 39 1 54 26 -2 27 52 1 27 55 1 28 35 1 47 28 -2 29 36 1 48 29 -2 30 39 1 50 30 -2 31 40 1 49 31 -1 32 37 1 52 32 -2 33 38 1 55 33 -1 34 41 1 54 34 -1 40 43 1 41 44 1 42 45 1 42 55 1 46 52 1 46 53 1 47 48 1 47 49 1 48 51 1 49 54 1 50 53 1 50 54 1 53 55 1', '55 57 H 13.91 -10.52 C 21.84 -14.55 C 24.05 -11.81 C 8.25 -7.78 C 12.27 -4.67 C 16.18 -15.47 C 18.41 -16.44 C 15.64 -14.55 C 13.26 -14.08 C 17.40 -5.66 C 21.73 -9.65 C 21.36 -7.93 C 10.75 -9.57 O 22.26 -12.26 O 23.41 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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
(12012, 'Terracinolide I', '(1R*,2S*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-Hexaacetoxy-5,21-epoxy-15-hydroxy-7-isobutyroyloxy-14,21-dioxo-17-ethyljatropha-llE-ene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:1](O[C:1001]([CH3:1002])=O)[C@:15]1(O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@@:10]([CH3:18])([CH3:19])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@]1(O)C(=O)[C@@H](C)C=C[C@@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', '[H][C@:44]12[C@@H:78](O[C:170]([CH3:21])=O)[C@:89]([CH3:15])(O[C:170]([CH3:21])=O)[C@@H:80](O[C:170]([CH3:22])=O)[C@:85]1(O)[C:211](=O)[C@@H:44]([CH3:21])[CH:129]=[CH:136][C@@:40]([CH3:26])([CH3:23])[C@H:81](O[C:169]([CH3:20])=O)[C@H:67](O[C:169]([CH3:21])=O)[C@@H:67](O[C:174](=O)[CH:34]([CH3:18])[CH3:19])[C@:81]3(O[C:170]([CH3:21])=O)[CH2:25][CH2:29][C:172](=O)O[C@@H:72]23', '57 59 H 13.90 -10.58 C:8002 21.84 -14.61 C:9002 24.05 -11.87 C:3002 10.67 -13.14 C:1002 10.75 -4.66 C:2002 8.25 -7.83 C:6002 14.57 -13.69 C:7201 16.18 -15.54 C:7003 18.41 -16.51 C:20 17.40 -5.72 C:18 21.73 -9.70 C:19 21.35 -7.98 C:16 10.75 -9.62 O 22.26 -12.32 O 23.41 -9.62 O 10.12 -10.79 O 10.17 -7.01 O 9.51 -10.02 O 13.96 -11.62 O 15.31 -7.89 O 19.51 -13.95 O 14.75 -5.72 O 13.77 -6.74 C:12 17.90 -8.14 C:11 19.35 -8.14 C:21 16.98 -8.62 C:17 17.40 -9.62 O 19.89 -13.05 O 21.60 -11.50 O 12.45 -11.50 O 12.51 -6.31 O 15.23 -9.62 O 17.31 -12.96 O 10.75 -7.83 O 16.18 -11.87 C:8001 21.35 -13.30 C:9001 22.97 -10.97 C:3001 11.08 -11.81 C:1001 11.14 -5.99 C:2001 9.51 -8.55 C:6001 14.84 -12.32 C:22 15.54 -8.62 C:7001 18.13 -14.14 C:14 15.31 -7.01 C:7002 17.57 -15.39 C:13 16.80 -7.01 C:8 19.35 -11.71 C:9 20.37 -10.67 C:7 17.90 -11.71 C:3 12.91 -10.02 C:1 12.91 -7.65 C:5 15.64 -10.67 C:10 20.37 -9.16 C:2 12.03 -8.85 C:4 14.29 -9.62 C:15 14.29 -8.14 C:6 16.89 -10.67 55 1 -2 2 36 1 3 37 1 4 38 1 5 39 1 6 40 1 7 41 1 8 45 1 9 45 1 46 10 -1 53 11 -2 53 12 -1 54 13 -1 14 36 2 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 56 23 -1 24 25 2 24 46 1 25 53 1 26 27 1 26 42 1 57 27 -2 28 36 1 47 28 -2 29 37 1 48 29 -2 30 38 1 50 30 -1 31 39 1 51 31 -1 32 42 1 52 32 -2 33 43 1 49 33 -1 34 40 1 54 34 -2 35 41 1 57 35 -1 43 45 1 44 46 1 44 56 1 47 48 1 47 49 1 48 53 1 49 57 1 50 54 1 50 55 1 51 54 1 51 56 1 52 55 1 52 57 1 55 56 1', '57 59 H 13.90 -10.58 C 21.84 -14.61 C 24.05 -11.87 C 10.67 -13.14 C 10.75 -4.66 C 8.25 -7.83 C 14.57 -13.69 C 16.18 -15.54 C 18.41 -16.51 C 17.40 -5.72 C 21.73 -9.70 C 21.35 -7.98 C 10.75 -9.62 O 22.26 -12.32 O 23.41 -9.62 O 10.12 -10.79 O 10.17 -7.01 O 9.51 -10.02 O 13.96 -11.62 O 15.31 -7.89 O 19.51 -13.95 O 14.75 -5.72 O 13.77 -6.74 C 17.90 -8.14 C 19.35 -8.14 C 16.98 -8.62 C 17.40 -9.62 O 19.89 -13.05 O 21.60 -11.50 O 12.45 -11.50 O 12.51 -6.31 O 15.23 -9.62 O 17.31 -12.96 O 10.75 -7.83 O 16.18 -11.87 C 21.35 -13.30 C 22.97 -10.97 C 11.08 -11.81 C 11.14 -5.99 C 9.51 -8.55 C 14.84 -12.32 C 15.54 -8.62 C 18.13 -14.14 C 15.31 -7.01 C 17.57 -15.39 C 16.80 -7.01 C 19.35 -11.71 C 20.37 -10.67 C 17.90 -11.71 C 12.91 -10.02 C 12.91 -7.65 C 15.64 -10.67 C 20.37 -9.16 C 12.03 -8.85 C 14.29 -9.62 C 14.29 -8.14 C 16.89 -10.67 55 1 -2 2 36 1 3 37 1 4 38 1 5 39 1 6 40 1 7 41 1 8 45 1 9 45 1 46 10 -1 53 11 -2 53 12 -1 54 13 -1 14 36 2 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 56 23 -1 24 25 2 24 46 1 25 53 1 26 27 1 26 42 1 57 27 -2 28 36 1 47 28 -2 29 37 1 48 29 -2 30 38 1 50 30 -1 31 39 1 51 31 -1 32 42 1 52 32 -2 33 43 1 49 33 -1 34 40 1 54 34 -2 35 41 1 57 35 -1 43 45 1 44 46 1 44 56 1 47 48 1 47 49 1 48 53 1 49 57 1 50 54 1 50 55 1 51 54 1 51 56 1 52 55 1 52 57 1 55 56 1', '57 59 H 13.90 -10.58 C:21 21.84 -14.61 C:20 24.05 -11.87 C:21 10.67 -13.14 C:22 10.75 -4.66 C:21 8.25 -7.83 C:21 14.57 -13.69 C:18 16.18 -15.54 C:19 18.41 -16.51 C:21 17.40 -5.72 C:26 21.73 -9.70 C:23 21.35 -7.98 C:15 10.75 -9.62 O 22.26 -12.32 O 23.41 -9.62 O 10.12 -10.79 O 10.17 -7.01 O 9.51 -10.02 O 13.96 -11.62 O 15.31 -7.89 O 19.51 -13.95 O 14.75 -5.72 O 13.77 -6.74 C:129 17.90 -8.14 C:136 19.35 -8.14 C:29 16.98 -8.62 C:25 17.40 -9.62 O 19.89 -13.05 O 21.60 -11.50 O 12.45 -11.50 O 12.51 -6.31 O 15.23 -9.62 O 17.31 -12.96 O 10.75 -7.83 O 16.18 -11.87 C:169 21.35 -13.30 C:169 22.97 -10.97 C:170 11.08 -11.81 C:170 11.14 -5.99 C:170 9.51 -8.55 C:170 14.84 -12.32 C:172 15.54 -8.62 C:174 18.13 -14.14 C:211 15.31 -7.01 C:34 17.57 -15.39 C:44 16.80 -7.01 C:67 19.35 -11.71 C:81 20.37 -10.67 C:67 17.90 -11.71 C:78 12.91 -10.02 C:80 12.91 -7.65 C:72 15.64 -10.67 C:40 20.37 -9.16 C:89 12.03 -8.85 C:44 14.29 -9.62 C:85 14.29 -8.14 C:81 16.89 -10.67 55 1 -2 2 36 1 3 37 1 4 38 1 5 39 1 6 40 1 7 41 1 8 45 1 9 45 1 46 10 -1 53 11 -2 53 12 -1 54 13 -1 14 36 2 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 56 23 -1 24 25 2 24 46 1 25 53 1 26 27 1 26 42 1 57 27 -2 28 36 1 47 28 -2 29 37 1 48 29 -2 30 38 1 50 30 -1 31 39 1 51 31 -1 32 42 1 52 32 -2 33 43 1 49 33 -1 34 40 1 54 34 -2 35 41 1 57 35 -1 43 45 1 44 46 1 44 56 1 47 48 1 47 49 1 48 53 1 49 57 1 50 54 1 50 55 1 51 54 1 51 56 1 52 55 1 52 57 1 55 56 1', 'C38H52O18', 796.404, 'C', 'ph47_1583_14', 3101, '', '', '1', 1, NULL, NULL),
