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
(17304, 'phlegmariurol B', '', 'Terpenoids', 'Triterpenoids', 'Serratanes', '[H][C@:13]34[CH2:12][CH2:11][C@@:9]1([H])[C@@:8]([CH3:26])([CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:23])([CH2:24]O)[C@H:3](O)[CH2:2][CH2:1][C@:10]12[CH3:25])[CH2:27][C:14]3=[CH:15][CH2:16][C@@:17]5([H])[C@@:22]([CH3:30])([CH2:29]O)[C@@H:21](O)[CH2:20][CH2:19][C@:18]45[CH3:28]', '[H][C@]34CC[C@@]1([H])[C@@](C)(CC[C@@]2([H])[C@@](C)(CO)[C@H](O)CC[C@]12C)CC3=CC[C@@]5([H])[C@@](C)(CO)[C@@H](O)CC[C@]45C', '[H][C@:58]34[CH2:28][CH2:26][C@@:63]1([H])[C@@:37]([CH3:20])([CH2:46][CH2:20][C@@:50]2([H])[C@@:44]([CH3:23])([CH2:66]O)[C@H:70](O)[CH2:27][CH2:34][C@:39]12[CH3:14])[CH2:57][C:138]3=[CH:123][CH2:25][C@@:43]5([H])[C@@:43]([CH3:17])([CH2:67]O)[C@@H:73](O)[CH2:28][CH2:37][C@:36]45[CH3:12]', '38 42 H 17.76 -9.07 H 19.76 -7.95 H 16.16 -13.31 H 14.86 -15.54 C:26 17.42 -11.64 C:30 21.83 -6.20 C:23 14.44 -16.54 C:28 19.76 -9.93 C:25 14.86 -11.64 O 23.37 -8.01 O 13.01 -17.93 O 20.78 -4.93 O 11.14 -15.32 C:15 20.57 -11.10 C:29 22.01 -8.37 C:24 12.62 -16.59 C:16 21.19 -9.82 C:20 18.78 -6.30 C:2 12.33 -13.09 C:12 16.92 -9.93 C:7 17.42 -14.59 C:11 15.95 -10.98 C:6 16.16 -15.32 C:19 18.15 -7.58 C:1 13.58 -12.36 C:27 18.73 -12.56 C:14 19.14 -11.21 C:21 20.19 -6.20 C:3 12.33 -14.59 C:13 18.35 -10.03 C:8 17.42 -13.09 C:17 20.38 -8.65 C:9 16.16 -12.36 C:5 14.86 -14.59 C:22 21.00 -7.37 C:4 13.58 -15.32 C:18 18.96 -8.76 C:10 14.86 -13.09 30 1 -1 32 2 -1 33 3 -2 34 4 -2 31 5 -1 35 6 -1 36 7 -2 37 8 -2 38 9 -1 10 15 1 11 16 1 28 12 -2 29 13 -2 14 17 1 14 27 2 35 15 -2 36 16 -1 17 32 1 18 24 1 18 28 1 19 25 1 19 29 1 20 22 1 20 30 1 21 23 1 21 31 1 22 33 1 23 34 1 24 37 1 25 38 1 26 27 1 26 31 1 27 30 1 28 35 1 29 36 1 30 37 1 31 33 1 32 35 1 32 37 1 33 38 1 34 36 1 34 38 1', '38 42 H 17.76 -9.07 H 19.76 -7.95 H 16.16 -13.31 H 14.86 -15.54 C 17.42 -11.64 C 21.83 -6.20 C 14.44 -16.54 C 19.76 -9.93 C 14.86 -11.64 O 23.37 -8.01 O 13.01 -17.93 O 20.78 -4.93 O 11.14 -15.32 C 20.57 -11.10 C 22.01 -8.37 C 12.62 -16.59 C 21.19 -9.82 C 18.78 -6.30 C 12.33 -13.09 C 16.92 -9.93 C 17.42 -14.59 C 15.95 -10.98 C 16.16 -15.32 C 18.15 -7.58 C 13.58 -12.36 C 18.73 -12.56 C 19.14 -11.21 C 20.19 -6.20 C 12.33 -14.59 C 18.35 -10.03 C 17.42 -13.09 C 20.38 -8.65 C 16.16 -12.36 C 14.86 -14.59 C 21.00 -7.37 C 13.58 -15.32 C 18.96 -8.76 C 14.86 -13.09 30 1 -1 32 2 -1 33 3 -2 34 4 -2 31 5 -1 35 6 -1 36 7 -2 37 8 -2 38 9 -1 10 15 1 11 16 1 28 12 -2 29 13 -2 14 17 1 14 27 2 35 15 -2 36 16 -1 17 32 1 18 24 1 18 28 1 19 25 1 19 29 1 20 22 1 20 30 1 21 23 1 21 31 1 22 33 1 23 34 1 24 37 1 25 38 1 26 27 1 26 31 1 27 30 1 28 35 1 29 36 1 30 37 1 31 33 1 32 35 1 32 37 1 33 38 1 34 36 1 34 38 1', '38 42 H 17.76 -9.07 H 19.76 -7.95 H 16.16 -13.31 H 14.86 -15.54 C:20 17.42 -11.64 C:17 21.83 -6.20 C:23 14.44 -16.54 C:12 19.76 -9.93 C:14 14.86 -11.64 O 23.37 -8.01 O 13.01 -17.93 O 20.78 -4.93 O 11.14 -15.32 C:123 20.57 -11.10 C:67 22.01 -8.37 C:66 12.62 -16.59 C:25 21.19 -9.82 C:28 18.78 -6.30 C:27 12.33 -13.09 C:28 16.92 -9.93 C:46 17.42 -14.59 C:26 15.95 -10.98 C:20 16.16 -15.32 C:37 18.15 -7.58 C:34 13.58 -12.36 C:57 18.73 -12.56 C:138 19.14 -11.21 C:73 20.19 -6.20 C:70 12.33 -14.59 C:58 18.35 -10.03 C:37 17.42 -13.09 C:43 20.38 -8.65 C:63 16.16 -12.36 C:50 14.86 -14.59 C:43 21.00 -7.37 C:44 13.58 -15.32 C:36 18.96 -8.76 C:39 14.86 -13.09 30 1 -1 32 2 -1 33 3 -2 34 4 -2 31 5 -1 35 6 -1 36 7 -2 37 8 -2 38 9 -1 10 15 1 11 16 1 28 12 -2 29 13 -2 14 17 1 14 27 2 35 15 -2 36 16 -1 17 32 1 18 24 1 18 28 1 19 25 1 19 29 1 20 22 1 20 30 1 21 23 1 21 31 1 22 33 1 23 34 1 24 37 1 25 38 1 26 27 1 26 31 1 27 30 1 28 35 1 29 36 1 30 37 1 31 33 1 32 35 1 32 37 1 33 38 1 34 36 1 34 38 1', 'C30H50O4', 474.35, 'P', 'hca06_2975_3', 4327, '', '', '1', 47, NULL, NULL),
(17305, '(3β,8β,14α,21α)-26,27-Dinoronocerane-3,8,14,21-tetrol', '', 'Terpenoids', 'Triterpenoids', 'Onoceranes', '[H][C@:9]3([CH2:11][CH2:12][C@@:13]1([H])[C@@H:14](O)[CH2:15][CH2:16][C@@:17]2([H])[C@:22]([CH3:29])([CH3:30])[C@@H:21](O)[CH2:20][CH2:19][C@:18]12[CH3:28])[C@@H:8](O)[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:25]', '[H][C@]3(CC[C@@]1([H])[C@@H](O)CC[C@@]2([H])[C@](C)(C)[C@@H](O)CC[C@]12C)[C@@H](O)CC[C@@]4([H])[C@@](C)(C)[C@@H](O)CC[C@]34C', '[H][C@:55]3([CH2:23][CH2:23][C@@:55]1([H])[C@@H:66](O)[CH2:39][CH2:18][C@@:56]2([H])[C@:38]([CH3:17])([CH3:29])[C@@H:78](O)[CH2:29][CH2:37][C@:40]12[CH3:17])[C@@H:66](O)[CH2:39][CH2:18][C@@:56]4([H])[C@@:38]([CH3:29])([CH3:17])[C@@H:78](O)[CH2:29][CH2:37][C@:40]34[CH3:17]', '36 39 H 17.87 -14.15 H 19.12 -8.60 H 16.58 -16.41 H 17.87 -6.44 C:23 16.28 -17.33 C:24 14.36 -17.27 C:29 15.87 -5.52 C:30 17.47 -5.52 C:25 16.58 -12.43 C:28 17.87 -10.27 O 12.92 -16.05 O 14.27 -6.74 O 20.37 -13.13 O 21.63 -9.61 C:7 19.12 -15.33 C:15 20.37 -7.46 C:2 14.12 -13.87 C:20 15.47 -8.88 C:6 17.87 -16.05 C:16 19.12 -6.74 