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
(15448, 'Propindilactone E', '', 'Terpenoids', 'Triterpenoids', 'Schiartanes', '[H][C@@:23]6([C@@H:22](O)[C@H:20]([CH3:21])[C@@:17]4([H])[CH2:16][CH2:15][C@@:14]5(O)[C@:8]3([H])[CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])O[C@:1]1([H])[CH2:2][C:3](=O)O[C@@:10]12[CH2:19][C@@:9]3(O)[CH2:11][CH2:12][C@:13]45[CH3:18])[CH:24]=[C:25]([CH3:27])[C:26](=O)O6', '[H][C@@]6([C@@H](O)[C@H](C)[C@@]4([H])CC[C@@]5(O)[C@]3([H])CC[C@@]2([H])[C@@](C)(C)O[C@]1([H])CC(=O)O[C@@]12C[C@@]3(O)CC[C@]45C)C=C(C)C(=O)O6', '[H][C@@:82]6([C@@H:73](O)[C@H:42]([CH3:15])[C@@:48]4([H])[CH2:27][CH2:33][C@@:86]5(O)[C@:50]3([H])[CH2:25][CH2:28][C@@:59]2([H])[C@@:85]([CH3:30])([CH3:24])O[C@:82]1([H])[CH2:37][C:176](=O)O[C@@:100]12[CH2:47][C@@:75]3(O)[CH2:39][CH2:30][C@:48]45[CH3:16])[CH:149]=[C:130]([CH3:11])[C:175](=O)O6', '42 47 H 21.49 -7.55 H 10.43 -14.01 H 17.92 -10.04 H 13.77 -13.26 H 15.39 -10.61 C:27 21.92 -12.09 C:21 17.57 -6.60 C:28 13.77 -16.21 C:29 12.25 -16.84 C:18 16.73 -8.08 O 10.17 -10.09 O 24.42 -10.04 O 20.47 -6.06 O 14.13 -12.42 O 16.73 -12.56 C:24 20.66 -9.92 C:16 18.95 -10.31 C:6 14.66 -14.23 C:7 15.54 -13.16 C:12 15.39 -8.82 C:11 14.13 -9.57 C:15 18.07 -11.46 C:2 10.08 -12.62 C:19 12.84 -11.60 O 22.43 -8.37 O 12.10 -11.60 O 11.07 -14.99 C:25 21.92 -10.61 C:3 10.75 -11.35 C:26 23.00 -9.70 C:20 18.53 -7.69 C:22 20.00 -7.38 C:4 12.54 -15.35 C:23 20.97 -8.50 C:1 11.07 -13.67 C:17 18.07 -9.11 C:5 13.32 -14.16 C:8 15.39 -11.74 C:13 16.73 -9.57 C:9 14.13 -11.02 C:14 16.73 -11.02 C:10 12.35 -13.02 34 1 -2 35 2 -1 36 3 -2 37 4 -2 38 5 -1 6 28 1 31 7 -1 33 8 -2 33 9 -1 39 10 -1 11 29 2 12 30 2 32 13 -2 40 14 -2 41 15 -2 16 28 2 16 34 1 17 22 1 17 36 1 18 19 1 18 37 1 19 38 1 20 21 1 20 39 1 21 40 1 22 41 1 23 29 1 23 35 1 24 40 1 24 42 1 25 30 1 25 34 1 26 29 1 42 26 -2 27 33 1 27 35 1 28 30 1 31 32 1 31 36 1 32 34 1 33 37 1 35 42 1 36 39 1 37 42 1 38 40 1 38 41 1 39 41 1', '42 47 H 21.49 -7.55 H 10.43 -14.01 H 17.92 -10.04 H 13.77 -13.26 H 15.39 -10.61 C 21.92 -12.09 C 17.57 -6.60 C 13.77 -16.21 C 12.25 -16.84 C 16.73 -8.08 O 10.17 -10.09 O 24.42 -10.04 O 20.47 -6.06 O 14.13 -12.42 O 16.73 -12.56 C 20.66 -9.92 C 18.95 -10.31 C 14.66 -14.23 C 15.54 -13.16 C 15.39 -8.82 C 14.13 -9.57 C 18.07 -11.46 C 10.08 -12.62 C 12.84 -11.60 O 22.43 -8.37 O 12.10 -11.60 O 11.07 -14.99 C 21.92 -10.61 C 10.75 -11.35 C 23.00 -9.70 C 18.53 -7.69 C 20.00 -7.38 C 12.54 -15.35 C 20.97 -8.50 C 11.07 -13.67 C 18.07 -9.11 C 13.32 -14.16 C 15.39 -11.74 C 16.73 -9.57 C 14.13 -11.02 C 16.73 -11.02 C 12.35 -13.02 34 1 -2 35 2 -1 36 3 -2 37 4 -2 38 5 -1 6 28 1 31 7 -1 33 8 -2 33 9 -1 39 10 -1 11 29 2 12 30 2 32 13 -2 40 14 -2 41 15 -2 16 28 2 16 34 1 17 22 1 17 36 1 18 19 1 18 37 1 19 38 1 20 21 1 20 39 1 21 40 1 22 41 1 23 29 1 23 35 1 24 40 1 24 42 1 25 30 1 25 34 1 26 29 1 42 26 -2 27 33 1 27 35 1 28 30 1 31 32 1 31 36 1 32 34 1 33 37 1 35 42 1 36 39 1 37 42 1 38 40 1 38 41 1 39 41 1', '42 47 H 21.49 -7.55 