(12013, '13α-Hydroxyterracinolide B', '(2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13R*,15R*)-2,3,6,8,9,15-Hexaacetoxy-5,21-epoxy-13-hydroxy-7-isobutyroyloxy-14,21-dioxo-17-ethyljatropha-11E-ene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O[C:15001]([CH3:15002])=O)[C:14](=O)[C@:13]([CH3:20])(O)[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7201])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@](C)(O)C=C[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', '[H][C@:47]12[C@@H:81](O[C:170]([CH3:22])=O)[C@:87]([CH3:20])(O[C:170]([CH3:22])=O)[CH2:46][C@:92]1(O[C:169]([CH3:21])=O)[C:213](=O)[C@:82]([CH3:30])(O)[CH:133]=[CH:131][C@:40]([CH3:23])([CH3:26])[C@H:81](O[C:169]([CH3:21])=O)[C@H:68](O[C:170]([CH3:21])=O)[C@@H:68](O[C:176](=O)[CH:34]([CH3:19])[CH3:18])[C@:81]3(O[C:170]([CH3:21])=O)[CH2:26][CH2:29][C:172](=O)O[C@@H:72]23', '57 59 H 13.90 -10.39 C:8002 21.84 -14.44 C:9002 24.05 -11.69 C:3002 10.65 -12.96 C:2002 8.25 -7.66 C:6002 14.57 -13.51 C:15002 12.02 -4.88 C:7003 18.41 -16.34 C:7201 16.18 -15.37 C:19 21.35 -7.81 C:18 21.73 -9.52 C:20 16.53 -5.46 C:16 10.73 -9.44 O 22.26 -12.14 O 23.41 -9.44 O 10.11 -10.60 O 9.50 -9.84 O 13.96 -11.44 O 11.42 -7.24 O 15.31 -7.72 O 19.51 -13.78 O 14.75 -5.55 O 17.90 -5.92 C:11 19.35 -7.97 C:12 17.90 -7.97 C:21 16.98 -8.45 C:17 17.40 -9.44 C:1 12.90 -7.48 O 19.89 -12.87 O 21.60 -11.32 O 12.44 -11.32 O 15.23 -9.44 O 17.31 -12.78 O 10.73 -7.66 O 16.18 -11.69 O 13.77 -6.57 C:8001 21.35 -13.12 C:9001 22.97 -10.78 C:3001 11.07 -11.63 C:2001 9.50 -8.38 C:6001 14.84 -12.14 C:15001 12.44 -6.23 C:22 15.54 -8.45 C:7001 18.13 -13.97 C:14 15.31 -6.84 C:7002 17.57 -15.22 C:8 19.35 -11.53 C:9 20.37 -10.48 C:7 17.90 -11.53 C:3 12.90 -9.84 C:5 15.64 -10.48 C:10 20.37 -8.99 C:13 16.80 -6.84 C:2 12.02 -8.68 C:4 14.29 -9.44 C:6 16.89 -10.48 C:15 14.29 -7.97 55 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 42 1 8 46 1 9 46 1 52 10 -1 52 11 -2 53 12 -1 54 13 -1 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 42 2 20 43 2 21 44 2 22 45 2 53 23 -2 24 25 2 24 52 1 25 53 1 26 27 1 26 43 1 56 27 -2 28 54 1 28 57 1 29 37 1 47 29 -2 30 38 1 48 30 -2 31 39 1 50 31 -1 32 43 1 51 32 -2 33 44 1 49 33 -1 34 40 1 54 34 -2 35 41 1 56 35 -1 36 42 1 57 36 -1 44 46 1 45 53 1 45 57 1 47 48 1 47 49 1 48 52 1 49 56 1 50 54 1 50 55 1 51 55 1 51 56 1 55 57 1', '57 59 H 13.90 -10.39 C 21.84 -14.44 C 24.05 -11.69 C 10.65 -12.96 C 8.25 -7.66 C 14.57 -13.51 C 12.02 -4.88 C 18.41 -16.34 C 16.18 -15.37 C 21.35 -7.81 C 21.73 -9.52 C 16.53 -5.46 C 10.73 -9.44 O 22.26 -12.14 O 23.41 -9.44 O 10.11 -10.60 O 9.50 -9.84 O 13.96 -11.44 O 11.42 -7.24 O 15.31 -7.72 O 19.51 -13.78 O 14.75 -5.55 O 17.90 -5.92 C 19.35 -7.97 C 17.90 -7.97 C 16.98 -8.45 C 17.40 -9.44 C 12.90 -7.48 O 19.89 -12.87 O 21.60 -11.32 O 12.44 -11.32 O 15.23 -9.44 O 17.31 -12.78 O 10.73 -7.66 O 16.18 -11.69 O 13.77 -6.57 C 21.35 -13.12 C 22.97 -10.78 C 11.07 -11.63 C 9.50 -8.38 C 14.84 -12.14 C 12.44 -6.23 C 15.54 -8.45 C 18.13 -13.97 C 15.31 -6.84 C 17.57 -15.22 C 19.35 -11.53 C 20.37 -10.48 C 17.90 -11.53 C 12.90 -9.84 C 15.64 -10.48 C 20.37 -8.99 C 16.80 -6.84 C 12.02 -8.68 C 14.29 -9.44 C 16.89 -10.48 C 14.29 -7.97 55 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 42 1 8 46 1 9 46 1 52 10 -1 52 11 -2 53 12 -1 54 13 -1 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 42 2 20 43 2 21 44 2 22 45 2 53 23 -2 24 25 2 24 52 1 25 53 1 26 27 1 26 43 1 56 27 -2 28 54 1 28 57 1 29 37 1 47 29 -2 30 38 1 48 30 -2 31 39 1 50 31 -1 32 43 1 51 32 -2 33 44 1 49 33 -1 34 40 1 54 34 -2 35 41 1 56 35 -1 36 42 1 57 36 -1 44 46 1 45 53 1 45 57 1 47 48 1 47 49 1 48 52 1 49 56 1 50 54 1 50 55 1 51 55 1 51 56 1 55 57 1', '57 59 H 13.90 -10.39 C:21 21.84 -14.44 C:21 24.05 -11.69 C:22 10.65 -12.96 C:22 8.25 -7.66 C:21 14.57 -13.51 C:21 12.02 -4.88 C:19 18.41 -16.34 C:18 16.18 -15.37 C:23 21.35 -7.81 C:26 21.73 -9.52 C:30 16.53 -5.46 C:20 10.73 -9.44 O 22.26 -12.14 O 23.41 -9.44 O 10.11 -10.60 O 9.50 -9.84 O 13.96 -11.44 O 11.42 -7.24 O 15.31 -7.72 O 19.51 -13.78 O 14.75 -5.55 O 17.90 -5.92 C:131 19.35 -7.97 C:133 17.90 -7.97 C:29 16.98 -8.45 C:26 17.40 -9.44 C:46 12.90 -7.48 O 19.89 -12.87 O 21.60 -11.32 O 12.44 -11.32 O 15.23 -9.44 O 17.31 -12.78 O 10.73 -7.66 O 16.18 -11.69 O 13.77 -6.57 C:170 21.35 -13.12 C:169 22.97 -10.78 C:170 11.07 -11.63 C:170 9.50 -8.38 C:170 14.84 -12.14 C:169 12.44 -6.23 C:172 15.54 -8.45 C:176 18.13 -13.97 C:213 15.31 -6.84 C:34 17.57 -15.22 C:68 19.35 -11.53 C:81 20.37 -10.48 C:68 17.90 -11.53 C:81 12.90 -9.84 C:72 15.64 -10.48 C:40 20.37 -8.99 C:82 16.80 -6.84 C:87 12.02 -8.68 C:47 14.29 -9.44 C:81 16.89 -10.48 C:92 14.29 -7.97 55 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 42 1 8 46 1 9 46 1 52 10 -1 52 11 -2 53 12 -1 54 13 -1 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 42 2 20 43 2 21 44 2 22 45 2 53 23 -2 24 25 2 24 52 1 25 53 1 26 27 1 26 43 1 56 27 -2 28 54 1 28 57 1 29 37 1 47 29 -2 30 38 1 48 30 -2 31 39 1 50 31 -1 32 43 1 51 32 -2 33 44 1 49 33 -1 34 40 1 54 34 -2 35 41 1 56 35 -1 36 42 1 57 36 -1 44 46 1 45 53 1 45 57 1 47 48 1 47 49 1 48 52 1 49 56 1 50 54 1 50 55 1 51 55 1 51 56 1 55 57 1', 'C38H52O18', 796.404, 'C', 'ph47_1583_15', 3101, '', '', '1', 1, NULL, NULL),