C:1 15.35 -13.13 C:19 16.68 -9.61 C:11 17.87 -11.69 C:12 19.12 -11.00 C:3 14.12 -15.33 C:21 15.47 -7.46 C:8 19.12 -13.87 C:14 20.37 -8.88 C:4 15.35 -16.05 C:22 16.68 -6.74 C:9 17.87 -13.13 C:13 19.12 -9.61 C:5 16.58 -15.33 C:17 17.87 -7.46 C:10 16.58 -13.87 C:18 17.87 -8.88 31 1 -2 32 2 -1 33 3 -2 34 4 -1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 35 9 -1 36 10 -2 25 11 -1 26 12 -2 27 13 -1 28 14 -2 15 19 1 15 27 1 16 20 1 16 28 1 17 21 1 17 25 1 18 22 1 18 26 1 19 33 1 20 34 1 21 35 1 22 36 1 23 24 1 23 31 1 24 32 1 25 29 1 26 30 1 27 31 1 28 32 1 29 33 1 30 34 1 31 35 1 32 36 1 33 35 1 34 36 1', '36 39 H 17.87 -14.15 H 19.12 -8.60 H 16.58 -16.41 H 17.87 -6.44 C 16.28 -17.33 C 14.36 -17.27 C 15.87 -5.52 C 17.47 -5.52 C 16.58 -12.43 C 17.87 -10.27 O 12.92 -16.05 O 14.27 -6.74 O 20.37 -13.13 O 21.63 -9.61 C 19.12 -15.33 C 20.37 -7.46 C 14.12 -13.87 C 15.47 -8.88 C 17.87 -16.05 C 19.12 -6.74 C 15.35 -13.13 C 16.68 -9.61 C 17.87 -11.69 C 19.12 -11.00 C 14.12 -15.33 C 15.47 -7.46 C 19.12 -13.87 C 20.37 -8.88 C 15.35 -16.05 C 16.68 -6.74 C 17.87 -13.13 C 19.12 -9.61 C 16.58 -15.33 C 17.87 -7.46 C 16.58 -13.87 C 17.87 -8.88 31 1 -2 32 2 -1 33 3 -2 34 4 -1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 35 9 -1 36 10 -2 25 11 -1 26 12 -2 27 13 -1 28 14 -2 15 19 1 15 27 1 16 20 1 16 28 1 17 21 1 17 25 1 18 22 1 18 26 1 19 33 1 20 34 1 21 35 1 22 36 1 23 24 1 23 31 1 24 32 1 25 29 1 26 30 1 27 31 1 28 32 1 29 33 1 30 34 1 31 35 1 32 36 1 33 35 1 34 36 1', '36 39 H 17.87 -14.15 H 19.12 -8.60 H 16.58 -16.41 H 17.87 -6.44 C:29 16.28 -17.33 C:17 14.36 -17.27 C:17 15.87 -5.52 C:29 17.47 -5.52 C:17 16.58 -12.43 C:17 17.87 -10.27 O 12.92 -16.05 O 14.27 -6.74 O 20.37 -13.13 O 21.63 -9.61 C:39 19.12 -15.33 C:39 20.37 -7.46 C:29 14.12 -13.87 C:29 15.47 -8.88 C:18 17.87 -16.05 C:18 19.12 -6.74 C:37 15.35 -13.13 C:37 16.68 -9.61 C:23 17.87 -11.69 C:23 19.12 -11.00 C:78 14.12 -15.33 C:78 15.47 -7.46 C:66 19.12 -13.87 C:66 20.37 -8.88 C:38 15.35 -16.05 C:38 16.68 -6.74 C:55 17.87 -13.13 C:55 19.12 -9.61 C:56 16.58 -15.33 C:56 17.87 -7.46 C:40 16.58 -13.87 C:40 17.87 -8.88 31 1 -2 32 2 -1 33 3 -2 34 4 -1 29 5 -2 29 6 -1 30 7 -2 30 8 -1 35 9 -1 36 10 -2 25 11 -1 26 12 -2 27 13 -1 28 14 -2 15 19 1 15 27 1 16 20 1 16 28 1 17 21 1 17 25 1 18 22 1 18 26 1 19 33 1 20 34 1 21 35 1 22 36 1 23 24 1 23 31 1 24 32 1 25 29 1 26 30 1 27 31 1 28 32 1 29 33 1 30 34 1 31 35 1 32 36 1 33 35 1 34 36 1', 'C28H50O4', 450.329, 'P', 'hca05_240_1', 3181, '', '', '1', 47, NULL, NULL),
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(17319, 'Odoratisol A', '', 'Lignans', 'Neolignans', 'Benzofurans', '[CH3:109][CH:108]=[CH:107][c:101]3[cH:106][c:105](O[CH3:105001])[c:104]2O[C@H:7]([c:1]1[cH:2][c:3](O[CH3:3001])[c:4](O)[c:5](O[CH3:5001])[cH:6]1)[C@@H:8]([CH3:9])[c:103]2[cH:102]3', 'CC=Cc3cc(OC)c2O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)c2c3', '[CH3:18][CH:124]=[CH:131][c:132]3[cH:110][c:144](O[CH3:56])[c:147]2O[C@H:94]([c:133]1[cH:104][c:147](O[CH3:56])[c:135](O)[c:147](O[CH3:56])[cH:104]1)[C@@H:46]([CH3:18])[c:136]2[cH:113]3', '26 28 C:109 23.56 -7.81 C:3001 13.05 -15.04 C:5001 13.05 -7.77 C:105001 21.16 -14.77 C:9 16.88 -8.88 O 10.94 -11.41 C:108 22.35 -8.52 C:107 22.35 -9.90 C:106 21.11 -12.00 C:102 19.94 -9.90 C:2 14.46 -12.62 C:6 14.46 -10.20 O 12.35 -13.83 O 12.35 -8.99 O 19.94 -14.09 O 17.38 -12.47 C:101 21.11 -10.59 C:4 12.35 -11.41 C:1 15.13 -11.35 C:3 13.05 -12.62 C:5 13.05 -10.20 C:105 19.94 -12.69 C:103 18.71 -10.59 C:104 18.71 -12.00 C:8 17.38 -10.20 C:7 16.52 -11.35 1 7 1 2 13 1 3 14 1 4 15 1 25 5 -1 6 18 1 7 8 2 8 17 1 9 17 1 9 22 2 10 17 2 10 23 1 11 19 1 11 20 2 12 19 2 12 21 1 13 20 1 14 21 1 15 22 1 16 24 1 16 26 1 18 20 1 18 21 2 26 19 -2 22 24 1 23 24 2 23 25 1 25 26 1', '26 28 C 23.56 -7.81 C 13.05 -15.04 C 13.05 -7.77 C 21.16 -14.77 C 16.88 -8.88 O 10.94 -11.41 C 22.35 -8.52 C 22.35 -9.90 C 21.11 -12.00 C 19.94 -9.90 C 14.46 -12.62 C 14.46 -10.20 O 12.35 -13.83 O 12.35 -8.99 O 19.94 -14.09 O 17.38 -12.47 C 21.11 -10.59 C 12.35 -11.41 C 15.13 -11.35 C 13.05 -12.62 C 13.05 -10.20 C 19.94 -12.69 C 18.71 -10.59 C 18.71 -12.00 C 17.38 -10.20 C 16.52 -11.35 1 7 1 2 13 1 3 14 1 4 15 1 25 5 -1 6 18 1 7 8 2 8 17 1 9 17 1 9 22 2 10 17 2 10 23 1 11 19 1 11 20 2 12 19 2 12 21 1 13 20 1 14 21 1 15 22 1 16 24 1 16 26 1 18 20 1 18 21 2 26 19 -2 22 24 1 23 24 2 23 25 1 25 26 1', '26 28 C:18 23.56 -7.81 C:56 13.05 -15.04 C:56 13.05 -7.77 C:56 21.16 -14.77 C:18 16.88 -8.88 O 10.94 -11.41 C:124 22.35 -8.52 C:131 22.35 -9.90 C:110 21.11 -12.00 C:113 19.94 -9.90 C:104 14.46 -12.62 C:104 14.46 -10.20 O 12.35 -13.83 O 12.35 -8.99 O 19.94 -14.09 O 17.38 -12.47 C:132 21.11 -10.59 C:135 12.35 -11.41 C:133 15.13 -11.35 C:147 13.05 -12.62 C:147 13.05 -10.20 C:144 19.94 -12.69 C:136 18.71 -10.59 C:147 18.71 -12.00 C:46 17.38 -10.20 C:94 16.52 -11.35 1 7 1 2 13 1 3 14 1 4 15 1 25 5 -1 6 18 1 7 8 2 8 17 1 9 17 1 9 22 2 10 17 2 10 23 1 11 19 1 11 20 2 12 19 2 12 21 1 13 20 1 14 21 1 15 22 1 16 24 1 16 26 1 18 20 1 18 21 2 26 19 -2 22 24 1 23 24 2 23 25 1 25 26 1', 'C21H24O5', 356.222, 'C', 'cpb06_380_1', 4333, '', '', '1', 47, NULL, NULL),
