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
(18770, '', '3-O-[b-D-Glucopyranosyl-(1--> 2)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl]-betulinic acid', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]58[CH2:6][CH2:7][C@:8]4([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]3([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:301]2O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]2O)[CH2:16][CH2:15][C@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@H:103](O)[C@H:102]6O[C@@H:201]7O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]7O)[C@:4]8([CH3:23])[CH3:24]', '[H][C@@]58CC[C@]4(C)[C@]([H])(CC[C@]3([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]34C)[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@]8(C)C', 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(18771, '', '3-O-[b-D-Glucopyranosyl-(1-->2)-[b-D-galactopyranosyl-(1-->3)]-b-D-glucuronopyranosyl]-oleanolic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]8([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]7([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O[C@@H:101]6O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@H:103](O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@H:204](O)[C@H:203](O)[C@H:202]4O[C@@H:301]5O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]5O)[C@H:102]6O)[CH2:2][CH2:1][C@@:10]78[CH3:25]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)O)CC[C@]3(C)C2=CC[C@@]8([H])[C@@]3(C)CC[C@@]7([H])[C@@](C)(C)[C@@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O)CC[C@@]78C', 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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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'[H][C@@:55]45[CH2:18][CH2:34][C@:40]3([CH3:16])[C@:50]([H])([CH2:21][CH2:26][C@:39]2([H])[C@@:48]1([H])[C@H:39]([CH3:25])[C:154](=[CH2:107])[CH2:25][CH2:35][C@:41]1([CH3:13])[C@@H:77](O)[CH2:36][C@:42]23[CH3:16])[C@@:37]4([CH3:16])[CH2:38][CH2:24][C@H:80](O[C:174](=O)[CH2:35][CH2:32][CH2:27][CH2:23][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH2:30][CH2:30][CH2:25][CH3:14])[C@@:38]5([CH3:17])[CH3:28]', '53 57 H 21.41 -15.34 H 25.18 -9.72 H 22.67 -13.14 H 26.44 -11.07 C:30 27.72 -6.52 C:3016 8.01 -6.67 C:29 25.26 -7.93 C:24 19.20 -16.37 C:23 20.99 -16.32 C:28 27.72 -9.29 C:25 21.41 -11.48 C:26 23.92 -11.48 C:27 25.18 -13.65 O 16.51 -12.96 O 28.93 -12.89 C:3015 8.01 -8.07 C:3014 6.80 -8.77 C:3013 6.80 -10.16 C:3012 5.59 -10.86 C:3011 5.59 -12.26 C:3010 6.80 -12.96 C:3009 6.80 -14.36 C:3008 8.01 -15.07 C:3007 9.22 -14.36 C:3006 10.43 -15.07 C:3005 11.65 -14.36 C:3004 12.86 -15.07 C:3003 14.07 -14.36 C:3002 15.29 -15.07 C:21 28.90 -8.62 C:2 18.91 -12.92 C:22 28.90 -10.04 C:6 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'[H][C@:39]37[CH2:27][CH2:21][C@:51]2([H])[C@@:37]1([CH3:17])[CH2:33][CH2:23][C@@H:76](O[C:170]([CH3:21])=O)[C@@:50]([CH3:18])([C:178](=O)O)[C@:46]1([H])[CH2:22][CH2:35][C@@:42]2([CH3:17])[C@:43]3([CH3:15])[CH2:30][CH2:33][C@@:57]8([C:175](=O)O[C@@H:95]6O[C@H:78]([CH2:69]O[C@@H:105]5O[C@H:77]([CH2:61]O)[C@@H:79](O[C@@H:103]4O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:73]4O)[C@H:77](O)[C@H:75]5O)[C@@H:71](O)[C@H:78](O)[C@H:74]6O)[CH2:38][CH2:33][C@@H:43]([C:157](=[CH2:106])[CH2:65]O)[C@:50]78[H]', '75 82 H 17.33 -5.34 H 14.81 -8.75 H 13.55 -10.92 H 18.59 -6.69 C:29 18.38 -1.82 C:3002 7.41 -10.67 C:306 18.65 -16.87 C:25 13.55 -7.10 C:27 17.33 -9.26 C:26 16.06 -7.10 C:24 11.34 -11.97 O 8.61 -8.57 O 14.53 -11.91 O 21.07 -8.47 O 15.60 -2.46 O 27.14 -14.77 O 12.53 -13.18 O 18.65 -19.69 O 27.14 -9.18 O 21.07 -21.06 O 27.14 -6.37 O 24.70 -4.98 O 23.48 -19.69 O 21.07 -12.68 O 21.07 -15.47 C:30 16.53 -3.51 C:206 25.91 -15.47 C:2 11.05 -8.53 C:21 20.33 -4.10 C:12 16.06 -5.64 C:11 14.81 -6.37 C:6 14.81 -10.72 C:1 12.30 -7.81 C:22 20.92 -5.40 C:7 16.06 -10.00 C:15 18.59 -8.53 C:16 19.86 -7.81 C:106 24.70 -10.58 O 23.48 -11.27 O 9.83 -10.67 O 22.28 -6.37 O 21.07 -16.87 O 24.70 -13.37 O 23.48 -8.47 O 23.48 -16.87 C:3001 8.61 -9.97 C:20 17.94 -3.20 C:23 13.13 -11.91 C:28 21.07 -7.07 C:305 19.86 -17.57 C:205 24.70 -14.77 C:105 24.70 -9.18 