(12014, '13α-Hydroxyterracinolide I', '(1R*,2S*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-l,2,3,6,8,9-Hexaacetoxy-5,21-epoxy-13,15-dihydroxy-7-isobutyroyloxy-14,21-dioxo-17-ethyljatropha-llE-ene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:1](O[C:1001]([CH3:1002])=O)[C@:15]1(O)[C:14](=O)[C@:13]([CH3:20])(O)[CH:12]=[CH:11][C@@:10]([CH3:18])([CH3:19])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@]1(O)C(=O)[C@](C)(O)C=C[C@@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', 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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
(12021, '', '(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-Triacetoxy-5-(2-hydroxyacetoxy)-3-benzoylo.~:v-15-hydroxy-9-oxo-segetane', 'Terpenoids', 'Diterpenoids', 'Segetanes', '[H][C@@:8]45[CH2:7][C@:6]3(O[C:6001]([CH3:6002])=O)[C@@H:17](O)[C@:13]([CH3:20])([C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]2(O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]1)[C@:4]2([H])[C@H:5]3O[C:5001]([CH3:5002])=O)[C@@:12]4([H])[CH2:11][C@:10]([CH3:19])([CH3:18])[C:9]5=O', '[H][C@@]45C[C@]3(OC(C)=O)[C@@H](O)[C@](C)([C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]2([H])[C@H]3OC(C)=O)[C@@]4([H])C[C@](C)(C)C5=O', '[H][C@@:47]45[CH2:32][C@:83]3(O[C:170]([CH3:21])=O)[C@@H:70](O)[C@:46]([CH3:26])([C@@H:76](O[C:170]([CH3:21])=O)[C@@:83]2(O)[CH2:50][C@H:37]([CH3:14])[C@H:81](O[C:166](=O)[c:129]1[cH:129][cH:129][cH:134][cH:129][cH:129]1)[C@:48]2([H])[C@H:69]3O[C:169]([CH3:21])=O)[C@@:43]4([H])[CH2:36][C@:46]([CH3:27])([CH3:25])[C:219]5=O', '47 51 H 19.77 -10.75 H 18.97 -7.69 H 15.29 -11.59 C:5002 15.38 -15.38 C:14002 16.12 -4.43 C:6002 20.18 -14.77 C:16 11.76 -9.94 C:19 21.62 -7.24 C:18 22.35 -9.13 C:20 18.01 -6.51 O 17.52 -14.20 O 18.01 -5.99 O 20.44 -12.33 O 11.23 -11.67 O 21.55 -11.01 O 15.94 -9.94 O 15.01 -7.84 C:3005 10.91 -16.73 C:3006 9.96 -15.69 C:3004 12.27 -16.43 C:3007 10.39 -14.36 C:3003 12.70 -15.10 C:1 14.06 -8.86 C:11 19.91 -7.84 C:7 18.83 -11.30 O 15.46 -12.95 O 15.72 -6.83 O 13.59 -12.40 O 18.22 -13.31 C:5001 16.12 -14.20 C:14001 16.61 -5.75 C:6001 19.60 -13.47 C:3001 12.18 -12.70 C:9 20.68 -9.87 C:3002 11.76 -14.06 C:2 13.20 -9.94 C:17 17.17 -9.94 C:3 13.99 -11.07 C:5 16.20 -11.75 C:14 16.20 -8.15 C:10 21.03 -8.55 C:8 19.31 -9.94 C:12 18.83 -8.61 C:4 15.29 -10.67 C:13 17.62 -7.91 C:15 15.29 -9.24 C:6 17.62 -12.02 42 1 -1 43 2 -2 44 3 -2 4 30 1 5 31 1 6 32 1 36 7 -1 41 8 -1 41 9 -2 45 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 34 2 37 16 -1 46 17 -1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 36 1 23 46 1 24 41 1 24 43 1 25 42 1 25 47 1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 38 28 -1 29 32 1 47 29 -2 33 35 1 34 41 1 34 42 1 36 38 1 37 45 1 37 47 1 38 44 1 39 44 1 39 47 1 40 45 1 40 46 1 42 43 1 43 45 1 44 46 1', '47 51 H 19.77 -10.75 H 18.97 -7.69 H 15.29 -11.59 C 15.38 -15.38 C 16.12 -4.43 C 20.18 -14.77 C 11.76 -9.94 C 21.62 -7.24 C 22.35 -9.13 C 18.01 -6.51 O 17.52 -14.20 O 18.01 -5.99 O 20.44 -12.33 O 11.23 -11.67 O 21.55 -11.01 O 15.94 -9.94 O 15.01 -7.84 C 10.91 -16.73 C 9.96 -15.69 C 12.27 -16.43 C 10.39 -14.36 C 12.70 -15.10 C 14.06 -8.86 C 19.91 -7.84 C 18.83 -11.30 O 15.46 -12.95 O 15.72 -6.83 O 13.59 -12.40 O 18.22 -13.31 C 16.12 -14.20 C 16.61 -5.75 C 19.60 -13.47 C 12.18 -12.70 C 20.68 -9.87 C 11.76 -14.06 C 13.20 -9.94 C 17.17 -9.94 C 13.99 -11.07 C 16.20 -11.75 C 16.20 -8.15 C 21.03 -8.55 C 19.31 -9.94 C 18.83 -8.61 C 15.29 -10.67 C 17.62 -7.91 C 15.29 -9.24 C 17.62 -12.02 42 1 -1 43 2 -2 44 3 -2 4 30 1 5 31 1 6 32 1 36 7 -1 41 8 -1 41 9 -2 45 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 34 2 37 16 -1 46 17 -1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 36 1 23 46 1 24 41 1 24 43 1 25 42 1 25 47 1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 38 28 -1 29 32 1 47 29 -2 33 35 1 34 41 1 34 42 1 36 38 1 37 45 1 37 47 1 38 44 1 39 44 1 39 47 1 40 45 1 40 46 1 42 43 1 43 45 1 44 46 1', '47 51 H 19.77 -10.75 H 18.97 -7.69 H 15.29 -11.59 C:21 15.38 -15.38 C:21 16.12 -4.43 C:21 20.18 -14.77 C:14 11.76 -9.94 C:27 21.62 -7.24 C:25 22.35 -9.13 C:26 18.01 -6.51 O 17.52 -14.20 O 18.01 -5.99 O 20.44 -12.33 O 11.23 -11.67 O 21.55 -11.01 O 15.94 -9.94 O 15.01 -7.84 C:134 10.91 -16.73 C:129 9.96 -15.69 C:129 12.27 -16.43 C:129 10.39 -14.36 C:129 12.70 -15.10 C:50 14.06 -8.86 C:36 19.91 -7.84 C:32 18.83 -11.30 O 15.46 -12.95 O 15.72 -6.83 O 13.59 -12.40 O 18.22 -13.31 C:169 16.12 -14.20 C:170 16.61 -5.75 C:170 19.60 -13.47 C:166 12.18 -12.70 C:219 20.68 -9.87 C:129 11.76 -14.06 C:37 13.20 -9.94 C:70 17.17 -9.94 C:81 13.99 -11.07 C:69 16.20 -11.75 C:76 16.20 -8.15 C:46 21.03 -8.55 C:47 19.31 -9.94 C:43 18.83 -8.61 C:48 15.29 -10.67 C:46 17.62 -7.91 C:83 15.29 -9.24 C:83 17.62 -12.02 42 1 -1 43 2 -2 44 3 -2 4 30 1 5 31 1 6 32 1 36 7 -1 41 8 -1 41 9 -2 45 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 34 2 37 16 -1 46 17 -1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 36 1 23 46 1 24 41 1 24 43 1 25 42 1 25 47 1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 38 28 -1 29 32 1 47 29 -2 33 35 1 34 41 1 34 42 1 36 38 1 37 45 1 37 47 1 38 44 1 39 44 1 39 47 1 40 45 1 40 46 1 42 43 1 43 45 1 44 46 1', 'C33H42O11', 614.37, 'C', 'ph47_1583_24', 3101, '', '', '1', 1, NULL, NULL),