(17320, 'Odoratisol B', '', 'Lignans', 'Neolignans', 'Oxyneolignans', '[CH3:109][CH:108]=[CH:107][c:101]2[cH:106][cH:105][c:104](O[C@H:8]([CH3:9])[C@H:7](O)[c:1]1[cH:6][cH:5][c:4](O)[c:3](O[CH3:3001])[cH:2]1)[c:103](O[CH3:103001])[cH:102]2', 'CC=Cc2ccc(O[C@H](C)[C@H](O)c1ccc(O)c(OC)c1)c(OC)c2', '[CH3:19][CH:125]=[CH:131][c:132]2[cH:119][cH:110][c:152](O[C@H:74]([CH3:13])[C@H:82](O)[c:134]1[cH:120][cH:114][c:145](O)[c:147](O[CH3:56])[cH:109]1)[c:146](O[CH3:56])[cH:119]2', '25 26 C:109 20.31 -17.73 C:3001 15.45 -5.09 C:103001 22.73 -12.13 C:9 17.90 -7.92 O 11.82 -7.22 O 16.71 -11.43 C:108 20.31 -16.33 C:107 19.10 -15.63 C:106 17.90 -13.53 C:5 13.03 -9.33 C:6 14.25 -10.03 C:105 17.90 -12.13 C:102 20.31 -13.53 C:2 15.45 -7.92 O 14.25 -5.82 O 21.52 -11.43 O 19.10 -10.03 C:101 19.10 -14.23 C:4 13.03 -7.92 C:1 15.45 -9.33 C:3 14.25 -7.22 C:104 19.10 -11.43 C:103 20.31 -12.13 C:8 17.90 -9.33 C:7 16.71 -10.03 1 7 1 2 15 1 3 16 1 24 4 -1 5 19 1 25 6 -2 7 8 2 8 18 1 9 12 2 9 18 1 10 11 1 10 19 2 11 20 2 12 22 1 13 18 2 13 23 1 14 20 1 14 21 2 15 21 1 16 23 1 17 22 1 17 24 1 19 21 1 20 25 1 22 23 2 24 25 1', '25 26 C 20.31 -17.73 C 15.45 -5.09 C 22.73 -12.13 C 17.90 -7.92 O 11.82 -7.22 O 16.71 -11.43 C 20.31 -16.33 C 19.10 -15.63 C 17.90 -13.53 C 13.03 -9.33 C 14.25 -10.03 C 17.90 -12.13 C 20.31 -13.53 C 15.45 -7.92 O 14.25 -5.82 O 21.52 -11.43 O 19.10 -10.03 C 19.10 -14.23 C 13.03 -7.92 C 15.45 -9.33 C 14.25 -7.22 C 19.10 -11.43 C 20.31 -12.13 C 17.90 -9.33 C 16.71 -10.03 1 7 1 2 15 1 3 16 1 24 4 -1 5 19 1 25 6 -2 7 8 2 8 18 1 9 12 2 9 18 1 10 11 1 10 19 2 11 20 2 12 22 1 13 18 2 13 23 1 14 20 1 14 21 2 15 21 1 16 23 1 17 22 1 17 24 1 19 21 1 20 25 1 22 23 2 24 25 1', '25 26 C:19 20.31 -17.73 C:56 15.45 -5.09 C:56 22.73 -12.13 C:13 17.90 -7.92 O 11.82 -7.22 O 16.71 -11.43 C:125 20.31 -16.33 C:131 19.10 -15.63 C:119 17.90 -13.53 C:114 13.03 -9.33 C:120 14.25 -10.03 C:110 17.90 -12.13 C:119 20.31 -13.53 C:109 15.45 -7.92 O 14.25 -5.82 O 21.52 -11.43 O 19.10 -10.03 C:132 19.10 -14.23 C:145 13.03 -7.92 C:134 15.45 -9.33 C:147 14.25 -7.22 C:152 19.10 -11.43 C:146 20.31 -12.13 C:74 17.90 -9.33 C:82 16.71 -10.03 1 7 1 2 15 1 3 16 1 24 4 -1 5 19 1 25 6 -2 7 8 2 8 18 1 9 12 2 9 18 1 10 11 1 10 19 2 11 20 2 12 22 1 13 18 2 13 23 1 14 20 1 14 21 2 15 21 1 16 23 1 17 22 1 17 24 1 19 21 1 20 25 1 22 23 2 24 25 1', 'C20H24O5', 344.211, 'C', 'cpb06_380_2', 4333, '', '', '1', 47, 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
(17321, 'Odoratisol C', '', 'Lignans', 'Lignans', '7-7-Monoepoxylignans', '[CH3:103001]O[c:103]3[cH:102][c:101]([C@H:107]2O[C@@H:7]([c:1]1[cH:6][cH:5][c:4](O)[c:3](O[CH3:3001])[cH:2]1)[C@H:8]([CH3:9])[C@H:108]2[CH3:109])[cH:106][cH:105][c:104]3O', 'COc3cc([C@H]2O[C@@H](c1ccc(O)c(OC)c1)[C@H](C)[C@H]2C)ccc3O', '[CH3:56]O[c:146]3[cH:110][c:133]([C@H:83]2O[C@@H:87]([c:133]1[cH:119][cH:114][c:145](O)[c:147](O[CH3:56])[cH:110]1)[C@H:48]([CH3:15])[C@H:46]2[CH3:15])[cH:120][cH:114][c:145]3O', '25 27 C:103001 20.54 -17.47 C:3001 15.90 -4.59 C:109 13.92 -13.19 C:9 13.92 -10.40 O 18.22 -18.23 O 18.22 -5.35 C:105 16.41 -16.61 C:5 18.72 -7.72 C:106 15.98 -15.29 C:6 18.28 -9.05 C:102 18.28 -14.54 C:2 15.98 -8.30 O 20.09 -16.14 O 15.47 -5.94 O 17.30 -11.80 C:104 17.79 -16.90 C:4 17.79 -6.69 C:101 16.92 -14.25 C:1 16.92 -9.34 C:103 18.72 -15.86 C:3 16.41 -6.98 C:108 15.14 -12.50 C:8 15.14 -11.10 C:107 16.48 -12.92 C:7 16.48 -10.67 1 13 1 2 14 1 22 3 -2 23 4 -1 5 16 1 6 17 1 7 9 2 7 16 1 8 10 1 8 17 2 9 18 1 10 19 2 11 18 2 11 20 1 12 19 1 12 21 2 13 20 1 14 21 1 15 24 1 15 25 1 16 20 2 17 21 1 24 18 -2 25 19 -2 22 23 1 22 24 1 23 25 1', '25 27 C 20.54 -17.47 C 15.90 -4.59 C 13.92 -13.19 C 13.92 -10.40 O 18.22 -18.23 O 18.22 -5.35 C 16.41 -16.61 C 18.72 -7.72 C 15.98 -15.29 C 18.28 -9.05 C 18.28 -14.54 C 15.98 -8.30 O 20.09 -16.14 O 15.47 -5.94 O 17.30 -11.80 C 17.79 -16.90 C 17.79 -6.69 C 16.92 -14.25 C 16.92 -9.34 C 18.72 -15.86 C 16.41 -6.98 C 15.14 -12.50 C 15.14 -11.10 C 16.48 -12.92 C 16.48 -10.67 1 13 1 2 14 1 22 3 -2 23 4 -1 5 16 1 6 17 1 7 9 2 7 16 1 8 10 1 8 17 2 9 18 1 10 19 2 11 18 2 11 20 1 12 19 1 12 21 2 13 20 1 14 21 1 15 24 1 15 25 1 16 20 2 17 21 1 24 18 -2 25 19 -2 22 23 1 22 24 1 23 25 1', '25 27 C:56 20.54 -17.47 C:56 15.90 -4.59 C:15 13.92 -13.19 C:15 13.92 -10.40 O 18.22 -18.23 O 18.22 -5.35 C:114 16.41 -16.61 C:114 18.72 -7.72 C:120 15.98 -15.29 C:119 18.28 -9.05 C:110 18.28 -14.54 C:110 15.98 -8.30 O 20.09 -16.14 O 15.47 -5.94 O 17.30 -11.80 C:145 17.79 -16.90 C:145 17.79 -6.69 C:133 16.92 -14.25 C:133 16.92 -9.34 C:146 18.72 -15.86 C:147 16.41 -6.98 C:46 15.14 -12.50 C:48 15.14 -11.10 C:83 16.48 -12.92 C:87 16.48 -10.67 1 13 1 2 14 1 22 3 -2 23 4 -1 5 16 1 6 17 1 7 9 2 7 16 1 8 10 1 8 17 2 9 18 1 10 19 2 11 18 2 11 20 1 12 19 1 12 21 2 13 20 1 14 21 1 15 24 1 15 25 1 16 20 2 17 21 1 24 18 -2 25 19 -2 22 23 1 22 24 1 23 25 1', 'C20H24O5', 344.211, 'C', 'cpb06_380_3', 4333, '', '', '1', 47, NULL, NULL),