H 10.43 -14.01 H 17.92 -10.04 H 13.77 -13.26 H 15.39 -10.61 C:11 21.92 -12.09 C:15 17.57 -6.60 C:30 13.77 -16.21 C:24 12.25 -16.84 C:16 16.73 -8.08 O 10.17 -10.09 O 24.42 -10.04 O 20.47 -6.06 O 14.13 -12.42 O 16.73 -12.56 C:149 20.66 -9.92 C:27 18.95 -10.31 C:28 14.66 -14.23 C:25 15.54 -13.16 C:30 15.39 -8.82 C:39 14.13 -9.57 C:33 18.07 -11.46 C:37 10.08 -12.62 C:47 12.84 -11.60 O 22.43 -8.37 O 12.10 -11.60 O 11.07 -14.99 C:130 21.92 -10.61 C:176 10.75 -11.35 C:175 23.00 -9.70 C:42 18.53 -7.69 C:73 20.00 -7.38 C:85 12.54 -15.35 C:82 20.97 -8.50 C:82 11.07 -13.67 C:48 18.07 -9.11 C:59 13.32 -14.16 C:50 15.39 -11.74 C:48 16.73 -9.57 C:75 14.13 -11.02 C:86 16.73 -11.02 C:100 12.35 -13.02 34 1 -2 35 2 -1 36 3 -2 37 4 -2 38 5 -1 6 28 1 31 7 -1 33 8 -2 33 9 -1 39 10 -1 11 29 2 12 30 2 32 13 -2 40 14 -2 41 15 -2 16 28 2 16 34 1 17 22 1 17 36 1 18 19 1 18 37 1 19 38 1 20 21 1 20 39 1 21 40 1 22 41 1 23 29 1 23 35 1 24 40 1 24 42 1 25 30 1 25 34 1 26 29 1 42 26 -2 27 33 1 27 35 1 28 30 1 31 32 1 31 36 1 32 34 1 33 37 1 35 42 1 36 39 1 37 42 1 38 40 1 38 41 1 39 41 1', 'C29H42O8', 518.345, 'P', 'np08_1228_1', 3891, '', '', '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
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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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(15484, '', '20,25-epoxydammarane', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:30])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:17]([H])([C@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24](O)[C@:25]([CH3:26])([CH3:27])O1)[CH2:16][CH2:15][C@:14]23[CH3:18])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@:4]5([CH3:28])[CH3:29]', '[H][C@@]45CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]([H])([C@]1(C)CC[C@@H](O)[C@](C)(C)O1)CC[C@]23C)[C@@]4(C)CC[C@@H](O)[C@]5(C)C', '[H][C@@:50]45[CH2:18][CH2:35][C@:41]3([CH3:16])[C@:50]([H])([CH2:21][CH2:28][C@:43]2([H])[C@@:50]([H])([C@:76]1([CH3:25])[CH2:37][CH2:25][C@@H:79](O)[C@:73]([CH3:23])([CH3:27])O1)[CH2:26][CH2:31][C@:50]23[CH3:17])[C@@:37]4([CH3:16])[CH2:34][CH2:25][C@@H:76](O)[C@:38]5([CH3:28])[CH3:22]', '37 41 H 14.68 -16.22 H 19.50 -12.02 H 18.49 -10.42 H 15.97 -13.96 C:26 23.50 -8.69 C:27 23.18 -7.02 C:28 14.17 -17.10 C:29 12.65 -17.05 C:21 21.32 -10.62 C:19 14.68 -12.22 C:18 18.51 -14.40 C:30 17.23 -12.22 O 21.55 -5.71 O 11.02 -15.88 C:23 19.76 -7.34 C:2 12.21 -13.67 C:22 19.34 -8.68 C:1 13.45 -12.93 C:6 15.97 -15.83 C:12 17.23 -10.79 C:16 20.67 -12.22 C:11 15.97 -11.52 C:7 17.23 -15.14 C:15 19.83 -13.35 O 21.63 -9.42 C:24 21.12 -7.04 C:3 12.21 -15.14 C:25 22.05 -8.08 C:4 13.45 -15.83 C:20 20.27 -9.72 C:5 14.68 -15.14 C:17 19.83 -11.09 C:13 18.49 -11.52 C:9 15.97 -12.93 C:10 14.68 -13.67 C:14 18.49 -12.93 C:8 17.23 -13.67 31 1 -2 32 2 -2 33 3 -1 34 4 -2 28 5 -1 28 6 -2 29 7 -2 29 8 -1 30 9 -1 35 10 -1 36 11 -2 37 12 -1 26 13 -1 27 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 30 1 18 35 1 19 23 1 19 31 1 