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(12033, '', '2-Acetoxy-1,15-beyeradiene-3,12-dione', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]12[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:14]1)[C:12](=O)[CH2:11][C@:9]2([H])[C@@:10]3([CH3:20])[CH:1]=[C:2](O[C:2001]([CH3:2002])=O)[C:3](=O)[C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34CC[C@@]12C=C[C@@](C)(C1)C(=O)C[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)[C@]4(C)C', '[H][C@@:52]34[CH2:20][CH2:36][C@@:50]12[CH:134]=[CH:137][C@@:58]([CH3:17])([CH2:58]1)[C:210](=O)[CH2:36][C@:50]2([H])[C@@:40]3([CH3:17])[CH:141]=[C:143](O[C:169]([CH3:20])=O)[C:197](=O)[C@:45]4([CH3:27])[CH3:22]', '28 31 H 16.20 -13.54 H 17.40 -11.43 C:2002 11.24 -8.30 C:18 15.93 -14.30 C:19 13.93 -14.21 C:17 19.83 -7.61 C:20 16.20 -9.74 O 13.69 -8.30 O 18.61 -6.91 O 12.51 -13.18 C:16 20.97 -10.01 C:15 20.18 -11.43 C:1 14.96 -10.43 C:6 17.40 -13.26 C:7 18.61 -12.53 C:11 17.40 -9.00 C:14 19.83 -10.43 O 12.51 -10.43 C:2001 12.51 -9.00 C:12 18.61 -8.30 C:2 13.74 -11.15 C:3 13.74 -12.53 C:4 14.96 -13.26 C:13 19.83 -9.00 C:10 16.20 -11.15 C:5 16.20 -12.53 C:9 17.40 -10.43 C:8 18.61 -11.15 26 1 -2 27 2 -2 3 19 1 23 4 -2 23 5 -1 24 6 -1 25 7 -1 8 19 2 9 20 2 10 22 2 11 12 2 11 24 1 12 28 1 13 21 2 13 25 1 14 15 1 14 26 1 15 28 1 16 20 1 16 27 1 24 17 -2 28 17 -2 18 19 1 18 21 1 20 24 1 21 22 1 22 23 1 23 26 1 25 26 1 25 27 1 27 28 1', '28 31 H 16.20 -13.54 H 17.40 -11.43 C 11.24 -8.30 C 15.93 -14.30 C 13.93 -14.21 C 19.83 -7.61 C 16.20 -9.74 O 13.69 -8.30 O 18.61 -6.91 O 12.51 -13.18 C 20.97 -10.01 C 20.18 -11.43 C 14.96 -10.43 C 17.40 -13.26 C 18.61 -12.53 C 17.40 -9.00 C 19.83 -10.43 O 12.51 -10.43 C 12.51 -9.00 C 18.61 -8.30 C 13.74 -11.15 C 13.74 -12.53 C 14.96 -13.26 C 19.83 -9.00 C 16.20 -11.15 C 16.20 -12.53 C 17.40 -10.43 C 18.61 -11.15 26 1 -2 27 2 -2 3 19 1 23 4 -2 23 5 -1 24 6 -1 25 7 -1 8 19 2 9 20 2 10 22 2 11 12 2 11 24 1 12 28 1 13 21 2 13 25 1 14 15 1 14 26 1 15 28 1 16 20 1 16 27 1 24 17 -2 28 17 -2 18 19 1 18 21 1 20 24 1 21 22 1 22 23 1 23 26 1 25 26 1 25 27 1 27 28 1', '28 31 H 16.20 -13.54 H 17.40 -11.43 C:20 11.24 -8.30 C:27 15.93 -14.30 C:22 13.93 -14.21 C:17 19.83 -7.61 C:17 16.20 -9.74 O 13.69 -8.30 O 18.61 -6.91 O 12.51 -13.18 C:137 20.97 -10.01 C:134 20.18 -11.43 C:141 14.96 -10.43 C:20 17.40 -13.26 C:36 18.61 -12.53 C:36 17.40 -9.00 C:58 19.83 -10.43 O 12.51 -10.43 C:169 12.51 -9.00 C:210 18.61 -8.30 C:143 13.74 -11.15 C:197 13.74 -12.53 C:45 14.96 -13.26 C:58 19.83 -9.00 C:40 16.20 -11.15 C:52 16.20 -12.53 C:50 17.40 -10.43 C:50 18.61 -11.15 26 1 -2 27 2 -2 3 19 1 23 4 -2 23 5 -1 24 6 -1 25 7 -1 8 19 2 9 20 2 10 22 2 11 12 2 11 24 1 12 28 1 13 21 2 13 25 1 14 15 1 14 26 1 15 28 1 16 20 1 16 27 1 24 17 -2 28 17 -2 18 19 1 18 21 1 20 24 1 21 22 1 22 23 1 23 26 1 25 26 1 25 27 1 27 28 1', 'C22H28O4', 356.249, 'C', 'np02_382_5', 3103, '', '', '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
(12035, 'Hongdoushan A', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@@:3]12[C:4](=[CH2:20])[C@@H:5](O[C:5001]([CH3:5002])=O)[CH2:6][CH2:7][C@@:8]1([CH3:19])[CH2:9][C@H:10](O)[C:11]3=[C:12]([CH3:18])[CH2:13][C@H:14](O[C:14001](=O)[C@@H:14002]([CH3:14201])[CH2:14003][CH3:14004])[C@@:1]([H])([C@H:2]2O[C:2001]([CH3:2002])=O)[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]12C(=C)[C@@H](OC(C)=O)CC[C@@]1(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@]([H])([C@H]2OC(C)=O)[C@@]3(C)C', '[H][C@@:42]12[C:142](=[CH2:117])[C@@H:78](O[C:170]([CH3:21])=O)[CH2:29][CH2:34][C@@:40]1([CH3:23])[CH2:47][C@H:67](O)[C:139]3=[C:132]([CH3:21])[CH2:40][C@H:70](O[C:176](=O)[C@@H:41]([CH3:17])[CH2:27][CH3:12])[C@@:59]([H])([C@H:71]2O[C:170]([CH3:21])=O)[C@@:37]3([CH3:32])[CH3:25]', '38 40 H 18.51 -11.13 H 15.10 -11.82 C:20 19.61 -12.30 C:14004 8.94 -14.32 C:5002 23.31 -12.92 C:2002 17.05 -14.96 C:18 13.17 -7.22 C:14201 11.73 -14.32 C:17 16.90 -10.37 C:16 16.90 -8.90 C:19 18.70 -7.30 O 20.90 -12.92 O 15.24 -13.35 O 11.05 -10.70 O 15.15 -6.25 C:14003 9.64 -13.10 C:6 20.90 -8.70 C:7 19.61 -7.98 C:13 13.27 -9.64 C:9 17.52 -7.37 O 22.09 -10.77 O 17.52 -12.58 O 13.17 -11.92 C:5001 22.09 -12.20 C:2001 16.61 -13.63 C:12 13.90 -8.46 C:4 19.61 -10.87 C:14001 11.73 -11.92 C:11 15.24 -8.46 C:14002 11.05 -13.10 C:10 15.99 -7.37 C:5 20.90 -10.13 C:14 13.90 -10.77 C:2 17.05 -11.28 C:15 15.82 -9.64 C:8 18.37 -8.70 C:3 18.37 -10.13 C:1 15.24 -10.77 37 1 -2 38 2 -1 3 27 2 4 16 1 5 24 1 6 25 1 7 26 1 30 8 -1 35 9 -1 35 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 31 15 -1 16 30 1 17 18 1 17 32 1 18 36 1 19 26 1 19 33 1 20 31 1 20 36 1 21 24 1 32 21 -2 22 25 1 34 22 -2 23 28 1 33 23 -1 26 29 2 27 32 1 27 37 1 28 30 1 29 31 1 29 35 1 33 38 1 34 37 1 34 38 1 35 38 1 36 37 1', '38 40 H 18.51 -11.13 H 15.10 -11.82 C 19.61 -12.30 C 8.94 -14.32 C 23.31 -12.92 C 17.05 -14.96 C 13.17 -7.22 C 11.73 -14.32 C 16.90 -10.37 C 16.90 -8.90 C 18.70 -7.30 O 20.90 -12.92 O 15.24 -13.35 O 11.05 -10.70 O 15.15 -6.25 C 9.64 -13.10 C 20.90 -8.70 C 19.61 -7.98 C 13.27 -9.64 C 17.52 -7.37 O 22.09 -10.77 O 17.52 -12.58 O 13.17 -11.92 C 22.09 -12.20 C 16.61 -13.63 C 13.90 -8.46 C 19.61 -10.87 C 11.73 -11.92 C 15.24 -8.46 C 11.05 -13.10 C 15.99 -7.37 C 20.90 -10.13 C 13.90 -10.77 C 17.05 -11.28 C 15.82 -9.64 C 18.37 -8.70 C 18.37 -10.13 C 15.24 -10.77 37 1 -2 38 2 -1 3 27 2 4 16 1 5 24 1 6 25 1 7 26 1 30 8 -1 35 9 -1 35 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 31 15 -1 16 30 1 17 18 1 17 32 1 18 36 1 19 26 1 19 33 1 20 