(17322, 'Odoratisol D', '', 'Lignans', 'Lignans', '7-7-Monoepoxylignans', '[CH3:3001]O[c:3]4[cH:2][c:1]([C@@H:7]3O[C@H:107]([c:101]2[cH:106][cH:105][c:104]1O[CH2:103001]O[c:103]1[cH:102]2)[C@H:108]([CH3:109])[C@H:8]3[CH3:9])[cH:6][cH:5][c:4]4O', 'COc4cc([C@@H]3O[C@H](c2ccc1OCOc1c2)[C@H](C)[C@H]3C)ccc4O', '[CH3:56]O[c:147]4[cH:109][c:133]([C@@H:83]3O[C@H:88]([c:135]2[cH:108][cH:108][c:147]1O[CH2:101]O[c:147]1[cH:120]2)[C@H:46]([CH3:15])[C@H:48]3[CH3:15])[cH:120][cH:114][c:145]4O', '25 28 C:3001 16.21 -4.69 C:9 14.23 -10.49 C:109 14.23 -13.28 O 18.54 -5.45 C:5 19.04 -7.82 C:6 18.60 -9.15 C:106 16.29 -15.38 C:105 16.72 -16.70 C:2 16.29 -8.40 C:102 18.60 -14.63 C:103001 20.18 -17.90 O 15.78 -6.04 O 18.81 -18.20 O 20.32 -16.52 O 17.62 -11.89 C:4 18.11 -6.79 C:1 17.23 -9.43 C:101 17.23 -14.34 C:104 18.11 -16.99 C:3 16.72 -7.08 C:103 19.04 -15.95 C:8 15.45 -11.19 C:108 15.45 -12.59 C:7 16.79 -10.76 C:107 16.79 -13.01 1 12 1 22 2 -1 23 3 -2 4 16 1 5 6 1 5 16 2 6 17 2 7 8 2 7 18 1 8 19 1 9 17 1 9 20 2 10 18 2 10 21 1 11 13 1 11 14 1 12 20 1 13 19 1 14 21 1 15 24 1 15 25 1 16 20 1 24 17 -2 25 18 -2 19 21 2 22 23 1 22 24 1 23 25 1', '25 28 C 16.21 -4.69 C 14.23 -10.49 C 14.23 -13.28 O 18.54 -5.45 C 19.04 -7.82 C 18.60 -9.15 C 16.29 -15.38 C 16.72 -16.70 C 16.29 -8.40 C 18.60 -14.63 C 20.18 -17.90 O 15.78 -6.04 O 18.81 -18.20 O 20.32 -16.52 O 17.62 -11.89 C 18.11 -6.79 C 17.23 -9.43 C 17.23 -14.34 C 18.11 -16.99 C 16.72 -7.08 C 19.04 -15.95 C 15.45 -11.19 C 15.45 -12.59 C 16.79 -10.76 C 16.79 -13.01 1 12 1 22 2 -1 23 3 -2 4 16 1 5 6 1 5 16 2 6 17 2 7 8 2 7 18 1 8 19 1 9 17 1 9 20 2 10 18 2 10 21 1 11 13 1 11 14 1 12 20 1 13 19 1 14 21 1 15 24 1 15 25 1 16 20 1 24 17 -2 25 18 -2 19 21 2 22 23 1 22 24 1 23 25 1', '25 28 C:56 16.21 -4.69 C:15 14.23 -10.49 C:15 14.23 -13.28 O 18.54 -5.45 C:114 19.04 -7.82 C:120 18.60 -9.15 C:108 16.29 -15.38 C:108 16.72 -16.70 C:109 16.29 -8.40 C:120 18.60 -14.63 C:101 20.18 -17.90 O 15.78 -6.04 O 18.81 -18.20 O 20.32 -16.52 O 17.62 -11.89 C:145 18.11 -6.79 C:133 17.23 -9.43 C:135 17.23 -14.34 C:147 18.11 -16.99 C:147 16.72 -7.08 C:147 19.04 -15.95 C:48 15.45 -11.19 C:46 15.45 -12.59 C:83 16.79 -10.76 C:88 16.79 -13.01 1 12 1 22 2 -1 23 3 -2 4 16 1 5 6 1 5 16 2 6 17 2 7 8 2 7 18 1 8 19 1 9 17 1 9 20 2 10 18 2 10 21 1 11 13 1 11 14 1 12 20 1 13 19 1 14 21 1 15 24 1 15 25 1 16 20 1 24 17 -2 25 18 -2 19 21 2 22 23 1 22 24 1 23 25 1', 'C20H22O5', 342.211, 'C', 'cpb06_380_4', 4333, '', '', '1', 47, 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
(17349, '(-)-Lariciresinol 4''-(4'''',6''''-Di-O-feruloyl-β-D-glucopyranoside)', '2-Methoxy-4-{[(3R,4R,5S)-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)furan-3-yl]methyl}phenyl β-D-Glucopyranoside4,6-Bis[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate', 'Lignans', 'Lignans', '7-9-Monoepoxylignans', '[H][C@:8]6([CH2:7][c:1]4[cH:6][cH:5][c:4](O[C@@H:201]3O[C@H:205]([CH2:206]O[C:309](=O)[CH:308]=[CH:307][c:301]1[cH:306][cH:305][c:304](O)[c:303](O[CH3:303001])[cH:302]1)[C@@H:204](O[C:409](=O)[CH:408]=[CH:407][c:401]2[cH:406][cH:405][c:404](O)[c:403](O[CH3:403001])[cH:402]2)[C@H:203](O)[C@H:202]3O)[c:3](O[CH3:3001])[cH:2]4)[CH2:9]O[C@H:107]([c:101]5[cH:106][cH:105][c:104](O)[c:103](O[CH3:103001])[cH:102]5)[C@@:108]6([H])[CH2:109]O', '[H][C@]6(Cc4ccc(O[C@@H]3O[C@H](COC(=O)C=Cc1ccc(O)c(OC)c1)[C@@H](OC(=O)C=Cc2ccc(O)c(OC)c2)[C@H](O)[C@H]3O)c(OC)c4)CO[C@H](c5ccc(O)c(OC)c5)[C@@]6([H])CO', '[H][C@:43]6([CH2:34][c:133]4[cH:122][cH:116][c:145](O[C@@H:103]3O[C@H:73]([CH2:64]O[C:168](=O)[CH:116]=[CH:148][c:127]1[cH:124][cH:116][c:150](O)[c:149](O[CH3:56])[cH:111]1)[C@@H:73](O[C:168](=O)[CH:116]=[CH:147][c:127]2[cH:124][cH:116][c:150](O)[c:149](O[CH3:56])[cH:111]2)[C@H:75](O)[C@H:74]3O)[c:148](O[CH3:57])[cH:111]4)[CH2:74]O[C@H:83]([c:139]5[cH:119][cH:118][c:146](O)[c:151](O[CH3:57])[cH:113]5)[C@@:54]6([H])[CH2:60]O', '65 70 H 24.18 -12.32 H 24.18 -15.81 C:303001 14.36 -2.17 C:403001 8.34 -8.57 C:103001 29.75 -19.88 C:3001 18.02 -11.25 O 18.02 -8.48 O 11.98 -14.81 O 22.93 -16.93 O 10.77 -4.29 O 4.70 -10.69 O 27.35 -20.66 O 15.60 -16.89 O 13.19 -15.51 C:308 15.60 -8.48 C:408 10.77 -12.72 C:307 15.60 -7.09 C:407 9.56 -13.44 C:306 13.19 -7.09 C:406 7.14 -13.47 C:305 11.98 -6.39 C:405 5.92 -12.79 C:105 25.50 -18.99 C:6 21.69 -14.79 C:106 25.06 -17.64 C:5 20.48 -15.51 C:302 14.39 -4.99 C:402 8.34 -11.36 C:2 20.48 -12.65 C:102 27.42 -16.89 C:109 22.93 -15.51 C:206 15.60 -11.28 C:9 25.57 -12.91 C:7 22.93 -12.65 O 13.19 -2.89 O 7.10 -9.27 O 29.29 -18.51 O 18.02 -12.65 O 16.81 -10.58 O 26.40 -14.08 O 13.19 -12.70 O 18.02 -15.51 O 16.81 -13.41 C:309 16.81 -9.18 C:409 11.98 -13.41 C:301 14.39 -6.39 C:401 8.34 -12.76 C:304 11.98 -4.99 C:404 5.92 -11.39 C:104 26.91 -19.29 C:1 21.69 -13.35 C:101 26.02 -16.60 C:303 13.19 -4.29 C:403 7.10 -10.69 C:103 27.86 -18.22 C:3 19.24 -13.35 C:4 19.24 -14.79 C:202 15.60 -15.51 C:203 14.39 -14.81 C:205 15.60 -12.70 C:201 16.81 -14.79 C:204 14.39 -13.41 C:107 25.57 -15.23 C:8 24.18 -13.35 C:108 24.18 -14.79 64 1 -2 65 2 -2 3 35 1 4 36 1 5 37 1 6 38 1 7 44 2 8 45 2 9 31 1 10 48 1 11 49 1 12 50 1 58 13 -2 59 14 -1 15 17 2 15 44 1 16 18 2 16 45 1 17 46 1 18 47 1 19 21 2 19 46 1 20 22 2 20 47 1 21 48 1 22 49 1 23 25 2 23 50 1 24 26 2 24 51 1 25 52 1 26 57 1 27 46 2 27 53 1 28 47 2 28 54 1 29 51 2 29 56 1 30 52 2 30 55 1 31 65 1 32 39 1 60 32 -1 33 40 1 33 64 1 34 51 1 34 64 1 35 53 1 36 54 1 37 55 1 38 56 1 39 44 1 40 63 1 41 45 1 62 41 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15.60 -12.70 C 16.81 -14.79 C 14.39 -13.41 C 25.57 -15.23 C 24.18 -13.35 C 24.18 -14.79 64 1 -2 65 2 -2 3 35 1 4 36 1 5 37 1 6 38 1 7 44 2 8 45 2 9 31 1 10 48 1 11 49 1 12 50 1 58 13 -2 59 14 -1 15 17 2 15 44 1 16 18 2 16 45 1 17 46 1 18 47 1 19 21 2 19 46 1 20 22 2 20 47 1 21 48 1 22 49 1 23 25 2 23 50 1 24 26 2 24 51 1 25 52 1 26 57 1 27 46 2 27 53 1 28 47 2 28 54 1 29 51 2 29 56 1 30 52 2 30 55 1 31 65 1 32 39 1 60 32 -1 33 40 1 33 64 1 34 51 1 34 64 1 35 53 1 36 54 1 37 55 1 38 56 1 39 44 1 40 63 1 41 45 1 62 41 -2 42 57 1 61 42 -1 43 60 1 43 61 1 48 53 2 49 54 2 50 55 2 63 52 -2 56 57 2 58 59 1 58 61 1 59 62 1 60 62 1 63 65 1 64 65 1', '65 70 H 24.18 -12.32 H 24.18 -15.81 C:56 14.36 -2.17 C:56 8.34 -8.57 C:57 29.75 -19.88 C:57 18.02 -11.25 O 18.02 -8.48 O 11.98 -14.81 O 22.93 -16.93 O 10.77 -4.29 O 4.70 -10.69 O 27.35 -20.66 O 15.60 -16.89 O 13.19 -15.51 C:116 15.60 -8.48 C:116 10.77 -12.72 C:148 15.60 -7.09 C:147 9.56 -13.44 C:124 13.19 -7.09 C:124 7.14 -13.47 C:116 11.98 -6.39 C:116 5.92 -12.79 C:118 25.50 -18.99 C:122 21.69 -14.79 C:119 25.06 -17.64 C:116 20.48 -15.51 C:111 14.39 -4.99 C:111 8.34 -11.36 C:111 20.48 -12.65 C:113 27.42 -16.89 C:60 22.93 -15.51 C:64 15.60 -11.28 C:74 25.57 -12.91 C:34 22.93 -12.65 O 13.19 -2.89 O 7.10 -9.27 O 29.29 -18.51 O 18.02 -12.65 O 16.81 -10.58 O 26.40 -14.08 O 13.19 -12.70 O 18.02 -15.51 O 16.81 -13.41 C:168 16.81 -9.18 C:168 11.98 -13.41 C:127 14.39 -6.39 C:127 8.34 -12.76 C:150 11.98 -4.99 C:150 5.92 -11.39 C:146 26.91 -19.29 C:133 21.69 -13.35 C:139 26.02 -16.60 C:149 13.19 -4.29 C:149 7.10 -10.69 C:151 27.86 -18.22 C:148 19.24 -13.35 C:145 19.24 -14.79 C:74 15.60 -15.51 C:75 14.39 -14.81 C:73 15.60 -12.70 C:103 16.81 -14.79 C:73 14.39 -13.41 C:83 25.57 -15.23 C:43 24.18 -13.35 C:54 24.18 -14.79 64 1 -2 65 2 -2 3 35 1 4 36 1 5 37 1 6 38 1 7 44 2 8 45 2 9 31 1 10 48 1 11 49 1 12 50 1 58 13 -2 59 14 -1 15 17 2 15 44 1 16 18 2 16 45 1 17 46 1 18 47 1 19 21 2 19 46 1 20 22 2 20 47 1 21 48 1 22 49 1 23 25 2 23 50 1 24 26 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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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(17373, 'Ajugacetalsterone C', '', 'Steroids', 'Stigmastanes', '', '[H][C@:9]45[CH2:11][CH2:12][C@:13]3([CH3:18])[C@@:17]([H])([C@@:20]1([CH3:21])O[C@H:26]2O[C@H:22]1[CH2:23][C:24]([CH:24001]([CH3:24002])O)=[C:25]2[CH3:27])[CH2:16][CH2:15][C@@:14]3(O)[C:8]4=[CH:7][C:6](=O)[C@:5]6([H])[CH2:4][C@@H:3](O)[C@@H:2](O)[CH2:1][C@:10]56[CH3:19]', '[H][C@]45CC[C@]3(C)[C@@]([H])([C@@]1(C)O[C@H]2O[C@H]1CC(C(C)O)=C2C)CC[C@@]3(O)C4=CC(=O)[C@]6([H])C[C@@H](O)[C@@H](O)C[C@]56C', '[H][C@:34]45[CH2:22][CH2:31][C@:47]3([CH3:16])[C@@:55]([H])([C@@:85]1([CH3:23])O[C@H:101]2O[C@H:80]1[CH2:26][C:132]([CH:64]([CH3:21])O)=[C:130]2[CH3:15])[CH2:22][CH2:31][C@@:84]3(O)[C:166]4=[CH:121][C:204](=O)[C@:51]6([H])[CH2:32][C@@H:68](O)[C@@H:68](O)[CH2:38][C@:38]56[CH3:24]', '39 44 H 15.20 -14.33 H 13.92 -16.59 H 18.89 -12.37 C:27 20.53 -5.65 C:24002 22.59 -5.28 C:18 17.74 -10.43 C:19 13.92 -12.57 C:21 18.11 -9.77 O 15.20 -17.60 O 24.27 -7.04 O 10.25 -16.24 O 10.25 -13.31 O 17.74 -14.67 C:7 16.44 -15.50 C:11 15.20 -11.84 C:16 19.89 -12.57 C:12 16.44 -11.09 C:15 19.05 -13.69 C:23 22.13 -9.17 C:4 12.68 -16.20 C:1 12.68 -13.28 O 20.80 -8.24 O 18.67 -8.93 C:25 20.65 -7.04 C:6 15.20 -16.20 C:24 21.93 -7.61 C:8 16.44 -14.02 C:24001 22.92 -6.63 C:3 11.41 -15.50 C:2 11.41 -14.02 C:26 19.49 -7.82 C:22 20.80 -9.60 C:9 15.20 -13.28 C:5 13.92 -15.50 C:17 19.05 -11.38 C:13 17.74 -11.84 C:10 13.92 -14.02 C:20 19.49 -10.04 C:14 17.74 -13.28 33 1 -2 34 2 -1 35 3 -2 4 24 1 5 28 1 36 6 -1 37 7 -1 38 8 -2 9 25 2 10 28 1 29 11 -1 30 12 -1 39 13 -2 14 25 1 14 27 2 15 17 1 15 33 1 16 18 1 16 35 1 17 36 1 18 39 1 19 26 1 19 32 1 20 29 1 20 34 1 21 30 1 21 37 1 22 31 1 32 22 -1 23 31 1 38 23 -1 24 26 2 31 24 -2 25 34 1 26 28 1 27 33 1 27 39 1 29 30 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 39 1', '39 44 H 15.20 -14.33 H 13.92 -16.59 H 18.89 -12.37 C 20.53 -5.65 C 22.59 -5.28 C 17.74 -10.43 C 