C:304 19.86 -18.98 C:104 25.91 -8.47 C:303 21.07 -19.69 C:103 25.91 -7.10 C:102 24.70 -6.37 C:302 22.28 -18.98 C:202 22.28 -13.37 C:203 22.28 -14.77 C:3 11.05 -10.00 C:201 23.48 -12.68 C:101 23.48 -7.07 C:301 22.28 -17.57 C:19 18.90 -4.26 C:204 23.48 -15.47 C:13 17.33 -6.37 C:9 14.81 -7.81 C:5 13.55 -10.00 C:18 18.59 -5.64 C:10 13.55 -8.53 C:14 17.33 -7.81 C:8 16.06 -8.53 C:4 12.30 -10.72 C:17 19.86 -6.37 67 1 -1 68 2 -2 69 3 -2 70 4 -2 5 47 2 6 46 1 50 7 -2 71 8 -1 72 9 -2 73 10 -1 74 11 -1 12 46 2 13 48 2 14 49 2 15 26 1 16 27 1 17 48 1 53 18 -1 54 19 -2 55 20 -2 56 21 -1 57 22 -2 58 23 -2 59 24 -1 60 25 -2 26 47 1 51 27 -2 28 33 1 28 61 1 29 34 1 29 65 1 30 31 1 30 67 1 31 68 1 32 35 1 32 69 1 33 71 1 34 75 1 35 73 1 36 37 1 36 72 1 37 75 1 38 39 1 52 38 -1 62 39 -2 40 46 1 61 40 -2 41 49 1 63 41 -1 42 50 1 42 64 1 43 51 1 43 62 1 44 52 1 44 63 1 64 45 -1 66 45 -1 65 47 -2 74 48 -2 75 49 -1 50 53 1 51 66 1 52 54 1 53 55 1 54 56 1 55 58 1 56 57 1 57 63 1 58 64 1 59 60 1 59 62 1 60 66 1 61 74 1 65 70 1 67 70 1 67 72 1 68 71 1 68 73 1 69 71 1 69 74 1 70 75 1 72 73 1', '75 82 H 17.33 -5.34 H 14.81 -8.75 H 13.55 -10.92 H 18.59 -6.69 C 18.38 -1.82 C 7.41 -10.67 C 18.65 -16.87 C 13.55 -7.10 C 17.33 -9.26 C 16.06 -7.10 C 11.34 -11.97 O 8.61 -8.57 O 14.53 -11.91 O 21.07 -8.47 O 15.60 -2.46 O 27.14 -14.77 O 12.53 -13.18 O 18.65 -19.69 O 27.14 -9.18 O 21.07 -21.06 O 27.14 -6.37 O 24.70 -4.98 O 23.48 -19.69 O 21.07 -12.68 O 21.07 -15.47 C 16.53 -3.51 C 25.91 -15.47 C 11.05 -8.53 C 20.33 -4.10 C 16.06 -5.64 C 14.81 -6.37 C 14.81 -10.72 C 12.30 -7.81 C 20.92 -5.40 C 16.06 -10.00 C 18.59 -8.53 C 19.86 -7.81 C 24.70 -10.58 O 23.48 -11.27 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74 48 -2 75 49 -1 50 53 1 51 66 1 52 54 1 53 55 1 54 56 1 55 58 1 56 57 1 57 63 1 58 64 1 59 60 1 59 62 1 60 66 1 61 74 1 65 70 1 67 70 1 67 72 1 68 71 1 68 73 1 69 71 1 69 74 1 70 75 1 72 73 1', '75 82 H 17.33 -5.34 H 14.81 -8.75 H 13.55 -10.92 H 18.59 -6.69 C:106 18.38 -1.82 C:21 7.41 -10.67 C:19 18.65 -16.87 C:17 13.55 -7.10 C:15 17.33 -9.26 C:17 16.06 -7.10 C:18 11.34 -11.97 O 8.61 -8.57 O 14.53 -11.91 O 21.07 -8.47 O 15.60 -2.46 O 27.14 -14.77 O 12.53 -13.18 O 18.65 -19.69 O 27.14 -9.18 O 21.07 -21.06 O 27.14 -6.37 O 24.70 -4.98 O 23.48 -19.69 O 21.07 -12.68 O 21.07 -15.47 C:65 16.53 -3.51 C:61 25.91 -15.47 C:23 11.05 -8.53 C:33 20.33 -4.10 C:27 16.06 -5.64 C:21 14.81 -6.37 C:22 14.81 -10.72 C:33 12.30 -7.81 C:38 20.92 -5.40 C:35 16.06 -10.00 C:30 18.59 -8.53 C:33 19.86 -7.81 C:69 24.70 -10.58 O 23.48 -11.27 O 9.83 -10.67 O 22.28 -6.37 O 21.07 -16.87 O 24.70 -13.37 O 23.48 -8.47 O 23.48 -16.87 C:170 8.61 -9.97 C:157 17.94 -3.20 C:178 13.13 -11.91 C:175 21.07 -7.07 C:70 19.86 -17.57 C:77 24.70 -14.77 C:78 24.70 -9.18 C:74 19.86 -18.98 C:71 25.91 -8.47 C:73 21.07 -19.69 C:78 25.91 -7.10 C:74 24.70 -6.37 C:73 22.28 -18.98 C:75 22.28 -13.37 C:77 22.28 -14.77 C:76 11.05 -10.00 C:105 23.48 -12.68 C:95 23.48 -7.07 C:103 22.28 -17.57 C:43 18.90 -4.26 C:79 23.48 -15.47 C:39 17.33 -6.37 C:51 14.81 -7.81 C:46 13.55 -10.00 C:50 18.59 -5.64 C:37 13.55 -8.53 C:43 17.33 -7.81 C:42 16.06 -8.53 C:50 12.30 -10.72 C:57 19.86 -6.37 67 1 -1 68 2 -2 69 3 -2 70 4 -2 5 47 2 6 46 1 50 7 -2 71 8 -1 72 9 -2 73 10 -1 74 11 -1 12 46 2 13 48 2 14 49 2 15 26 1 16 27 1 17 48 1 53 18 -1 54 19 -2 55 20 -2 56 21 -1 57 22 -2 58 23 -2 59 24 -1 60 25 -2 26 47 1 51 27 -2 28 33 1 28 61 1 29 34 1 29 65 1 30 31 1 30 67 1 31 68 1 32 35 1 32 69 1 33 71 1 34 75 1 35 73 1 36 37 1 36 72 1 37 75 1 38 39 1 52 38 -1 62 39 -2 40 46 1 61 40 -2 41 49 1 63 41 -1 42 50 1 42 64 1 43 51 1 43 62 1 44 52 1 44 63 1 64 45 -1 66 45 -1 65 47 -2 74 48 -2 75 49 -1 50 53 1 51 66 1 52 54 1 53 55 1 54 56 1 55 58 1 56 57 1 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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