31 1 20 36 1 21 24 1 32 21 -2 22 25 1 34 22 -2 23 28 1 33 23 -1 26 29 2 27 32 1 27 37 1 28 30 1 29 31 1 29 35 1 33 38 1 34 37 1 34 38 1 35 38 1 36 37 1', '38 40 H 18.51 -11.13 H 15.10 -11.82 C:117 19.61 -12.30 C:12 8.94 -14.32 C:21 23.31 -12.92 C:21 17.05 -14.96 C:21 13.17 -7.22 C:17 11.73 -14.32 C:32 16.90 -10.37 C:25 16.90 -8.90 C:23 18.70 -7.30 O 20.90 -12.92 O 15.24 -13.35 O 11.05 -10.70 O 15.15 -6.25 C:27 9.64 -13.10 C:29 20.90 -8.70 C:34 19.61 -7.98 C:40 13.27 -9.64 C:47 17.52 -7.37 O 22.09 -10.77 O 17.52 -12.58 O 13.17 -11.92 C:170 22.09 -12.20 C:170 16.61 -13.63 C:132 13.90 -8.46 C:142 19.61 -10.87 C:176 11.73 -11.92 C:139 15.24 -8.46 C:41 11.05 -13.10 C:67 15.99 -7.37 C:78 20.90 -10.13 C:70 13.90 -10.77 C:71 17.05 -11.28 C:37 15.82 -9.64 C:40 18.37 -8.70 C:42 18.37 -10.13 C:59 15.24 -10.77 37 1 -2 38 2 -1 3 27 2 4 16 1 5 24 1 6 25 1 7 26 1 30 8 -1 35 9 -1 35 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 31 15 -1 16 30 1 17 18 1 17 32 1 18 36 1 19 26 1 19 33 1 20 31 1 20 36 1 21 24 1 32 21 -2 22 25 1 34 22 -2 23 28 1 33 23 -1 26 29 2 27 32 1 27 37 1 28 30 1 29 31 1 29 35 1 33 38 1 34 37 1 34 38 1 35 38 1 36 37 1', 'C29H44O7', 504.322, 'C', 'np02_1700_1', 3104, '', '', '1', 1, NULL, NULL),
(12036, 'Hongdoushan B', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@@:3]12[C:4](=[CH2:20])[C@@H:5](O[C:5001]([CH3:5002])=O)[CH2:6][CH2:7][C@@:8]1([CH3:19])[CH2:9][C@H:10](O)[C:11]3=[C:12]([CH3:18])[CH2:13][C@H:14](O[C:14001](=O)[CH2:14002][CH3:14003])[C@@:1]([H])([C@H:2]2O[C:2001]([CH3:2002])=O)[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]12C(=C)[C@@H](OC(C)=O)CC[C@@]1(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)CC)[C@@]([H])([C@H]2OC(C)=O)[C@@]3(C)C', '[H][C@@:42]12[C:142](=[CH2:117])[C@@H:78](O[C:170]([CH3:21])=O)[CH2:30][CH2:34][C@@:40]1([CH3:23])[CH2:47][C@H:67](O)[C:139]3=[C:132]([CH3:21])[CH2:40][C@H:71](O[C:173](=O)[CH2:28][CH3:9])[C@@:59]([H])([C@H:71]2O[C:170]([CH3:22])=O)[C@@:37]3([CH3:32])[CH3:25]', '36 38 H 18.17 -11.14 H 14.75 -11.82 C:20 19.26 -12.30 C:14003 9.32 -13.08 C:5002 22.96 -12.87 C:2002 16.70 -14.95 C:18 12.85 -7.21 C:17 16.55 -10.38 C:16 16.55 -8.90 C:19 18.36 -7.29 O 20.54 -12.87 O 14.89 -13.37 O 10.71 -10.71 O 14.75 -6.24 C:14002 10.71 -13.08 C:6 20.54 -8.70 C:7 19.26 -7.98 C:13 12.85 -9.65 C:9 17.17 -7.36 O 21.75 -10.78 O 17.17 -12.59 O 12.85 -11.92 C:5001 21.75 -12.18 C:2001 16.25 -13.65 C:12 13.56 -8.47 C:14001 11.39 -11.92 C:4 19.26 -10.88 C:11 14.89 -8.47 C:10 15.64 -7.36 C:5 20.54 -10.14 C:14 13.56 -10.78 C:2 16.70 -11.29 C:15 15.47 -9.65 C:8 18.03 -8.70 C:3 18.03 -10.14 C:1 14.89 -10.78 35 1 -2 36 2 -1 3 27 2 4 15 1 5 23 1 6 24 1 7 25 1 33 8 -1 33 9 -2 34 10 -1 11 23 2 12 24 2 13 26 2 29 14 -1 15 26 1 16 17 1 16 30 1 17 34 1 18 25 1 18 31 1 19 29 1 19 34 1 20 23 1 30 20 -2 21 24 1 32 21 -2 22 26 1 31 22 -1 25 28 2 27 30 1 27 35 1 28 29 1 28 33 1 31 36 1 32 35 1 32 36 1 33 36 1 34 35 1', '36 38 H 18.17 -11.14 H 14.75 -11.82 C 19.26 -12.30 C 9.32 -13.08 C 22.96 -12.87 C 16.70 -14.95 C 12.85 -7.21 C 16.55 -10.38 C 16.55 -8.90 C 18.36 -7.29 O 20.54 -12.87 O 14.89 -13.37 O 10.71 -10.71 O 14.75 -6.24 C 10.71 -13.08 C 20.54 -8.70 C 19.26 -7.98 C 12.85 -9.65 C 17.17 -7.36 O 21.75 -10.78 O 17.17 -12.59 O 12.85 -11.92 C 21.75 -12.18 C 16.25 -13.65 C 13.56 -8.47 C 11.39 -11.92 C 19.26 -10.88 C 14.89 -8.47 C 15.64 -7.36 C 20.54 -10.14 C 13.56 -10.78 C 16.70 -11.29 C 15.47 -9.65 C 18.03 -8.70 C 18.03 -10.14 C 14.89 -10.78 35 1 -2 36 2 -1 3 27 2 4 15 1 5 23 1 6 24 1 7 25 1 33 8 -1 33 9 -2 34 10 -1 11 23 2 12 24 2 13 26 2 29 14 -1 15 26 1 16 17 1 16 30 1 17 34 1 18 25 1 18 31 1 19 29 1 19 34 1 20 23 1 30 20 -2 21 24 1 32 21 -2 22 26 1 31 22 -1 25 28 2 27 30 1 27 35 1 28 29 1 28 33 1 31 36 1 32 35 1 32 36 1 33 36 1 34 35 1', '36 38 H 18.17 -11.14 H 14.75 -11.82 C:117 19.26 -12.30 C:9 9.32 -13.08 C:21 22.96 -12.87 C:22 16.70 -14.95 C:21 12.85 -7.21 C:32 16.55 -10.38 C:25 16.55 -8.90 C:23 18.36 -7.29 O 20.54 -12.87 O 14.89 -13.37 O 10.71 -10.71 O 14.75 -6.24 C:28 10.71 -13.08 C:30 20.54 -8.70 C:34 19.26 -7.98 C:40 12.85 -9.65 C:47 17.17 -7.36 O 21.75 -10.78 O 17.17 -12.59 O 12.85 -11.92 C:170 21.75 -12.18 C:170 16.25 -13.65 C:132 13.56 -8.47 C:173 11.39 -11.92 C:142 19.26 -10.88 C:139 14.89 -8.47 C:67 15.64 -7.36 C:78 20.54 -10.14 C:71 13.56 -10.78 C:71 16.70 -11.29 C:37 15.47 -9.65 C:40 18.03 -8.70 C:42 18.03 -10.14 C:59 14.89 -10.78 35 1 -2 36 2 -1 3 27 2 4 15 1 5 23 1 6 24 1 7 25 1 33 8 -1 33 9 -2 34 10 -1 11 23 2 12 24 2 13 26 2 29 14 -1 15 26 1 16 17 1 16 30 1 17 34 1 18 25 1 18 31 1 19 29 1 19 34 1 20 23 1 30 20 -2 21 24 1 32 21 -2 22 26 1 31 22 -1 25 28 2 27 30 1 27 35 1 28 29 1 28 33 1 31 36 1 32 35 1 32 36 1 33 36 1 34 35 1', 'C27H40O7', 476.301, 'C', 'np02_1700_2', 3104, '', '', '1', 1, NULL, NULL),