13.92 -12.57 C 18.11 -9.77 O 15.20 -17.60 O 24.27 -7.04 O 10.25 -16.24 O 10.25 -13.31 O 17.74 -14.67 C 16.44 -15.50 C 15.20 -11.84 C 19.89 -12.57 C 16.44 -11.09 C 19.05 -13.69 C 22.13 -9.17 C 12.68 -16.20 C 12.68 -13.28 O 20.80 -8.24 O 18.67 -8.93 C 20.65 -7.04 C 15.20 -16.20 C 21.93 -7.61 C 16.44 -14.02 C 22.92 -6.63 C 11.41 -15.50 C 11.41 -14.02 C 19.49 -7.82 C 20.80 -9.60 C 15.20 -13.28 C 13.92 -15.50 C 19.05 -11.38 C 17.74 -11.84 C 13.92 -14.02 C 19.49 -10.04 C 17.74 -13.28 33 1 -2 34 2 -1 35 3 -2 4 24 1 5 28 1 36 6 -1 37 7 -1 38 8 -2 9 25 2 10 28 1 29 11 -1 30 12 -1 39 13 -2 14 25 1 14 27 2 15 17 1 15 33 1 16 18 1 16 35 1 17 36 1 18 39 1 19 26 1 19 32 1 20 29 1 20 34 1 21 30 1 21 37 1 22 31 1 32 22 -1 23 31 1 38 23 -1 24 26 2 31 24 -2 25 34 1 26 28 1 27 33 1 27 39 1 29 30 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 39 1', '39 44 H 15.20 -14.33 H 13.92 -16.59 H 18.89 -12.37 C:15 20.53 -5.65 C:21 22.59 -5.28 C:16 17.74 -10.43 C:24 13.92 -12.57 C:23 18.11 -9.77 O 15.20 -17.60 O 24.27 -7.04 O 10.25 -16.24 O 10.25 -13.31 O 17.74 -14.67 C:121 16.44 -15.50 C:22 15.20 -11.84 C:22 19.89 -12.57 C:31 16.44 -11.09 C:31 19.05 -13.69 C:26 22.13 -9.17 C:32 12.68 -16.20 C:38 12.68 -13.28 O 20.80 -8.24 O 18.67 -8.93 C:130 20.65 -7.04 C:204 15.20 -16.20 C:132 21.93 -7.61 C:166 16.44 -14.02 C:64 22.92 -6.63 C:68 11.41 -15.50 C:68 11.41 -14.02 C:101 19.49 -7.82 C:80 20.80 -9.60 C:34 15.20 -13.28 C:51 13.92 -15.50 C:55 19.05 -11.38 C:47 17.74 -11.84 C:38 13.92 -14.02 C:85 19.49 -10.04 C:84 17.74 -13.28 33 1 -2 34 2 -1 35 3 -2 4 24 1 5 28 1 36 6 -1 37 7 -1 38 8 -2 9 25 2 10 28 1 29 11 -1 30 12 -1 39 13 -2 14 25 1 14 27 2 15 17 1 15 33 1 16 18 1 16 35 1 17 36 1 18 39 1 19 26 1 19 32 1 20 29 1 20 34 1 21 30 1 21 37 1 22 31 1 32 22 -1 23 31 1 38 23 -1 24 26 2 31 24 -2 25 34 1 26 28 1 27 33 1 27 39 1 29 30 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 39 1', 'C29H42O7', 502.33, 'P', 'np08_1294_1', 4350, '', '', '1', 51, 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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(17375, 'Ajugacetalsterone D', '', 'Steroids', 'Stigmastanes', '', '[H][C@:9]34[CH2:11][CH2:12][C@:13]2([CH3:18])[C@@:17]([H])([C@@:20]([CH3:21])(O)[C@H:22](O)[C@@H:23]1O[C@H:26](O[CH3:26001])[C@@H:25]([CH3:27])[C@H:24]1[CH2:24001][CH3:24002])[CH2:16][CH2:15][C@@:14]2(O)[C:8]3=[CH:7][C:6](=O)[C@:5]5([H])[CH2:4][C@@H:3](O)[C@@H:2](O)[CH2:1][C@:10]45[CH3:19]', '[H][C@]34CC[C@]2(C)[C@@]([H])([C@@](C)(O)[C@H](O)[C@@H]1O[C@H](OC)[C@@H](C)[C@H]1CC)CC[C@@]2(O)C3=CC(=O)[C@]5([H])C[C@@H](O)[C@@H](O)C[C@]45C', '[H][C@:34]34[CH2:21][CH2:32][C@:48]2([CH3:18])[C@@:50]([H])([C@@:76]([CH3:23])(O)[C@H:79](O)[C@@H:83]1O[C@H:112](O[CH3:55])[C@@H:41]([CH3:12])[C@H:48]1[CH2:21][CH3:13])[CH2:22][CH2:32][C@@:84]2(O)[C:166]3=[CH:121][C:204](=O)[C@:51]5([H])[CH2:33][C@@H:68](O)[C@@H:68](O)[CH2:38][C@:39]45[CH3:24]', '41 45 H 14.65 -12.67 H 13.34 -14.96 H 18.24 -10.65 C:24002 24.79 -7.85 C:26001 21.24 -13.47 C:27 24.63 -10.62 C:21 19.34 -7.07 C:19 13.34 -10.94 C:18 17.17 -8.80 O 14.65 -16.00 O 9.69 -14.61 O 9.69 -11.67 O 20.93 -6.83 O 17.99 -7.35 O 17.17 -13.03 C:7 15.90 -13.86 C:24001 23.39 -7.85 C:11 14.65 -10.24 C:16 19.34 -10.94 C:12 15.90 -9.48 C:15 18.51 -12.07 C:4 12.11 -14.61 C:1 12.11 -11.64 O 22.37 -12.64 O 21.01 -10.55 C:6 14.65 -14.61 C:8 15.90 -12.39 C:25 23.26 -10.33 C:3 10.88 -13.86 C:2 10.88 -12.39 C:22 20.36 -8.15 C:26 22.22 -11.26 C:24 22.70 -9.05 C:23 21.31 -9.19 C:20 18.94 -8.43 C:9 14.65 -11.64 C:5 13.34 -13.86 C:17 18.51 -9.78 C:10 13.34 -12.39 C:13 17.17 -10.24 C:14 17.17 -11.64 36 1 -2 37 2 -1 38 3 -2 4 17 1 5 24 1 28 6 -2 35 7 -2 39 8 -1 40 9 -1 10 26 2 29 11 -1 30 12 -1 31 13 -2 35 14 -1 41 15 -2 16 26 1 16 27 2 33 17 -2 18 20 1 18 36 1 19 21 1 19 38 1 20 40 1 21 41 1 22 29 1 22 37 1 23 30 1 23 39 1 32 24 -1 25 32 1 34 25 -1 26 37 1 27 36 1 27 41 1 28 32 1 28 33 1 29 30 1 31 34 1 31 35 1 33 34 1 35 38 1 36 39 1 37 39 1 38 40 1 40 41 1', '41 45 H 14.65 -12.67 H 13.34 -14.96 H 18.24 -10.65 C 24.79 -7.85 C 21.24 -13.47 C 24.63 -10.62 C 19.34 -7.07 C 13.34 -10.94 C 17.17 -8.80 O 14.65 -16.00 O 9.69 -14.61 O 9.69 -11.67 O 20.93 -6.83 O 17.99 -7.35 O 17.17 -13.03 C 15.90 -13.86 C 23.39 -7.85 C 14.65 -10.24 C 19.34 -10.94 C 15.90 -9.48 C 18.51 -12.07 C 12.11 -14.61 C 12.11 -11.64 O 22.37 -12.64 O 21.01 -10.55 C 14.65 -14.61 C 15.90 -12.39 C 23.26 -10.33 C 10.88 -13.86 C 10.88 -12.39 C 20.36 -8.15 C 22.22 -11.26 C 22.70 -9.05 C 21.31 -9.19 C 18.94 -8.43 C 14.65 -11.64 C 13.34 -13.86 C 18.51 -9.78 C 13.34 -12.39 C 17.17 -10.24 C 17.17 -11.64 36 1 -2 37 2 -1 38 3 -2 4 17 1 5 24 1 28 6 -2 35 7 -2 39 8 -1 40 9 -1 10 26 2 29 11 -1 30 12 -1 31 13 -2 35 14 -1 41 15 -2 16 26 1 16 27 2 33 17 -2 18 20 1 18 36 1 19 21 1 19 38 1 20 40 1 21 41 1 22 29 1 22 37 1 23 30 1 23 39 1 32 24 -1 25 32 1 34 25 -1 26 37 1 27 36 1 27 41 1 28 32 1 28 33 1 29 30 1 31 34 1 31 35 1 33 34 1 35 38 1 36 39 1 37 39 