(18789, '', '3-O-[9(Z)-Octadecenoyl]betulinic acid', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH2:3004][CH2:3005][CH2:3006][CH2:3007][CH2:3008][CH:3009]=[CH:3010][CH2:3011][CH2:3012][CH2:3013][CH2:3014][CH2:3015][CH2:3016][CH2:3017][CH3:3018])[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)O)CC[C@]23C)[C@@]4(C)CC[C@H](OC(=O)CCCCCCCC=CCCCCCCCC)[C@@]5(C)C', 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(18796, 'Heteroscyphic acid A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C:20](=O)O', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@@]2(CC=C(C)C=C)C(=O)O', '[H][C@:49]12[CH2:21][CH2:28][CH:122]=[C:144]([CH3:19])[C@:39]1([CH3:18])[CH2:38][CH2:28][C@@H:38]([CH3:17])[C@@:52]2([CH2:33][CH:127]=[C:137]([CH3:13])[CH:142]=[CH2:112])[C:183](=O)O', '23 24 H 16.62 -11.77 C:15 15.40 -6.48 C:16 17.85 -7.88 C:18 15.40 -16.34 C:17 20.34 -12.07 C:19 16.65 -15.63 O 18.69 -9.78 O 20.26 -11.50 C:14 15.40 -7.88 C:12 16.62 -9.97 C:3 14.16 -14.22 C:2 14.16 -12.80 C:11 17.85 -10.65 C:7 19.12 -14.22 C:1 15.40 -12.07 C:6 17.85 -14.93 C:13 16.62 -8.57 C:4 15.40 -14.93 C:20 18.94 -11.14 C:8 19.12 -12.80 C:10 16.62 -12.80 C:5 16.62 -14.22 C:9 17.85 -12.07 21 1 -1 2 9 2 3 17 1 4 18 1 20 5 -2 22 6 -2 7 19 2 8 19 1 9 17 1 10 13 1 10 17 2 11 12 1 11 18 2 12 15 1 23 13 -1 14 16 1 14 20 1 15 21 1 16 22 1 18 22 1 23 19 -2 20 23 1 21 22 1 21 23 1', '23 24 H 16.62 -11.77 C 15.40 -6.48 C 17.85 -7.88 C 15.40 -16.34 C 20.34 -12.07 C 16.65 -15.63 O 18.69 -9.78 O 20.26 -11.50 C 15.40 -7.88 C 16.62 -9.97 C 14.16 -14.22 C 14.16 -12.80 C 17.85 -10.65 C 19.12 -14.22 C 15.40 -12.07 C 17.85 -14.93 C 16.62 -8.57 C 15.40 -14.93 C 18.94 -11.14 C 19.12 -12.80 C 16.62 -12.80 C 16.62 -14.22 C 17.85 -12.07 21 1 -1 2 9 2 3 17 1 4 18 1 20 5 -2 22 6 -2 7 19 2 8 19 1 9 17 1 10 13 1 10 17 2 11 12 1 11 18 2 12 15 1 23 13 -1 14 16 1 14 20 1 15 21 1 16 22 1 18 22 1 23 19 -2 20 23 1 21 22 1 21 23 1', '23 24 H 16.62 -11.77 C:112 15.40 -6.48 C:13 17.85 -7.88 C:19 15.40 -16.34 C:17 20.34 -12.07 C:18 16.65 -15.63 O 18.69 -9.78 O 20.26 -11.50 C:142 15.40 -7.88 C:127 16.62 -9.97 C:122 14.16 -14.22 C:28 14.16 -12.80 C:33 17.85 -10.65 C:28 19.12 -14.22 C:21 15.40 -12.07 C:38 17.85 -14.93 C:137 16.62 -8.57 C:144 15.40 -14.93 C:183 18.94 -11.14 C:38 19.12 -12.80 C:49 16.62 -12.80 C:39 16.62 -14.22 C:52 17.85 -12.07 21 1 -1 2 9 2 3 17 1 4 18 1 20 5 -2 22 6 -2 7 19 2 8 19 1 9 17 1 10 13 1 10 17 2 11 12 1 11 18 2 12 15 1 23 13 -1 14 16 1 14 20 1 15 21 1 16 22 1 18 22 1 23 19 -2 20 23 1 21 22 1 21 23 1', 'C20H30O2', 302.221, 'C', 'cc06_2069_1', 4732, 'Stereochemistry doble bound corrected. Chemical shift in ph37_1263_1', '', '1', 55, NULL, NULL),
(18797, 'Heteroscyphic  acid  B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C:20](=O)O', '[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](C)[C@@]2(CC=C(C)C=C)C(=O)O', '[H][C@:48]12[CH2:20][CH2:27][CH:124]=[C:142]([CH3:21])[C@:43]1([CH3:14])[C@@H:78](O[C:171]([CH3:22])=O)[CH2:33][C@@H:34]([CH3:16])[C@@:50]2([CH2:32][CH:125]=[C:137]([CH3:12])[CH:141]=[CH2:112])[C:181](=O)O', '27 28 H 16.61 -10.77 C:15 15.39 -5.46 C:6002 20.26 -15.29 C:16 17.84 -6.84 C:18 15.39 -15.33 C:17 20.31 -11.07 C:19 16.64 -14.62 O 19.07 -17.41 O 18.67 -8.77 O 20.23 -10.50 C:14 15.39 -6.86 C:12 16.61 -8.96 C:3 14.15 -13.21 C:2 14.15 -11.79 C:11 17.84 -9.64 C:1 15.39 -11.07 C:7 19.10 -13.21 O 17.84 -15.33 C:6001 19.07 -16.01 C:13 16.61 -7.55 C:4 15.39 -13.92 C:20 18.92 -10.14 C:8 19.10 -11.79 C:6 17.84 -13.92 C:10 16.61 -11.79 C:5 16.61 -13.21 C:9 17.84 -11.07 25 1 -1 2 11 2 3 19 1 4 20 1 5 21 1 23 6 -2 26 7 -2 8 19 2 9 22 2 10 22 1 11 20 1 12 15 1 12 20 2 13 14 1 13 21 2 14 16 1 27 15 -1 16 25 1 17 23 1 17 24 1 18 19 1 24 18 -2 21 26 1 27 22 -2 23 27 1 24 26 1 25 26 1 25 27 1', '27 28 H 16.61 -10.77 C 15.39 -5.46 C 20.26 -15.29 C 17.84 -6.84 C 15.39 -15.33 C 20.31 -11.07 C 16.64 -14.62 O 19.07 -17.41 O 18.67 -8.77 O 20.23 -10.50 C 15.39 -6.86 C 16.61 -8.96 C 14.15 -13.21 C 14.15 -11.79 C 17.84 -9.64 C 15.39 -11.07 C 19.10 -13.21 O 17.84 -15.33 C 19.07 -16.01 C 16.61 -7.55 C 15.39 -13.92 C 18.92 -10.14 C 19.10 -11.79 C 17.84 -13.92 C 16.61 -11.79 C 16.61 -13.21 C 17.84 -11.07 25 1 -1 2 11 2 3 19 1 4 20 1 5 21 1 23 6 -2 26 7 -2 8 19 2 9 22 2 10 22 1 11 20 1 12 15 1 12 20 2 13 14 1 13 21 2 14 16 1 27 15 -1 16 25 1 17 23 1 17 24 1 18 19 1 24 18 -2 21 26 1 27 22 -2 23 27 1 24 26 1 25 26 1 25 27 1', '27 28 H 16.61 -10.77 C:112 15.39 -5.46 C:22 20.26 -15.29 C:12 17.84 -6.84 C:21 15.39 -15.33 