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(12047, '', '13α-Acetoxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-diene-5α-ol', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@:1]34[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]([C@H:10]1O[C:101]([CH3:102])([CH3:103])O[C@@H:9]1[C@:8]2([CH3:19])[CH2:7][CH2:6][C@H:5](O)[C:4](=[CH2:20])[C@@:3]2([H])[C@@H:2]3O[CH2:2001]O[CH3:2002])[C@:15]4([CH3:17])[CH3:16]', '[H][C@]34C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)(C)O[C@@H]1[C@]2(C)CC[C@H](O)C(=C)[C@@]2([H])[C@@H]3OCOC)[C@]4(C)C', '[H][C@:47]34[CH2:29][C@H:70](O[C:170]([CH3:21])=O)[C:139]([CH3:16])=[C:136]([C@H:75]1O[C:107]([CH3:27])([CH3:27])O[C@@H:82]1[C@:41]2([CH3:18])[CH2:25][CH2:30][C@H:78](O)[C:148](=[CH2:116])[C@@:41]2([H])[C@@H:76]3O[CH2:96]O[CH3:56])[C@:38]4([CH3:25])[CH3:33]', '36 39 H 15.27 -12.36 H 18.70 -11.68 C:20 19.79 -12.84 C:2002 16.30 -16.59 C:13002 9.99 -11.39 C:18 13.43 -7.76 C:102 17.64 -4.54 C:103 16.24 -4.54 C:17 17.09 -10.91 C:16 17.09 -9.43 C:19 18.89 -7.84 O 12.11 -12.59 O 22.32 -11.31 C:2001 16.78 -14.21 C:6 21.09 -9.22 C:7 19.79 -8.51 C:14 14.06 -11.31 O 17.23 -15.54 O 17.70 -13.14 O 12.11 -10.17 O 15.81 -6.57 O 18.08 -6.57 C:13001 11.39 -11.39 C:4 19.79 -11.39 C:12 14.06 -9.00 C:11 15.42 -9.00 C:5 21.09 -10.67 C:13 13.43 -10.17 C:10 16.17 -7.91 C:9 17.70 -7.91 C:2 17.23 -11.83 C:101 16.94 -5.75 C:15 15.99 -10.17 C:1 15.42 -11.31 C:3 18.56 -10.67 C:8 18.56 -9.22 34 1 -1 35 2 -2 3 24 2 4 18 1 5 23 1 6 25 1 7 32 1 8 32 1 33 9 -1 33 10 -2 36 11 -1 12 23 2 27 13 -2 14 18 1 14 19 1 15 16 1 15 27 1 16 36 1 17 28 1 17 34 1 31 19 -2 20 23 1 28 20 -2 29 21 -1 21 32 1 30 22 -2 22 32 1 24 27 1 24 35 1 25 26 2 25 28 1 26 29 1 26 33 1 29 30 1 30 36 1 31 34 1 31 35 1 33 34 1 35 36 1', '36 39 H 15.27 -12.36 H 18.70 -11.68 C 19.79 -12.84 C 16.30 -16.59 C 9.99 -11.39 C 13.43 -7.76 C 17.64 -4.54 C 16.24 -4.54 C 17.09 -10.91 C 17.09 -9.43 C 18.89 -7.84 O 12.11 -12.59 O 22.32 -11.31 C 16.78 -14.21 C 21.09 -9.22 C 19.79 -8.51 C 14.06 -11.31 O 17.23 -15.54 O 17.70 -13.14 O 12.11 -10.17 O 15.81 -6.57 O 18.08 -6.57 C 11.39 -11.39 C 19.79 -11.39 C 14.06 -9.00 C 15.42 -9.00 C 21.09 -10.67 C 13.43 -10.17 C 16.17 -7.91 C 17.70 -7.91 C 17.23 -11.83 C 16.94 -5.75 C 15.99 -10.17 C 15.42 -11.31 C 18.56 -10.67 C 18.56 -9.22 34 1 -1 35 2 -2 3 24 2 4 18 1 5 23 1 6 25 1 7 32 1 8 32 1 33 9 -1 33 10 -2 36 11 -1 12 23 2 27 13 -2 14 18 1 14 19 1 15 16 1 15 27 1 16 36 1 17 28 1 17 34 1 31 19 -2 20 23 1 28 20 -2 29 21 -1 21 32 1 30 22 -2 22 32 1 24 27 1 24 35 1 25 26 2 25 28 1 26 29 1 26 33 1 29 30 1 30 36 1 31 34 1 31 35 1 33 34 1 35 36 1', '36 39 H 15.27 -12.36 H 18.70 -11.68 C:116 19.79 -12.84 C:56 16.30 -16.59 C:21 9.99 -11.39 C:16 13.43 -7.76 C:27 17.64 -4.54 C:27 16.24 -4.54 C:25 17.09 -10.91 C:33 17.09 -9.43 C:18 18.89 -7.84 O 12.11 -12.59 O 22.32 -11.31 C:96 16.78 -14.21 C:30 21.09 -9.22 C:25 19.79 -8.51 C:29 14.06 -11.31 O 17.23 -15.54 O 17.70 -13.14 O 12.11 -10.17 O 15.81 -6.57 O 18.08 -6.57 C:170 11.39 -11.39 C:148 19.79 -11.39 C:139 14.06 -9.00 C:136 15.42 -9.00 C:78 21.09 -10.67 C:70 13.43 -10.17 C:75 16.17 -7.91 C:82 17.70 -7.91 C:76 17.23 -11.83 C:107 16.94 -5.75 C:38 15.99 -10.17 C:47 15.42 -11.31 C:41 18.56 -10.67 C:41 18.56 -9.22 34 1 -1 35 2 -2 3 24 2 4 18 1 5 23 1 6 25 1 7 32 1 8 32 1 33 9 -1 33 10 -2 36 11 -1 12 23 2 27 13 -2 14 18 1 14 19 1 15 16 1 15 27 1 16 36 1 17 28 1 17 34 1 31 19 -2 20 23 1 28 20 -2 29 21 -1 21 32 1 30 22 -2 22 32 1 24 27 1 24 35 1 25 26 2 25 28 1 26 29 1 26 33 1 29 30 1 30 36 1 31 34 1 31 35 1 33 34 1 35 36 1', 'C27H42O7', 478.301, 'C', 'np02_1786_12', 3105, '', '', '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
(12048, '', '13α-Acetoxy-5α-cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)-taxa-4(20),11-diene', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@:1]45[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]([C@H:10]1O[C:101]([CH3:103])([CH3:102])O[C@@H:9]1[C@:8]3([CH3:19])[CH2:7][CH2:6][C@H:5](O[C:5001](=O)[CH:5002]=[CH:5003][c:5004]2[cH:5009][cH:5008][cH:5007][cH:5006][cH:5005]2)[C:4](=[CH2:20])[C@@:3]3([H])[C@@H:2]4O[CH2:2001]O[CH3:2002])[C@@:15]5([CH3:16])[CH3:17]', '[H][C@]45C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)(C)O[C@@H]1[C@]3(C)CC[C@H](OC(=O)C=Cc2ccccc2)C(=C)[C@@]3([H])[C@@H]4OCOC)[C@@]5(C)C', '[H][C@:47]45[CH2:29][C@H:71](O[C:171]([CH3:21])=O)[C:138]([CH3:16])=[C:135]([C@H:75]1O[C:107]([CH3:27])([CH3:27])O[C@@H:82]1[C@:40]3([CH3:19])[CH2:26][CH2:27][C@H:80](O[C:166](=O)[CH:119]=[CH:145][c:135]2[cH:128][cH:129][cH:134][cH:129][cH:128]2)[C:143](=[CH2:120])[C@@:43]3([H])[C@@H:77]4O[CH2:95]O[CH3:56])[C@@:38]5([CH3:32])[CH3:26]', '46 50 H 11.58 -12.36 H 15.02 -11.68 C:20 16.10 -12.84 C:2002 12.61 -16.59 C:13002 6.30 -11.39 C:18 9.73 -7.76 C:103 12.61 -4.54 C:102 14.01 -4.54 C:16 13.39 -9.43 C:17 13.39 -10.93 C:19 15.21 -7.84 O 8.41 -12.59 O 19.79 -9.15 C:5002 21.04 -11.19 C:5003 22.21 -10.43 C:5007 25.96 -12.36 C:5008 25.96 -10.93 C:5006 24.79 -13.09 C:5009 24.64 -10.30 C:5005 23.54 -12.45 C:2001 13.09 -14.22 C:6 17.40 -9.22 C:7 16.10 -8.51 C:14 10.37 -11.31 O 13.53 -15.55 O 14.01 -13.14 O 8.41 -10.17 O 18.63 -11.31 O 12.12 -6.57 O 14.39 -6.57 C:13001 7.70 -11.39 C:5001 19.79 -10.56 C:4 16.10 -11.39 C:12 10.37 -9.00 C:11 11.73 -9.00 C:5004 23.54 -11.06 C:5 17.40 -10.69 C:13 9.73 -10.17 C:10 12.48 -7.91 C:9 14.01 -7.91 C:2 13.53 -11.83 C:101 13.25 -5.76 C:15 12.30 -10.17 C:1 11.73 -11.31 C:3 14.88 -10.69 C:8 14.88 -9.22 44 1 -1 45 2 -2 3 33 2 4 25 1 5 31 1 6 34 1 7 42 1 8 42 1 43 9 -2 43 10 -1 46 11 -1 12 31 2 13 32 2 14 15 2 14 32 1 15 36 1 16 17 1 16 18 2 17 19 2 18 20 1 19 36 1 20 36 2 21 25 1 21 26 1 22 23 1 22 37 1 23 46 1 24 38 1 24 44 1 41 26 -2 27 31 1 38 27 -2 28 32 1 37 28 -2 39 29 -1 29 42 1 40 30 -2 30 42 1 33 37 1 33 45 1 34 35 2 34 38 1 35 39 1 35 43 1 39 40 1 40 46 1 41 44 1 41 45 1 43 44 1 45 46 1', '46 50 H 11.58 -12.36 H 15.02 -11.68 C 16.10 -12.84 C 12.61 -16.59 C 6.30 -11.39 C 9.73 -7.76 C 12.61 -4.54 C 14.01 -4.54 C 13.39 -9.43 C 13.39 -10.93 C 15.21 -7.84 O 8.41 -12.59 O 19.79 -9.15 C 21.04 -11.19 C 22.21 -10.43 C 25.96 -12.36 C 25.96 -10.93 C 24.79 -13.09 C 24.64 -10.30 C 23.54 -12.45 C 13.09 -14.22 C 17.40 -9.22 C 16.10 -8.51 C 10.37 -11.31 O 13.53 -15.55 O 14.01 -13.14 O 8.41 -10.17 O 18.63 -11.31 O 12.12 -6.57 O 14.39 -6.57 C 7.70 -11.39 C 19.79 -10.56 C 16.10 -11.39 C 10.37 -9.00 C 11.73 -9.00 C 23.54 -11.06 C 17.40 -10.69 C 9.73 -10.17 C 12.48 -7.91 C 14.01 -7.91 C 13.53 -11.83 C 13.25 -5.76 C 12.30 -10.17 C 11.73 -11.31 C 14.88 -10.69 C 14.88 -9.22 44 1 -1 45 2 -2 3 33 2 4 25 1 5 31 1 6 34 1 7 42 1 8 42 1 43 9 -2 43 10 -1 46 11 -1 12 31 2 13 32 2 14 15 2 14 32 1 15 36 1 16 17 1 16 18 2 17 19 2 18 20 1 19 36 1 20 36 2 21 25 1 21 26 1 22 23 1 22 37 1 23 46 1 24 38 1 24 44 1 41 26 -2 27 31 1 38 27 -2 28 32 1 37 28 -2 39 29 -1 29 42 1 40 30 -2 30 42 1 33 37 1 33 45 1 34 35 2 34 38 1 35 39 1 35 43 1 39 40 1 40 46 1 41 44 1 41 45 1 43 44 1 45 46 1', '46 50 H 11.58 -12.36 H 15.02 -11.68 C:120 16.10 -12.84 C:56 12.61 -16.59 C:21 6.30 -11.39 C:16 9.73 -7.76 C:27 12.61 -4.54 C:27 14.01 -4.54 C:32 13.39 -9.43 C:26 13.39 -10.93 C:19 15.21 -7.84 O 8.41 -12.59 O 19.79 -9.15 C:119 21.04 -11.19 C:145 22.21 -10.43 C:134 25.96 -12.36 C:129 25.96 -10.93 C:129 24.79 -13.09 C:128 24.64 -10.30 C:128 23.54 -12.45 C:95 13.09 -14.22 C:27 17.40 -9.22 C:26 16.10 -8.51 C:29 10.37 -11.31 O 13.53 -15.55 O 14.01 -13.14 O 8.41 -10.17 O 18.63 -11.31 O 12.12 -6.57 O 14.39 -6.57 C:171 7.70 -11.39 C:166 19.79 -10.56 C:143 16.10 -11.39 C:138 10.37 -9.00 C:135 11.73 -9.00 C:135 23.54 -11.06 C:80 17.40 -10.69 C:71 9.73 -10.17 C:75 12.48 -7.91 C:82 14.01 -7.91 C:77 13.53 -11.83 C:107 13.25 -5.76 C:38 12.30 -10.17 C:47 11.73 -11.31 C:43 14.88 -10.69 C:40 14.88 -9.22 44 1 -1 45 2 -2 3 33 2 4 25 1 5 31 1 6 34 1 7 42 1 8 42 1 43 9 -2 43 10 -1 46 11 -1 12 31 2 13 32 2 14 15 2 14 32 1 15 36 1 16 17 1 16 18 2 17 19 2 18 20 1 19 36 1 20 36 2 21 25 1 21 26 1 22 23 1 22 37 1 23 46 1 24 38 1 24 44 1 41 26 -2 27 31 1 38 27 -2 28 32 1 37 28 -2 39 29 -1 29 42 1 40 30 -2 30 42 1 33 37 1 33 45 1 34 35 2 34 38 1 35 39 1 35 43 1 39 40 1 40 46 1 41 44 1 41 45 1 43 44 1 45 46 1', 'C36H48O8', 608.396, 'C', 'np02_1786_13', 3105, '', '', '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
(12058, '7,9-Dibenzoyltaxumairol P', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@@:3]13[C@@H:2]5O[CH2:20][C@:4]1(O)[C@@H:5](O[C:5001]([CH3:5002])=O)[CH2:6][C@H:7](O[C:7001](=O)[c:7002]2[cH:7003][cH:7004][cH:7005][cH:7006][cH:7007]2)[C@@:8]3([CH3:19])[C@@H:9](O[C:9001](=O)[c:9002]4[cH:9007][cH:9006][cH:9005][cH:9004][cH:9003]4)[C@H:10](O[C:10001]([CH3:10002])=O)[C:11]6=[C:12]([CH3:18])[C@@H:13](O[C:13001]([CH3:13002])=O)[CH2:14][C@:1]5(O)[C@:15]6([CH3:16])[CH3:17]', '[H][C@@]13[C@@H]5OC[C@]1(O)[C@@H](OC(C)=O)C[C@H](OC(=O)c2ccccc2)[C@@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](OC(C)=O)C6=C(C)[C@@H](OC(C)=O)C[C@]5(O)[C@]6(C)C', '[H][C@@:48]13[C@@H:82]5O[CH2:74][C@:82]1(O)[C@@H:69](O[C:170]([CH3:21])=O)[CH2:31][C@H:71](O[C:165](=O)[c:133]2[cH:130][cH:128][cH:129][cH:128][cH:130]2)[C@@:46]3([CH3:16])[C@@H:78](O[C:167](=O)[c:133]4[cH:130][cH:128][cH:129][cH:128][cH:130]4)[C@H:72](O[C:170]([CH3:22])=O)[C:135]6=[C:138]([CH3:15])[C@@H:71](O[C:170]([CH3:22])=O)[CH2:37][C@:79]5(O)[C@:42]6([CH3:27])[CH3:22]', '54 59 H 17.51 -15.04 C:13002 8.77 -12.40 C:5002 23.44 -14.68 C:10002 13.14 -7.72 C:18 12.23 -11.15 C:16 15.90 -12.81 C:17 15.90 -14.29 C:19 17.68 -11.22 O 10.88 -11.22 O 22.24 -12.61 O 11.92 -9.59 O 21.00 -10.47 O 15.00 -9.49 O 19.80 -15.47 O 13.56 -15.89 C:7005 19.80 -5.64 C:9005 15.90 -4.74 C:7004 21.00 -6.35 C:7006 18.57 -6.35 C:9006 14.69 -5.44 C:9004 17.12 -5.44 C:7003 21.03 -7.75 C:7007 18.57 -7.75 C:9007 14.69 -6.84 C:9003 17.12 -6.84 C:20 18.28 -16.26 C:6 19.80 -12.61 C:14 12.93 -14.68 O 16.78 -16.46 O 10.88 -13.59 O 21.00 -14.78 O 14.15 -10.19 O 18.57 -10.55 O 16.93 -9.93 C:13001 10.16 -12.40 C:5001 22.24 -14.05 C:10001 13.14 -9.12 C:12 12.93 -12.40 C:7001 19.80 -9.81 C:9001 15.90 -8.97 C:11 14.24 -12.40 C:7002 19.80 -8.41 C:9002 15.90 -7.55 C:13 12.31 -13.59 C:7 18.57 -11.89 C:5 19.80 -14.05 C:10 15.00 -11.29 C:9 16.58 -11.29 C:2 16.06 -15.18 C:15 14.83 -13.59 C:3 17.37 -14.05 C:8 17.37 -12.61 C:4 18.57 -14.78 C:1 14.24 -14.68 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 50 6 -2 50 7 -1 52 8 -1 9 35 2 10 36 2 11 37 2 12 39 2 13 40 2 53 14 -2 54 15 -1 16 18 2 16 19 1 17 20 1 17 21 2 18 22 1 19 23 2 20 24 2 21 25 1 22 42 2 23 42 1 24 43 1 25 43 2 26 29 1 26 53 1 27 45 1 27 46 1 28 44 1 28 54 1 49 29 -2 30 35 1 44 30 -2 31 36 1 46 31 -2 32 37 1 47 32 -1 33 39 1 45 33 -1 34 40 1 48 34 -2 38 41 2 38 44 1 39 42 1 40 43 1 41 47 1 41 50 1 45 52 1 46 53 1 47 48 1 48 52 1 49 51 1 49 54 1 50 54 1 51 52 1 51 53 1', '54 59 H 17.51 -15.04 C 8.77 -12.40 C 23.44 -14.68 C 13.14 -7.72 C 12.23 -11.15 C 15.90 -12.81 C 15.90 -14.29 C 17.68 -11.22 O 10.88 -11.22 O 22.24 -12.61 O 11.92 -9.59 O 21.00 -10.47 O 15.00 -9.49 O 19.80 -15.47 O 13.56 -15.89 C 19.80 -5.64 C 15.90 -4.74 C 21.00 -6.35 C 18.57 -6.35 C 14.69 -5.44 C 17.12 -5.44 C 21.03 -7.75 C 18.57 -7.75 C 14.69 -6.84 C 17.12 -6.84 C 18.28 -16.26 C 19.80 -12.61 C 12.93 -14.68 O 16.78 -16.46 O 10.88 -13.59 O 21.00 -14.78 O 14.15 -10.19 O 18.57 -10.55 O 16.93 -9.93 C 10.16 -12.40 C 22.24 -14.05 C 13.14 -9.12 C 12.93 -12.40 C 19.80 -9.81 C 15.90 -8.97 C 14.24 -12.40 C 19.80 -8.41 C 15.90 -7.55 C 12.31 -13.59 C 18.57 -11.89 C 19.80 -14.05 C 15.00 -11.29 C 16.58 -11.29 C 16.06 -15.18 C 14.83 -13.59 C 17.37 -14.05 C 17.37 -12.61 