1 38 40 1 40 41 1', '41 45 H 14.65 -12.67 H 13.34 -14.96 H 18.24 -10.65 C:13 24.79 -7.85 C:55 21.24 -13.47 C:12 24.63 -10.62 C:23 19.34 -7.07 C:24 13.34 -10.94 C:18 17.17 -8.80 O 14.65 -16.00 O 9.69 -14.61 O 9.69 -11.67 O 20.93 -6.83 O 17.99 -7.35 O 17.17 -13.03 C:121 15.90 -13.86 C:21 23.39 -7.85 C:21 14.65 -10.24 C:22 19.34 -10.94 C:32 15.90 -9.48 C:32 18.51 -12.07 C:33 12.11 -14.61 C:38 12.11 -11.64 O 22.37 -12.64 O 21.01 -10.55 C:204 14.65 -14.61 C:166 15.90 -12.39 C:41 23.26 -10.33 C:68 10.88 -13.86 C:68 10.88 -12.39 C:79 20.36 -8.15 C:112 22.22 -11.26 C:48 22.70 -9.05 C:83 21.31 -9.19 C:76 18.94 -8.43 C:34 14.65 -11.64 C:51 13.34 -13.86 C:50 18.51 -9.78 C:39 13.34 -12.39 C:48 17.17 -10.24 C:84 17.17 -11.64 36 1 -2 37 2 -1 38 3 -2 4 17 1 5 24 1 28 6 -2 35 7 -2 39 8 -1 40 9 -1 10 26 2 29 11 -1 30 12 -1 31 13 -2 35 14 -1 41 15 -2 16 26 1 16 27 2 33 17 -2 18 20 1 18 36 1 19 21 1 19 38 1 20 40 1 21 41 1 22 29 1 22 37 1 23 30 1 23 39 1 32 24 -1 25 32 1 34 25 -1 26 37 1 27 36 1 27 41 1 28 32 1 28 33 1 29 30 1 31 34 1 31 35 1 33 34 1 35 38 1 36 39 1 37 39 1 38 40 1 40 41 1', 'C30H48O8', 536.34, 'P', 'np08_1294_3', 4350, '', '', '1', 51, NULL, NULL),
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(17386, 'Isofoveoglin', '', 'Flavonoids', 'Flavaglines', '', '[CH3:104001]O[c:104]6[cH:105][cH:106][c:101]([C@@:2]24O[c:10]1[cH:9][c:8](O[CH3:8001])[cH:7][c:6](O[CH3:6001])[c:11]1[C@:5](O)([C@H:12]2O)[C@@H:4]([C:4001](=O)N[CH2:4002][CH2:4003][CH2:4004][CH2:4005]N[C:4006](=O)[c:4007]3[cH:4012][cH:4011][cH:4010][cH:4009][cH:4008]3)[C@@H:3]4[c:201]5[cH:206][cH:205][cH:204][cH:203][cH:202]5)[cH:102][cH:103]6', 'COc6ccc([C@@]24Oc1cc(OC)cc(OC)c1[C@](O)([C@H]2O)[C@@H](C(=O)NCCCCNC(=O)c3ccccc3)[C@@H]4c5ccccc5)cc6', '[CH3:55]O[c:159]6[cH:113][cH:129][c:130]([C@@:90]24O[c:154]1[cH:94][c:161](O[CH3:55])[cH:93][c:156](O[CH3:56])[c:110]1[C@:80](O)([C@H:83]2O)[C@@H:66]([C:174](=O)N[CH2:39][CH2:26][CH2:27][CH2:40]N[C:168](=O)[c:134]3[cH:127][cH:129][cH:132][cH:129][cH:127]3)[C@@H:56]4[c:137]5[cH:129][cH:128][cH:127][cH:128][cH:129]5)[cH:129][cH:113]6', '48 53 C:104001 15.59 -18.01 C:8001 7.00 -9.72 C:6001 10.30 -6.17 O 24.24 -9.34 O 15.37 -7.23 O 13.92 -9.75 O 13.22 -7.43 C:4010 27.27 -5.33 C:204 18.87 -11.66 C:4011 25.96 -4.83 C:4009 27.48 -6.72 C:205 17.91 -12.70 C:203 18.45 -10.33 C:4012 24.87 -5.71 C:4008 26.39 -7.59 C:105 14.33 -15.48 C:103 16.56 -14.43 C:206 16.56 -12.39 C:202 17.10 -10.02 C:106 13.71 -14.22 C:102 15.94 -13.16 C:7 9.68 -8.91 C:9 10.39 -11.14 C:4004 20.32 -7.83 C:4003 19.23 -8.72 C:4005 21.63 -8.34 C:4002 17.91 -8.21 N 22.72 -7.43 N 16.86 -9.09 O 16.38 -16.85 O 8.04 -10.66 O 11.31 -7.13 O 12.53 -11.81 C:4006 24.02 -7.97 C:4001 15.59 -8.58 C:104 15.76 -15.59 C:8 9.37 -10.23 C:4007 25.09 -7.09 C:201 16.14 -11.04 C:101 14.52 -13.05 C:6 10.99 -8.50 C:10 11.67 -10.74 C:11 11.98 -9.43 C:12 12.86 -10.41 C:4 14.52 -9.43 C:3 14.79 -10.74 C:5 13.22 -8.84 C:2 13.92 -11.81 1 30 1 2 31 1 3 32 1 4 34 2 5 35 2 44 6 -1 47 7 -2 8 10 1 8 11 2 9 12 1 9 13 2 10 14 2 11 15 1 12 18 2 13 19 1 14 38 1 15 38 2 16 20 2 16 36 1 17 21 1 17 36 2 18 39 1 19 39 2 20 40 1 21 40 2 22 37 1 22 41 2 23 37 2 23 42 1 24 25 1 24 26 1 25 27 1 26 28 1 27 29 1 28 34 1 29 35 1 30 36 1 31 37 1 32 41 1 33 42 1 33 48 1 34 38 1 45 35 -1 46 39 -2 48 40 -1 41 43 1 42 43 2 43 47 1 44 47 1 44 48 1 45 46 1 45 47 1 46 48 1', '48 53 C 15.59 -18.01 C 7.00 -9.72 C 10.30 -6.17 O 24.24 -9.34 O 15.37 -7.23 O 13.92 -9.75 O 13.22 -7.43 C 27.27 -5.33 C 18.87 -11.66 C 25.96 -4.83 C 27.48 -6.72 C 17.91 -12.70 C 18.45 -10.33 C 24.87 -5.71 C 26.39 -7.59 C 14.33 -15.48 C 16.56 -14.43 C 16.56 -12.39 C 17.10 -10.02 C 13.71 -14.22 C 15.94 -13.16 C 9.68 -8.91 C 10.39 -11.14 C 20.32 -7.83 C 19.23 -8.72 C 21.63 -8.34 C 17.91 -8.21 N 22.72 -7.43 N 16.86 -9.09 O 16.38 -16.85 O 8.04 -10.66 O 11.31 -7.13 O 12.53 -11.81 C 24.02 -7.97 C 15.59 -8.58 C 15.76 -15.59 C 9.37 -10.23 C 25.09 -7.09 C 16.14 -11.04 C 14.52 -13.05 C 10.99 -8.50 C 11.67 -10.74 C 11.98 -9.43 C 12.86 -10.41 C 14.52 -9.43 C 14.79 -10.74 C 13.22 -8.84 C 13.92 -11.81 1 30 1 2 31 1 3 32 1 4 34 2 5 35 2 44 6 -1 47 7 -2 8 10 1 8 11 2 9 12 1 9 13 2 10 14 2 11 15 1 12 18 2 13 19 1 14 38 1 15 38 2 16 20 2 16 36 1 17 21 1 17 36 2 18 39 1 19 39 2 20 40 1 21 40 2 22 37 1 22 41 2 23 37 2 23 42 1 24 25 1 24 26 1 25 27 1 26 28 1 27 29 1 28 34 1 29 35 1 30 36 1 31 37 1 32 41 1 33 42 1 33 48 1 34 38 1 45 35 -1 46 39 -2 48 40 -1 41 43 1 42 43 2 43 47 1 44 47 1 44 48 1 45 46 1 45 47 1 46 48 1', '48 53 C:55 15.59 -18.01 C:55 7.00 -9.72 C:56 10.30 -6.17 O 24.24 -9.34 O 15.37 -7.23 O 13.92 -9.75 O 13.22 -7.43 C:132 27.27 -5.33 C:127 18.87 -11.66 C:129 25.96 -4.83 C:129 27.48 -6.72 C:128 17.91 -12.70 C:128 18.45 -10.33 C:127 24.87 -5.71 C:127 26.39 -7.59 C:113 14.33 -15.48 C:113 16.56 -14.43 C:129 16.56 -12.39 C:129 17.10 -10.02 C:129 13.71 -14.22 C:129 15.94 -13.16 C:93 9.68 -8.91 C:94 10.39 -11.14 C:27 20.32 -7.83 