C:16 20.31 -11.07 C:14 16.64 -14.62 O 19.07 -17.41 O 18.67 -8.77 O 20.23 -10.50 C:141 15.39 -6.86 C:125 16.61 -8.96 C:124 14.15 -13.21 C:27 14.15 -11.79 C:32 17.84 -9.64 C:20 15.39 -11.07 C:33 19.10 -13.21 O 17.84 -15.33 C:171 19.07 -16.01 C:137 16.61 -7.55 C:142 15.39 -13.92 C:181 18.92 -10.14 C:34 19.10 -11.79 C:78 17.84 -13.92 C:48 16.61 -11.79 C:43 16.61 -13.21 C:50 17.84 -11.07 25 1 -1 2 11 2 3 19 1 4 20 1 5 21 1 23 6 -2 26 7 -2 8 19 2 9 22 2 10 22 1 11 20 1 12 15 1 12 20 2 13 14 1 13 21 2 14 16 1 27 15 -1 16 25 1 17 23 1 17 24 1 18 19 1 24 18 -2 21 26 1 27 22 -2 23 27 1 24 26 1 25 26 1 25 27 1', 'C22H32O4', 360.241, 'C', 'cc06_2069_1', 4732, 'Stereochemistry doble bound corrected. Chemical shift in ph37_1263_2', '', '1', 55, 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
(18811, 'Cycloalpigenin A', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:5]46[CH2:6][CH2:7][C@@:8]3([H])[C@:14]2([CH3:30])[CH2:15][C@H:16](O)[C@:17]([H])([C@@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:27])([CH3:26])O)O1)[C@@:13]2([CH3:18])[C:12](=O)[CH2:11][C@:9]35[CH2:19][C@:10]45[CH2:1][CH2:2][C@H:3](O)[C@:4]6([CH3:28])[CH3:29]', '[H][C@@]46CC[C@@]3([H])[C@]2(C)C[C@H](O)[C@]([H])([C@@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@]2(C)C(=O)C[C@]35C[C@]45CC[C@H](O)[C@]6(C)C', '[H][C@@:47]46[CH2:21][CH2:27][C@@:48]3([H])[C@:48]2([CH3:15])[CH2:46][C@H:73](O)[C@:50]([H])([C@@:87]1([CH3:29])[CH2:36][CH2:26][C@@H:82]([C:71]([CH3:28])([CH3:27])O)O1)[C@@:61]2([CH3:15])[C:211](=O)[CH2:46][C@:20]35[CH2:31][C@:28]45[CH2:33][CH2:31][C@H:78](O)[C@:41]6([CH3:26])[CH3:21]', '38 43 H 14.41 -16.29 H 16.89 -12.63 H 19.33 -12.05 C:27 23.72 -7.75 C:26 22.44 -5.78 C:28 14.00 -17.07 C:29 12.24 -17.11 C:21 21.13 -10.65 C:30 18.15 -14.44 C:18 18.15 -10.19 O 16.89 -9.45 O 10.73 -15.89 O 21.75 -12.32 O 23.60 -6.37 C:2 11.94 -13.74 C:23 19.97 -7.51 C:22 19.14 -8.63 C:1 13.17 -13.04 C:6 15.69 -15.89 C:7 16.89 -15.18 C:11 15.69 -11.58 C:15 19.48 -13.46 C:19 14.41 -12.32 O 21.30 -9.38 C:12 16.89 -10.85 C:3 11.94 -15.18 C:16 20.35 -12.32 C:24 21.30 -7.97 C:25 22.44 -7.17 C:4 13.17 -15.89 C:20 19.93 -9.78 C:5 14.41 -15.18 C:8 16.89 -13.74 C:14 18.15 -13.04 C:17 19.48 -11.12 C:13 18.15 -11.58 C:10 14.41 -13.74 C:9 15.69 -13.04 32 1 -2 33 2 -1 35 3 -2 4 29 1 5 29 1 30 6 -2 30 7 -1 31 8 -2 34 9 -2 36 10 -1 11 25 2 26 12 -1 27 13 -1 14 29 1 15 18 1 15 26 1 16 17 1 16 28 1 17 31 1 18 37 1 19 20 1 19 32 1 20 33 1 21 25 1 21 38 1 22 27 1 22 34 1 37 23 -1 38 23 -1 24 28 1 24 31 1 25 36 1 26 30 1 27 35 1 28 29 -1 30 32 1 31 35 1 32 37 1 33 34 1 33 38 1 34 36 1 35 36 1 37 38 1', '38 43 H 14.41 -16.29 H 16.89 -12.63 H 19.33 -12.05 C 23.72 -7.75 C 22.44 -5.78 C 14.00 -17.07 C 12.24 -17.11 C 21.13 -10.65 C 18.15 -14.44 C 18.15 -10.19 O 16.89 -9.45 O 10.73 -15.89 O 21.75 -12.32 O 23.60 -6.37 C 11.94 -13.74 C 19.97 -7.51 C 19.14 -8.63 C 13.17 -13.04 C 15.69 -15.89 C 16.89 -15.18 C 15.69 -11.58 C 19.48 -13.46 C 14.41 -12.32 O 21.30 -9.38 C 16.89 -10.85 C 11.94 -15.18 C 20.35 -12.32 C 21.30 -7.97 C 22.44 -7.17 C 13.17 -15.89 C 19.93 -9.78 C 14.41 -15.18 C 16.89 -13.74 C 18.15 -13.04 C 19.48 -11.12 C 18.15 -11.58 C 14.41 -13.74 C 15.69 -13.04 32 1 -2 33 2 -1 35 3 -2 4 29 1 5 29 1 30 6 -2 30 7 -1 31 8 -2 34 9 -2 36 10 -1 11 25 2 26 12 -1 27 13 -1 14 29 1 15 18 1 15 26 1 16 17 1 16 28 1 17 31 1 18 37 1 19 20 1 19 32 1 20 33 1 21 25 1 21 38 1 22 27 1 22 34 1 37 23 -1 38 23 -1 24 28 1 24 31 1 25 36 1 26 30 1 27 35 1 28 29 -1 30 32 1 31 35 1 32 37 1 33 34 1 33 38 1 34 36 1 35 36 1 37 38 1', '38 43 H 14.41 -16.29 H 16.89 -12.63 H 19.33 -12.05 C:28 23.72 -7.75 C:27 22.44 -5.78 C:26 14.00 -17.07 C:21 12.24 -17.11 C:29 21.13 -10.65 C:15 18.15 -14.44 C:15 18.15 -10.19 O 16.89 -9.45 O 10.73 -15.89 O 21.75 -12.32 O 23.60 -6.37 C:31 11.94 -13.74 C:26 19.97 -7.51 C:36 19.14 -8.63 C:33 13.17 -13.04 C:21 15.69 -15.89 C:27 16.89 -15.18 C:46 15.69 -11.58 C:46 19.48 -13.46 C:31 14.41 -12.32 O 21.30 -9.38 C:211 16.89 -10.85 C:78 11.94 -15.18 C:73 20.35 -12.32 C:82 21.30 -7.97 C:71 22.44 -7.17 C:41 13.17 -15.89 C:87 19.93 -9.78 C:47 14.41 -15.18 C:48 16.89 -13.74 C:48 18.15 -13.04 C:50 19.48 -11.12 C:61 18.15 -11.58 