C 18.57 -14.78 C 14.24 -14.68 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 50 6 -2 50 7 -1 52 8 -1 9 35 2 10 36 2 11 37 2 12 39 2 13 40 2 53 14 -2 54 15 -1 16 18 2 16 19 1 17 20 1 17 21 2 18 22 1 19 23 2 20 24 2 21 25 1 22 42 2 23 42 1 24 43 1 25 43 2 26 29 1 26 53 1 27 45 1 27 46 1 28 44 1 28 54 1 49 29 -2 30 35 1 44 30 -2 31 36 1 46 31 -2 32 37 1 47 32 -1 33 39 1 45 33 -1 34 40 1 48 34 -2 38 41 2 38 44 1 39 42 1 40 43 1 41 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-14.78 C:79 14.24 -14.68 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 50 6 -2 50 7 -1 52 8 -1 9 35 2 10 36 2 11 37 2 12 39 2 13 40 2 53 14 -2 54 15 -1 16 18 2 16 19 1 17 20 1 17 21 2 18 22 1 19 23 2 20 24 2 21 25 1 22 42 2 23 42 1 24 43 1 25 43 2 26 29 1 26 53 1 27 45 1 27 46 1 28 44 1 28 54 1 49 29 -2 30 35 1 44 30 -2 31 36 1 46 31 -2 32 37 1 47 32 -1 33 39 1 45 33 -1 34 40 1 48 34 -2 38 41 2 38 44 1 39 42 1 40 43 1 41 47 1 41 50 1 45 52 1 46 53 1 47 48 1 48 52 1 49 51 1 49 54 1 50 54 1 51 52 1 51 53 1', 'C40H46O13', 734.428, 'C', 'np02_1848_7', 3106, '', '', '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
(12080, '', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@:3]34[CH2:2][C@:1]1([C:15]([CH3:16])([CH3:17])O)[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]1[C@@H:10](O[C:10001](=O)[c:10002]2[cH:10007][cH:10006][cH:10005][cH:10004][cH:10003]2)[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]3([CH3:19])[C@@H:7](O[C:7001]([CH3:7002])=O)[CH2:6][C@H:5](O)[C:4]4=[CH2:20]', '[H][C@]34C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](O)C4=C', '[H][C@:38]34[CH2:29][C@:63]1([C:76]([CH3:27])([CH3:25])O)[CH2:441][C@H:80](O[C:171]([CH3:21])=O)[C:148]([CH3:12])=[C:116]1[C@@H:70](O[C:164](=O)[c:129]2[cH:130][cH:129][cH:133][cH:129][cH:130]2)[C@H:71](O[C:170]([CH3:21])=O)[C@:45]3([CH3:13])[C@@H:70](O[C:170]([CH3:21])=O)[CH2:6][C@H:73](O)[C:150]4=[CH2:112]', '44 47 H 18.52 -13.42 C:20 19.76 -14.55 C:13002 10.07 -13.75 C:7002 20.99 -6.70 C:9002 17.90 -6.48 C:18 13.04 -10.85 C:16 15.84 -15.45 C:17 18.06 -14.38 C:19 18.52 -9.55 O 11.34 -11.74 O 22.23 -8.90 O 15.94 -7.99 O 13.36 -10.15 O 22.23 -13.12 O 17.24 -15.55 C:10005 11.77 -5.57 C:10006 11.12 -6.81 C:10004 13.17 -5.57 C:10007 11.86 -7.99 C:10003 13.91 -6.70 C:6 20.99 -10.97 C:14 15.01 -13.91 C:2 17.40 -13.29 O 12.50 -13.91 O 19.76 -8.90 O 18.16 -8.90 O 15.40 -9.15 C:13001 11.34 -13.12 C:7001 20.99 -8.16 C:9001 17.32 -7.76 C:4 19.76 -13.12 C:12 14.02 -11.89 C:10001 14.02 -9.15 C:11 15.40 -11.74 C:10002 13.26 -7.99 C:5 20.99 -12.40 C:13 13.76 -13.29 C:7 19.76 -10.26 C:10 16.02 -10.40 C:9 17.40 -10.09 C:15 16.63 -14.28 C:3 18.52 -12.40 C:8 18.52 -10.97 C:1 16.02 -12.97 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 32 1 7 41 1 8 41 1 43 9 -1 10 28 2 11 29 2 12 30 2 13 33 2 36 14 -2 15 41 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 21 36 1 21 38 1 22 37 1 22 44 1 23 42 1 23 44 1 24 28 1 37 24 -2 25 29 1 38 25 -1 26 30 1 40 26 -2 27 33 1 39 27 -1 31 36 1 31 42 1 32 34 2 32 37 1 33 35 1 34 39 1 34 44 1 38 43 1 39 40 1 40 43 1 44 41 -1 42 43 1', '44 47 H 18.52 -13.42 C 19.76 -14.55 C 10.07 -13.75 C 20.99 -6.70 C 17.90 -6.48 C 13.04 -10.85 C 15.84 -15.45 C 18.06 -14.38 C 18.52 -9.55 O 11.34 -11.74 O 22.23 -8.90 O 15.94 -7.99 O 13.36 -10.15 O 22.23 -13.12 O 17.24 -15.55 C 11.77 -5.57 C 11.12 -6.81 C 13.17 -5.57 C 11.86 -7.99 C 13.91 -6.70 C 20.99 -10.97 C 15.01 -13.91 C 17.40 -13.29 O 12.50 -13.91 O 19.76 -8.90 O 18.16 -8.90 O 15.40 -9.15 C 11.34 -13.12 C 20.99 -8.16 C 17.32 -7.76 C 19.76 -13.12 C 14.02 -11.89 C 14.02 -9.15 C 15.40 -11.74 C 13.26 -7.99 C 20.99 -12.40 C 13.76 -13.29 C 19.76 -10.26 C 16.02 -10.40 C 17.40 -10.09 C 16.63 -14.28 C 18.52 -12.40 C 18.52 -10.97 C 16.02 -12.97 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 32 1 7 41 1 8 41 1 43 9 -1 10 28 2 11 29 2 12 30 2 13 33 2 36 14 -2 15 41 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 21 36 1 21 38 1 22 37 1 22 44 1 23 42 1 23 44 1 24 28 1 37 24 -2 25 29 1 38 25 -1 26 30 1 40 26 -2 27 33 1 39 27 -1 31 36 1 31 42 1 32 34 2 32 37 1 33 35 1 34 39 1 34 44 1 38 43 1 39 40 1 40 43 1 44 41 -1 42 43 1', '44 47 H 18.52 -13.42 C:112 19.76 -14.55 C:21 10.07 -13.75 C:21 20.99 -6.70 C:21 17.90 -6.48 C:12 13.04 -10.85 C:27 15.84 -15.45 C:25 18.06 -14.38 C:13 18.52 -9.55 O 11.34 -11.74 O 22.23 -8.90 O 15.94 -7.99 O 13.36 -10.15 O 22.23 -13.12 O 17.24 -15.55 C:133 11.77 -5.57 C:129 11.12 -6.81 C:129 13.17 -5.57 C:130 11.86 -7.99 C:130 13.91 -6.70 C:6 20.99 -10.97 C:441 15.01 -13.91 C:29 17.40 -13.29 O 12.50 -13.91 O 19.76 -8.90 O 18.16 -8.90 O 15.40 -9.15 C:171 11.34 -13.12 C:170 20.99 -8.16 C:170 17.32 -7.76 C:150 19.76 -13.12 C:148 14.02 -11.89 C:164 14.02 -9.15 C:116 15.40 -11.74 C:129 13.26 -7.99 C:73 20.99 -12.40 C:80 13.76 -13.29 C:70 19.76 -10.26 C:70 16.02 -10.40 C:71 17.40 -10.09 C:76 16.63 -14.28 C:38 18.52 -12.40 C:45 18.52 -10.97 C:63 16.02 -12.97 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 32 1 7 41 1 8 41 1 43 9 -1 10 28 2 11 29 2 12 30 2 13 33 2 36 14 -2 15 41 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 21 36 1 21 38 1 22 37 1 22 44 1 23 42 1 23 44 1 24 28 1 37 24 -2 25 29 1 38 25 -1 26 30 1 40 26 -2 27 33 1 39 27 -1 31 36 1 31 42 1 32 34 2 32 37 1 33 35 1 34 39 1 34 44 1 38 43 1 39 40 1 40 43 1 44 41 -1 42 43 1', 'C33H42O10', 598.355, 'C', 'ph36_975_13', 3112, '', '', '1', 1, NULL, NULL),
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