C:26 19.23 -8.72 C:40 21.63 -8.34 C:39 17.91 -8.21 N 22.72 -7.43 N 16.86 -9.09 O 16.38 -16.85 O 8.04 -10.66 O 11.31 -7.13 O 12.53 -11.81 C:168 24.02 -7.97 C:174 15.59 -8.58 C:159 15.76 -15.59 C:161 9.37 -10.23 C:134 25.09 -7.09 C:137 16.14 -11.04 C:130 14.52 -13.05 C:156 10.99 -8.50 C:154 11.67 -10.74 C:110 11.98 -9.43 C:83 12.86 -10.41 C:66 14.52 -9.43 C:56 14.79 -10.74 C:80 13.22 -8.84 C:90 13.92 -11.81 1 30 1 2 31 1 3 32 1 4 34 2 5 35 2 44 6 -1 47 7 -2 8 10 1 8 11 2 9 12 1 9 13 2 10 14 2 11 15 1 12 18 2 13 19 1 14 38 1 15 38 2 16 20 2 16 36 1 17 21 1 17 36 2 18 39 1 19 39 2 20 40 1 21 40 2 22 37 1 22 41 2 23 37 2 23 42 1 24 25 1 24 26 1 25 27 1 26 28 1 27 29 1 28 34 1 29 35 1 30 36 1 31 37 1 32 41 1 33 42 1 33 48 1 34 38 1 45 35 -1 46 39 -2 48 40 -1 41 43 1 42 43 2 43 47 1 44 47 1 44 48 1 45 46 1 45 47 1 46 48 1', 'C38H40N2O8', 652.415, 'C', 'tt08_7926_4', 4365, '', '2', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(17410, '', '20α,28-Epoxy-28R-methoxytaraxasteran-3α-ol', 'Terpenoids', 'Triterpenoids', 'Taraxastanes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]1([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@@:13]3([H])[C@@:14]1([CH3:27])[CH2:15][CH2:16][C@:17]24[CH2:22][CH2:21][C@@:20]([CH3:30])(O[C@@H:28]2O[CH3:28001])[C@@H:19]([CH3:29])[C@:18]34[H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]56CC[C@]1(C)[C@]([H])(CC[C@@]3([H])[C@@]1(C)CC[C@]24CC[C@@](C)(O[C@@H]2OC)[C@@H](C)[C@]34[H])[C@@]5(C)CC[C@H](O)[C@@]6(C)C', '[H][C@@:55]56[CH2:18][CH2:34][C@:41]1([CH3:16])[C@:51]([H])([CH2:21][CH2:25][C@@:39]3([H])[C@@:41]1([CH3:15])[CH2:26][CH2:28][C@:35]24[CH2:29][CH2:27][C@@:74]([CH3:25])(O[C@@H:100]2O[CH3:55])[C@@H:43]([CH3:20])[C@:49]34[H])[C@@:37]5([CH3:16])[CH2:39][CH2:27][C@H:79](O)[C@@:39]6([CH3:15])[CH3:28]', '38 43 H 14.22 -15.47 H 15.41 -13.29 H 17.82 -9.73 H 19.04 -11.38 C:28001 23.88 -11.74 C:29 17.82 -8.06 C:24 12.09 -16.23 C:23 13.82 -16.23 C:30 20.27 -6.67 C:25 14.22 -11.58 C:26 16.63 -11.58 C:27 17.82 -13.66 O 10.59 -15.07 C:2 11.80 -12.99 C:1 13.00 -12.28 C:21 21.49 -8.78 C:11 15.41 -10.88 C:6 15.41 -15.07 C:12 16.63 -10.17 C:7 16.63 -14.37 C:15 19.04 -12.99 C:22 21.49 -10.17 C:16 20.27 -12.28 O 22.72 -10.95 O 20.27 -9.53 C:3 11.80 -14.37 C:19 19.04 -8.78 C:28 21.45 -11.58 C:4 13.00 -15.06 C:20 20.27 -8.06 C:5 14.22 -14.37 C:9 15.41 -12.28 C:13 17.82 -10.88 C:10 14.22 -12.99 C:8 16.63 -12.99 C:14 17.82 -12.28 C:18 19.04 -10.17 C:17 20.27 -10.88 31 1 -2 32 2 -2 33 3 -1 37 4 -2 5 24 1 27 6 -2 29 7 -1 29 8 -2 30 9 -2 34 10 -1 35 11 -1 36 12 -2 26 13 -1 14 15 1 14 26 1 15 34 1 16 22 1 16 30 1 17 19 1 17 32 1 18 20 1 18 31 1 19 33 1 20 35 1 21 23 1 21 36 1 22 38 1 23 38 1 28 24 -2 25 28 1 25 30 1 26 29 1 27 30 1 27 37 1 38 28 -1 29 31 1 31 34 1 32 34 1 32 35 1 33 36 1 33 37 1 35 36 1 37 38 1', '38 43 H 14.22 -15.47 H 15.41 -13.29 H 17.82 -9.73 H 19.04 -11.38 C 23.88 -11.74 C 17.82 -8.06 C 12.09 -16.23 C 13.82 -16.23 C 20.27 -6.67 C 14.22 -11.58 C 16.63 -11.58 C 17.82 -13.66 O 10.59 -15.07 C 11.80 -12.99 C 13.00 -12.28 C 21.49 -8.78 C 15.41 -10.88 C 15.41 -15.07 C 16.63 -10.17 C 16.63 -14.37 C 19.04 -12.99 C 21.49 -10.17 C 20.27 -12.28 O 22.72 -10.95 O 20.27 -9.53 C 11.80 -14.37 C 19.04 -8.78 C 21.45 -11.58 C 13.00 -15.06 C 20.27 -8.06 C 14.22 -14.37 C 15.41 -12.28 C 17.82 -10.88 C 14.22 -12.99 C 16.63 -12.99 C 17.82 -12.28 C 19.04 -10.17 C 20.27 -10.88 31 1 -2 32 2 -2 33 3 -1 37 4 -2 5 24 1 27 6 -2 29 7 -1 29 8 -2 30 9 -2 34 10 -1 35 11 -1 36 12 -2 26 13 -1 14 15 1 14 26 1 15 34 1 16 22 1 16 30 1 17 19 1 17 32 1 18 20 1 18 31 1 19 33 1 20 35 1 21 23 1 21 36 1 22 38 1 23 38 1 28 24 -2 25 28 1 25 30 1 26 29 1 27 30 1 27 37 1 38 28 -1 29 31 1 31 34 1 32 34 1 32 35 1 33 36 1 33 37 1 35 36 1 37 38 1', '38 43 H 14.22 -15.47 H 15.41 -13.29 H 17.82 -9.73 H 19.04 -11.38 C:55 23.88 -11.74 C:20 17.82 -8.06 C:15 12.09 -16.23 C:28 13.82 -16.23 C:25 20.27 -6.67 C:16 14.22 -11.58 C:16 16.63 -11.58 C:15 17.82 -13.66 O 10.59 -15.07 C:27 11.80 -12.99 C:39 13.00 -12.28 C:27 21.49 -8.78 C:21 15.41 -10.88 C:18 15.41 -15.07 C:25 16.63 -10.17 C:34 16.63 -14.37 C:26 19.04 -12.99 C:29 21.49 -10.17 C:28 20.27 -12.28 O 22.72 -10.95 O 20.27 -9.53 C:79 11.80 -14.37 C:43 19.04 -8.78 C:100 21.45 -11.58 C:39 13.00 -15.06 C:74 20.27 -8.06 C:55 14.22 -14.37 C:51 15.41 -12.28 C:39 17.82 -10.88 C:37 14.22 -12.99 C:41 16.63 -12.99 C:41 17.82 -12.28 C:49 19.04 -10.17 C:35 20.27 -10.88 31 1 -2 32 2 -2 33 3 -1 37 4 -2 5 24 1 27 6 -2 29 7 -1 29 8 -2 30 9 -2 34 10 -1 35 11 -1 36 12 -2 26 13 -1 14 15 1 14 26 1 15 34 1 16 22 1 16 30 1 17 19 1 17 32 1 18 20 1 18 31 1 19 33 1 20 35 1 21 23 1 21 36 1 22 38 1 23 38 1 28 24 -2 25 28 1 25 30 1 26 29 1 27 30 1 27 37 1 38 28 -1 29 31 1 31 34 1 32 34 1 32 35 1 33 36 1 33 37 1 35 36 1 37 38 1', 'C31H52O3', 472.362, 'C', 'np06_1164_1', 4373, '', '', '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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