C:28 14.41 -13.74 C:20 15.69 -13.04 32 1 -2 33 2 -1 35 3 -2 4 29 1 5 29 1 30 6 -2 30 7 -1 31 8 -2 34 9 -2 36 10 -1 11 25 2 26 12 -1 27 13 -1 14 29 1 15 18 1 15 26 1 16 17 1 16 28 1 17 31 1 18 37 1 19 20 1 19 32 1 20 33 1 21 25 1 21 38 1 22 27 1 22 34 1 37 23 -1 38 23 -1 24 28 1 24 31 1 25 36 1 26 30 1 27 35 1 28 29 -1 30 32 1 31 35 1 32 37 1 33 34 1 33 38 1 34 36 1 35 36 1 37 38 1', 'C30H48O5', 488.342, 'P', 'cnc04_303_13', 4734, '', '', '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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(18833, 'Cyclocanthoside A', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]35[CH2:7][C@H:6](O)[C@@:5]2([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@:13]6([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@H:24](O)[C:25]([CH3:27])([CH3:26])O)[C@@H:16](O)[CH2:15][C@@:14]56[CH3:30]', '[H][C@@]35C[C@H](O)[C@@]2([H])[C@](C)(C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]24C[C@@]34CC[C@]6(C)[C@@]([H])([C@H](C)CC[C@H](O)C(C)(C)O)[C@@H](O)C[C@@]56C', '[H][C@@:48]35[CH2:38][C@H:68](O)[C@@:54]2([H])[C@:43]([CH3:20])([CH3:29])[C@@H:89](O[C@@H:108]1O[CH2:67][C@@H:71](O)[C@H:78](O)[C@H:76]1O)[CH2:29][CH2:33][C@@:30]24[CH2:30][C@@:21]34[CH2:26][CH2:33][C@:46]6([CH3:18])[C@@:57]([H])([C@H:29]([CH3:19])[CH2:33][CH2:28][C@H:77](O)[C:73]([CH3:26])([CH3:26])O)[C@@H:72](O)[CH2:47][C@@:47]56[CH3:16]', '47 52 H 18.14 -11.05 H 20.57 -10.49 H 15.69 -14.72 C:21 20.24 -7.18 C:27 25.46 -11.14 C:26 27.32 -9.47 C:29 13.51 -15.55 C:28 15.27 -15.51 C:18 19.42 -8.61 C:30 19.42 -12.85 O 7.16 -11.47 O 25.38 -7.38 O 22.99 -10.75 O 16.90 -15.72 O 7.16 -14.27 O 9.59 -15.67 O 26.83 -10.80 C:22 22.60 -7.93 C:23 23.55 -9.01 C:2 13.21 -12.17 C:1 14.45 -11.47 C:12 18.14 -9.31 C:11 16.94 -10.04 C:105 9.59 -11.47 C:7 18.14 -13.60 C:15 20.72 -11.88 C:19 15.69 -10.75 O 10.78 -12.17 O 12.00 -14.31 C:20 21.18 -8.25 C:104 8.37 -12.17 C:24 24.95 -8.71 C:16 21.59 -10.75 C:6 16.94 -14.31 C:103 8.37 -13.57 C:102 9.59 -14.27 C:3 13.21 -13.60 C:101 10.78 -13.57 C:25 25.89 -9.76 C:4 14.45 -14.31 C:8 18.14 -12.17 C:17 20.72 -9.59 C:13 19.39 -10.04 C:14 19.39 -11.47 C:5 15.69 -13.60 C:9 16.94 -11.47 C:10 15.69 -12.17 41 1 -1 42 2 -2 45 3 -2 30 4 -2 5 39 1 6 39 1 40 7 -1 40 8 -2 43 9 -1 44 10 -2 31 11 -2 32 12 -2 33 13 -1 34 14 -2 35 15 -1 36 16 -2 17 39 1 18 19 1 18 30 1 19 32 1 20 21 1 20 37 1 21 47 1 22 23 1 22 43 1 23 46 1 24 28 1 24 31 1 25 34 1 25 41 1 26 33 1 26 44 1 46 27 -1 47 27 -1 28 38 1 37 29 -1 38 29 -1 30 42 1 31 35 1 32 39 1 33 42 1 34 45 1 35 36 1 36 38 1 37 40 1 40 45 1 41 44 1 41 46 1 42 43 1 43 44 1 45 47 1 46 47 1', '47 52 H 18.14 -11.05 H 20.57 -10.49 H 15.69 -14.72 C 20.24 -7.18 C 25.46 -11.14 C 27.32 -9.47 C 13.51 -15.55 C 15.27 -15.51 C 19.42 -8.61 C 19.42 -12.85 O 7.16 -11.47 O 25.38 -7.38 O 22.99 -10.75 O 16.90 -15.72 O 7.16 -14.27 O 9.59 -15.67 O 26.83 -10.80 C 22.60 -7.93 C 23.55 -9.01 C 13.21 -12.17 C 14.45 -11.47 C 18.14 -9.31 C 16.94 -10.04 C 9.59 -11.47 C 18.14 -13.60 C 20.72 -11.88 C 15.69 -10.75 O 10.78 -12.17 O 12.00 -14.31 C 21.18 -8.25 C 8.37 -12.17 C 24.95 -8.71 C 21.59 -10.75 C 16.94 -14.31 C 8.37 -13.57 C 9.59 -14.27 C 13.21 -13.60 C 10.78 -13.57 C 25.89 -9.76 C 14.45 -14.31 C 18.14 -12.17 C 20.72 -9.59 C 19.39 -10.04 C 19.39 -11.47 C 15.69 -13.60 C 16.94 -11.47 C 15.69 -12.17 41 1 -1 42 2 -2 45 3 -2 30 4 -2 5 39 1 6 39 1 40 7 -1 40 8 -2 43 9 -1 44 10 -2 31 11 -2 32 12 -2 33 13 -1 34 14 -2 35 15 -1 36 16 -2 17 39 1 18 19 1 18 30 1 19 32 1 20 21 1 20 37 1 21 47 1 22 23 1 22 43 1 23 46 1 24 28 1 24 31 1 25 34 1 25 41 1 26 33 1 26 44 1 46 27 -1 47 27 -1 28 38 1 37 29 -1 38 29 -1 30 42 1 31 35 1 32 39 1 33 42 1 34 45 1 35 36 1 36 38 1 37 40 1 40 45 1 41 44 1 41 46 1 42 43 1 43 44 1 45 47 1 46 47 1', '47 52 H 18.14 -11.05 H 20.57 -10.49 H 15.69 -14.72 C:19 20.24 -7.18 C:26 25.46 -11.14 C:26 27.32 -9.47 C:20 13.51 -15.55 C:29 15.27 -15.51 C:18 19.42 -8.61 C:16 19.42 -12.85 O 7.16 -11.47 O 25.38 -7.38 O 22.99 -10.75 O 16.90 -15.72 O 7.16 -14.27 O 9.59 -15.67 O 26.83 -10.80 C:33 22.60 -7.93 C:28 23.55 -9.01 C:29 13.21 -12.17 C:33 14.45 -11.47 C:33 18.14 -9.31 C:26 16.94 -10.04 C:67 9.59 -11.47 C:38 18.14 -13.60 C:47 20.72 -11.88 C:30 15.69 -10.75 O 10.78 -12.17 O 12.00 -14.31 C:29 21.18 -8.25 C:71 8.37 -12.17 C:77 24.95 -8.71 C:72 21.59 -10.75 C:68 16.94 -14.31 C:78 8.37 -13.57 C:76 9.59 -14.27 C:89 13.21 -13.60 C:108 10.78 -13.57 C:73 25.89 -9.76 C:43 14.45 -14.31 C:48 18.14 -12.17 C:57 20.72 -9.59 C:46 19.39 -10.04 C:47 19.39 -11.47 C:54 15.69 -13.60 C:21 16.94 -11.47 C:30 15.69 -12.17 41 1 -1 42 2 -2 45 3 -2 30 4 -2 5 39 1 6 39 1 40 7 -1 40 8 -2 43 9 -1 44 10 -2 31 11 -2 32 12 -2 33 13 -1 34 14 -2 35 15 -1 36 16 -2 17 39 1 18 19 1 18 30 1 19 32 1 20 21 1 20 37 1 21 47 1 22 23 1 22 43 1 23 46 1 24 28 1 24 31 1 25 34 1 25 41 1 26 33 1 26 44 1 46 27 -1 47 27 -1 28 38 1 37 29 -1 38 29 -1 30 42 1 31 35 1 32 39 1 33 42 1 34 45 1 35 36 1 36 38 1 37 40 1 40 45 1 41 44 1 41 46 1 42 43 1 43 44 1 45 47 1 46 47 1', 'C35H60O9', 624.393, 'P', 'cnc04_303_56', 4734, '', '', '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
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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
(18844, 'Cyclounifolioside D', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]35[CH2:7][C@H:6](O)[C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@:13]6([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O)[C:25]([CH3:26])([CH3:27])O)[C@@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]56[CH3:30]', '[H][C@@]35C[C@H](O)[C@@]2([H])[C@@](C)(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]24C[C@@]34CC[C@]6(C)[C@@]([H])([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@H](OC(C)=O)C[C@@]56C', '[H][C@@:46]35[CH2:33][C@H:68](O)[C@@:54]2([H])[C@@:42]([CH3:27])([CH3:20])[C@@H:89](O[C@@H:107]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]1O)[CH2:30][CH2:32][C@@:29]24[CH2:29][C@@:21]34[CH2:26][CH2:33][C@:47]6([CH3:18])[C@@:55]([H])([C@H:32]([CH3:18])[CH2:34][CH2:30][C@@H:79](O)[C:73]([CH3:26])([CH3:26])O)[C@@H:75](O[C:171]([CH3:21])=O)[CH2:47][C@@:46]56[CH3:17]', '52 57 H 18.13 -11.04 H 20.55 -10.48 H 15.67 -14.71 C:16002 25.06 -11.94 C:21 20.22 -7.18 C:26 27.31 -9.46 C:27 25.46 -11.13 C:28 15.25 -15.50 C:29 13.49 -15.54 C:18 19.41 -8.61 C:30 19.41 -12.84 O 22.97 -13.21 O 10.77 -9.36 O 25.38 -7.38 O 16.89 -15.71 O 7.16 -14.26 O 7.16 -11.45 O 9.55 -15.66 O 26.83 -10.79 C:106 9.55 -10.06 C:22 22.59 -7.93 C:23 23.54 -9.00 C:2 13.19 -12.16 C:1 14.43 -11.45 C:12 18.13 -9.30 C:11 16.92 -10.03 C:7 18.13 -13.59 C:15 20.70 -11.87 C:19 15.67 -10.74 O 22.97 -10.74 O 10.77 -12.16 O 11.99 -14.30 C:16001 23.66 -11.99 C:20 21.17 -8.25 C:24 24.94 -8.71 C:6 16.92 -14.30 C:103 8.37 -13.56 C:104 8.37 -12.16 C:102 9.55 -14.26 C:105 9.55 -11.45 C:101 10.77 -13.56 C:3 13.19 -13.59 C:16 21.58 -10.74 C:25 25.89 -9.75 C:4 14.43 -14.30 C:8 18.13 -12.16 C:17 20.70 -9.58 C:13 19.38 -10.03 C:14 19.38 -11.45 C:5 15.67 -13.59 C:9 16.92 -11.45 C:10 15.67 -12.16 46 1 -1 47 2 -2 50 3 -2 4 33 1 34 5 -2 6 44 1 7 44 1 45 8 -2 45 9 -1 48 10 -1 49 11 -2 12 33 2 13 20 1 35 14 -1 36 15 -2 37 16 -1 38 17 -2 39 18 -2 19 44 1 40 20 -1 21 22 1 21 34 1 22 35 1 23 24 1 23 42 1 24 52 1 25 26 1 25 48 1 26 51 1 27 36 1 27 46 1 28 43 1 28 49 1 51 29 -1 52 29 -1 30 33 1 43 30 -1 31 40 1 31 41 1 41 32 -1 42 32 -1 34 47 1 35 44 1 36 50 1 37 38 1 37 39 1 38 40 1 39 41 1 42 45 1 43 47 1 45 50 1 46 49 1 46 51 1 47 48 1 48 49 1 50 52 1 51 52 1', '52 57 H 18.13 -11.04 H 20.55 -10.48 H 15.67 -14.71 C 25.06 -11.94 C 20.22 -7.18 C 27.31 -9.46 C 25.46 -11.13 C 15.25 -15.50 C 13.49 -15.54 C 19.41 -8.61 C 19.41 -12.84 O 22.97 -13.21 O 10.77 -9.36 O 25.38 -7.38 O 16.89 -15.71 O 7.16 -14.26 O 7.16 -11.45 O 9.55 -15.66 O 26.83 -10.79 C 9.55 -10.06 C 22.59 -7.93 C 23.54 -9.00 C 13.19 -12.16 C 14.43 -11.45 C 18.13 -9.30 C 16.92 -10.03 C 18.13 -13.59 C 20.70 -11.87 C 15.67 -10.74 O 22.97 -10.74 O 10.77 -12.16 O 11.99 -14.30 C 23.66 -11.99 C 21.17 -8.25 C 24.94 -8.71 C 16.92 -14.30 C 8.37 -13.56 C 8.37 -12.16 C 9.55 -14.26 C 9.55 -11.45 C 10.77 -13.56 C 13.19 -13.59 C 21.58 -10.74 C 25.89 -9.75 C 14.43 -14.30 C 18.13 -12.16 C 20.70 -9.58 C 19.38 -10.03 C 19.38 -11.45 C 15.67 -13.59 C 16.92 -11.45 C 15.67 -12.16 46 1 -1 47 2 -2 50 3 -2 4 33 1 34 5 -2 6 44 1 7 44 1 45 8 -2 45 9 -1 48 10 -1 49 11 -2 12 33 2 13 20 1 35 14 -1 36 15 -2 37 16 -1 38 17 -2 39 18 -2 19 44 1 40 20 -1 21 22 1 21 34 1 22 35 1 23 24 1 23 42 1 24 52 1 25 26 1 25 48 1 26 51 1 27 36 1 27 46 1 28 43 1 28 49 1 51 29 -1 52 29 -1 30 33 1 43 30 -1 31 40 1 31 41 1 41 32 -1 42 32 -1 34 47 1 35 44 1 36 50 1 37 38 1 37 39 1 38 40 1 39 41 1 42 45 1 43 47 1 45 50 1 46 49 1 46 51 1 47 48 1 48 49 1 50 52 1 51 52 1', '52 57 H 18.13 -11.04 H 20.55 -10.48 H 15.67 -14.71 C:21 25.06 -11.94 C:18 20.22 -7.18 C:26 27.31 -9.46 C:26 25.46 -11.13 C:27 15.25 -15.50 C:20 13.49 -15.54 C:18 19.41 -8.61 C:17 19.41 -12.84 O 22.97 -13.21 O 10.77 -9.36 O 25.38 -7.38 O 16.89 -15.71 O 7.16 -14.26 O 7.16 -11.45 O 9.55 -15.66 O 26.83 -10.79 C:63 9.55 -10.06 C:34 22.59 -7.93 C:30 23.54 -9.00 C:30 13.19 -12.16 C:32 14.43 -11.45 C:33 18.13 -9.30 C:26 16.92 -10.03 C:33 18.13 -13.59 C:47 20.70 -11.87 C:29 15.67 -10.74 O 22.97 -10.74 O 10.77 -12.16 O 11.99 -14.30 C:171 23.66 -11.99 C:32 21.17 -8.25 C:79 24.94 -8.71 C:68 16.92 -14.30 C:79 8.37 -13.56 C:72 8.37 -12.16 C:76 9.55 -14.26 C:78 9.55 -11.45 C:107 10.77 -13.56 C:89 13.19 -13.59 C:75 21.58 -10.74 C:73 25.89 -9.75 C:42 14.43 -14.30 C:46 18.13 -12.16 C:55 20.70 -9.58 C:47 19.38 -10.03 C:46 19.38 -11.45 C:54 15.67 -13.59 C:21 16.92 -11.45 C:29 15.67 -12.16 46 1 -1 47 2 -2 50 3 -2 4 33 1 34 5 -2 6 44 1 7 44 1 45 8 -2 45 9 -1 48 10 -1 49 11 -2 12 33 2 13 20 1 35 14 -1 36 15 -2 37 16 -1 38 17 -2 39 18 -2 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(18845, 'Cycloexoside', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]35[CH2:7][C@H:6](O)[C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O[C:102001]([CH3:102002])=O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@@:13]6([CH3:18])[C@@:14]5([CH3:30])[CH2:15][C@H:16](O)[C@:17]6([H])[C@@:20]7([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:27])([CH3:26])O)O7', '[H][C@@]35C[C@H](O)[C@@]2([H])[C@@](C)(C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O)CC[C@@]24C[C@@]34CC[C@@]6(C)[C@@]5(C)C[C@H](O)[C@]6([H])[C@@]7(C)CC[C@@H](C(C)(C)O)O7', 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-16.37 C:75 24.97 -8.87 C:78 27.27 -7.28 C:89 11.95 -15.68 C:82 21.30 -8.47 C:107 9.53 -15.68 C:99 24.86 -7.47 C:78 22.44 -7.67 C:43 13.17 -16.40 C:87 19.93 -10.29 C:47 16.89 -14.27 C:45 18.16 -12.10 C:46 18.16 -13.57 C:58 19.48 -11.63 C:54 14.41 -15.68 C:21 15.70 -13.57 C:30 14.41 -14.27 52 1 -1 55 2 -2 56 3 -2 4 49 1 5 49 1 50 6 -2 50 7 -1 51 8 -2 53 9 -1 54 10 -2 11 20 1 36 12 -2 37 13 -2 38 14 -1 39 15 -1 40 16 -2 41 17 -1 42 18 -2 43 19 -1 44 20 -2 21 23 1 21 46 1 22 24 1 22 45 1 23 51 1 24 58 1 25 26 1 25 53 1 26 57 1 27 31 1 27 36 1 28 37 1 28 52 1 29 38 1 29 54 1 57 30 -1 58 30 -1 31 47 1 32 44 1 32 48 1 45 33 -1 47 33 -1 48 34 -2 34 49 1 35 46 1 35 51 1 36 39 1 37 56 1 38 55 1 39 42 1 40 41 1 40 43 1 41 44 1 42 47 1 43 48 1 45 50 1 46 49 -1 50 56 1 51 55 1 52 54 1 52 57 1 53 54 1 53 55 1 56 58 1 57 58 1', 'C41H68O14', 784.454, 'P', 'cnc04_303_82', 4734, '', '', '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
(18853, 'Cycloaraloside C (astrailienin A)', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]46[CH2:7][C@H:6](O)[C@@:5]3([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O[C@@H:201]2O[CH2:204][C@:203](O)([CH2:205]O)[C@H:202]2O)[CH2:2][CH2:1][C@@:10]35[CH2:19][C@@:9]45[CH2:11][CH2:12][C@@:13]7([CH3:18])[C@@:14]6([CH3:30])[CH2:15][C@H:16](O)[C@:17]7([H])[C@@:20]8([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])O)O8', '[H][C@@]46C[C@H](O)[C@@]3([H])[C@](C)(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@](O)(CO)[C@H]2O)CC[C@@]35C[C@@]45CC[C@@]7(C)[C@@]6(C)C[C@H](O)[C@]7([H])[C@@]8(C)CC[C@@H](C(C)(C)O)O8', '[H][C@@:47]46[CH2:39][C@H:68](O)[C@@:54]3([H])[C@:43]([CH3:20])([CH3:29])[C@@H:89](O[C@@H:105]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:79]1O[C@@H:111]2O[CH2:76][C@:81](O)([CH2:66]O)[C@H:78]2O)[CH2:30][CH2:32][C@@:29]35[CH2:30][C@@:21]45[CH2:26][CH2:33][C@@:45]7([CH3:22])[C@@:46]6([CH3:17])[CH2:47][C@H:73](O)[C@:58]7([H])[C@@:87]8([CH3:28])[CH2:35][CH2:26][C@@H:82]([C:71]([CH3:27])([CH3:29])O)O8', '58 65 H 20.69 -10.70 H 18.22 -14.34 H 23.16 -10.11 C:26 26.24 -3.83 C:27 27.52 -5.80 C:29 16.05 -15.17 C:28 17.80 -15.13 C:21 24.92 -8.69 C:18 21.93 -8.23 C:30 21.96 -12.50 O 13.39 -9.04 O 7.00 -17.31 O 19.51 -15.34 O 25.55 -10.38 O 9.70 -11.12 O 9.70 -13.94 O 11.81 -18.34 O 27.40 -4.42 O 9.90 -19.00 C:106 12.16 -9.71 C:205 8.09 -18.19 C:23 23.77 -5.56 C:2 15.76 -11.82 C:22 22.94 -6.68 C:1 16.97 -11.12 C:12 20.69 -8.89 C:11 19.51 -9.64 C:204 8.70 -16.48 C:7 20.69 -13.22 C:15 23.28 -11.53 C:19 18.22 -10.38 O 9.64 -15.44 O 13.34 -11.82 O 14.56 -13.91 O 12.13 -15.31 O 25.09 -7.42 C:6 19.51 -13.94 C:16 24.15 -10.38 C:104 10.92 -11.82 C:103 10.92 -13.22 C:105 12.13 -11.12 C:202 10.77 -17.40 C:3 15.76 -13.22 C:24 25.09 -6.01 C:201 10.92 -16.01 C:101 13.34 -13.22 C:102 12.13 -13.91 C:25 26.24 -5.22 C:4 16.97 -13.94 C:203 9.40 -17.69 C:20 23.73 -7.82 C:8 20.69 -11.82 C:13 21.96 -9.64 C:14 21.96 -11.12 C:5 18.22 -13.22 C:17 23.28 -9.16 C:9 19.51 -11.12 C:10 18.22 -11.82 52 1 -1 55 2 -2 56 3 -2 4 48 1 5 48 1 49 6 -1 49 7 -2 51 8 -2 53 9 -1 54 10 -2 11 20 1 12 21 1 37 13 -2 38 14 -1 39 15 -2 40 16 -1 42 17 -2 18 48 1 50 19 -2 41 20 -1 50 21 -1 22 24 1 22 44 1 23 25 1 23 43 1 24 51 1 25 58 1 26 27 1 26 53 1 27 57 1 28 32 1 28 50 1 29 37 1 29 52 1 30 38 1 30 54 1 57 31 -1 58 31 -1 32 45 1 33 41 1 33 46 1 43 34 -1 46 34 -1 45 35 -1 47 35 -2 36 44 1 36 51 1 37 55 1 38 56 1 39 40 1 39 41 1 40 47 1 42 45 1 42 50 1 43 49 1 44 48 -1 46 47 1 49 55 1 51 56 1 52 54 1 52 57 1 53 54 1 53 56 1 55 58 1 57 58 1', '58 65 H 20.69 -10.70 H 18.22 -14.34 H 23.16 -10.11 C 26.24 -3.83 C 27.52 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-17.40 C:89 15.76 -13.22 C:82 25.09 -6.01 C:111 10.92 -16.01 C:105 13.34 -13.22 C:79 12.13 -13.91 C:71 26.24 -5.22 C:43 16.97 -13.94 C:81 9.40 -17.69 C:87 23.73 -7.82 C:47 20.69 -11.82 C:45 21.96 -9.64 C:46 21.96 -11.12 C:54 18.22 -13.22 C:58 23.28 -9.16 C:21 19.51 -11.12 C:29 18.22 -11.82 52 1 -1 55 2 -2 56 3 -2 4 48 1 5 48 1 49 6 -1 49 7 -2 51 8 -2 53 9 -1 54 10 -2 11 20 1 12 21 1 37 13 -2 38 14 -1 39 15 -2 40 16 -1 42 17 -2 18 48 1 50 19 -2 41 20 -1 50 21 -1 22 24 1 22 44 1 23 25 1 23 43 1 24 51 1 25 58 1 26 27 1 26 53 1 27 57 1 28 32 1 28 50 1 29 37 1 29 52 1 30 38 1 30 54 1 57 31 -1 58 31 -1 32 45 1 33 41 1 33 46 1 43 34 -1 46 34 -1 45 35 -1 47 35 -2 36 44 1 36 51 1 37 55 1 38 56 1 39 40 1 39 41 1 40 47 1 42 45 1 42 50 1 43 49 1 44 48 -1 46 47 1 49 55 1 51 56 1 52 54 1 52 57 1 53 54 1 53 56 1 55 58 1 57 58 1', 'C41H68O14', 784.454, 'P', 'cnc04_303_83', 4734, '', '', '1', 47, NULL, NULL),
(18854, 'Cyclogaleginoside E', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]35[CH2:7][C@H:6](O)[C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@@:13]6([CH3:18])[C@@:14]5([CH3:30])[CH2:15][C@H:16](O)[C@:17]6([H])[C@:20]8([CH3:21])[CH2:22][CH2:23][C@H:24]([C:25]([CH3:27])([CH3:26])O[C@@H:201]7O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]7O)O8', '[H][C@@]35C[C@H](O)[C@@]2([H])[C@@](C)(C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]24C[C@@]34CC[C@@]6(C)[C@@]5(C)C[C@H](O)[C@]6([H])[C@]8(C)CC[C@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O8', '[H][C@@:49]35[CH2:39][C@H:70](O)[C@@:55]2([H])[C@@:43]([CH3:29])([CH3:21])[C@@H:90](O[C@@H:107]1O[CH2:67][C@@H:71](O)[C@H:78](O)[C@H:76]1O)[CH2:31][CH2:33][C@@:31]24[CH2:32][C@@:22]34[CH2:27][CH2:34][C@@:48]6([CH3:21])[C@@:47]5([CH3:17])[CH2:49][C@H:74](O)[C@:56]6([H])[C@:89]8([CH3:25])[CH2:38][CH2:24][C@H:86]([C:79]([CH3:24])([CH3:25])O[C@@H:99]7O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]7O)O8', '58 65 H 16.89 -13.15 H 19.36 -12.57 H 14.41 -16.80 C:27 23.72 -8.25 C:26 22.44 -6.28 C:28 14.00 -17.59 C:29 12.24 -17.63 C:21 21.13 -11.16 C:18 18.13 -10.70 C:30 18.16 -14.95 O 28.30 -5.09 O 5.89 -13.57 O 15.70 -17.80 O 21.75 -12.84 O 5.89 -16.40 O 26.36 -10.87 O 28.64 -9.27 O 8.33 -17.77 O 23.81 -9.67 C:206 28.42 -6.48 C:23 19.97 -8.01 C:2 11.95 -14.27 C:22 19.14 -9.14 C:1 13.17 -13.57 C:12 16.89 -11.36 C:11 15.70 -12.10 C:105 8.33 -13.57 C:7 16.89 -15.68 C:15 19.48 -13.98 C:19 14.41 -12.84 O 9.53 -14.27 O 26.01 -6.68 O 10.75 -16.37 O 23.60 -6.87 O 21.30 -9.89 C:104 7.10 -14.27 C:6 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