20 22 1 20 33 1 21 24 1 21 32 1 22 34 1 23 37 1 24 36 1 25 28 1 25 30 1 26 28 1 27 29 1 29 31 1 30 32 1 31 35 1 32 33 1 33 36 1 34 35 1 34 37 1 36 37 1', '37 41 H 14.68 -16.22 H 19.50 -12.02 H 18.49 -10.42 H 15.97 -13.96 C 23.50 -8.69 C 23.18 -7.02 C 14.17 -17.10 C 12.65 -17.05 C 21.32 -10.62 C 14.68 -12.22 C 18.51 -14.40 C 17.23 -12.22 O 21.55 -5.71 O 11.02 -15.88 C 19.76 -7.34 C 12.21 -13.67 C 19.34 -8.68 C 13.45 -12.93 C 15.97 -15.83 C 17.23 -10.79 C 20.67 -12.22 C 15.97 -11.52 C 17.23 -15.14 C 19.83 -13.35 O 21.63 -9.42 C 21.12 -7.04 C 12.21 -15.14 C 22.05 -8.08 C 13.45 -15.83 C 20.27 -9.72 C 14.68 -15.14 C 19.83 -11.09 C 18.49 -11.52 C 15.97 -12.93 C 14.68 -13.67 C 18.49 -12.93 C 17.23 -13.67 31 1 -2 32 2 -2 33 3 -1 34 4 -2 28 5 -1 28 6 -2 29 7 -2 29 8 -1 30 9 -1 35 10 -1 36 11 -2 37 12 -1 26 13 -1 27 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 30 1 18 35 1 19 23 1 19 31 1 20 22 1 20 33 1 21 24 1 21 32 1 22 34 1 23 37 1 24 36 1 25 28 1 25 30 1 26 28 1 27 29 1 29 31 1 30 32 1 31 35 1 32 33 1 33 36 1 34 35 1 34 37 1 36 37 1', '37 41 H 14.68 -16.22 H 19.50 -12.02 H 18.49 -10.42 H 15.97 -13.96 C:23 23.50 -8.69 C:27 23.18 -7.02 C:28 14.17 -17.10 C:22 12.65 -17.05 C:25 21.32 -10.62 C:16 14.68 -12.22 C:17 18.51 -14.40 C:16 17.23 -12.22 O 21.55 -5.71 O 11.02 -15.88 C:25 19.76 -7.34 C:25 12.21 -13.67 C:37 19.34 -8.68 C:34 13.45 -12.93 C:18 15.97 -15.83 C:28 17.23 -10.79 C:26 20.67 -12.22 C:21 15.97 -11.52 C:35 17.23 -15.14 C:31 19.83 -13.35 O 21.63 -9.42 C:79 21.12 -7.04 C:76 12.21 -15.14 C:73 22.05 -8.08 C:38 13.45 -15.83 C:76 20.27 -9.72 C:50 14.68 -15.14 C:50 19.83 -11.09 C:43 18.49 -11.52 C:50 15.97 -12.93 C:37 14.68 -13.67 C:50 18.49 -12.93 C:41 17.23 -13.67 31 1 -2 32 2 -2 33 3 -1 34 4 -2 28 5 -1 28 6 -2 29 7 -2 29 8 -1 30 9 -1 35 10 -1 36 11 -2 37 12 -1 26 13 -1 27 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 30 1 18 35 1 19 23 1 19 31 1 20 22 1 20 33 1 21 24 1 21 32 1 22 34 1 23 37 1 24 36 1 25 28 1 25 30 1 26 28 1 27 29 1 29 31 1 30 32 1 31 35 1 32 33 1 33 36 1 34 35 1 34 37 1 36 37 1', 'C30H52O3', 460.351, 'C', 'bse08_584_10', 3898, '', '', '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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-16.22 C 15.00 -13.33 C 12.57 -13.44 C 13.80 -14.09 C 25.50 -5.51 C 18.66 -13.93 C 23.69 -9.59 C 19.89 -13.25 C 25.05 -9.16 C 21.20 -11.02 C 23.69 -11.02 C 22.45 -11.76 C 25.50 -7.78 C 19.89 -11.76 60 1 -1 61 2 -2 62 3 -2 63 4 -2 5 41 2 6 41 1 42 7 -1 59 8 -2 59 9 -1 64 10 -2 65 11 -1 12 23 2 43 13 -2 44 14 -1 15 45 1 46 16 -2 47 17 -1 48 18 -1 49 19 -2 50 20 -1 21 51 1 66 22 -2 67 23 -1 24 29 1 24 52 1 25 26 1 25 60 1 26 63 1 27 30 1 27 61 1 28 31 1 28 62 1 29 67 1 30 65 1 31 64 1 32 35 1 32 43 1 33 36 1 33 44 1 34 45 1 34 66 1 35 53 1 36 55 1 37 42 1 37 54 1 52 38 -1 55 38 -1 53 39 -1 56 39 -1 54 40 -2 57 40 -2 41 58 1 42 46 1 43 47 1 44 56 1 45 58 1 46 48 1 47 49 1 48 50 1 49 53 1 50 54 1 51 58 1 51 66 1 52 59 1 55 57 1 56 57 1 59 61 1 60 62 1 60 64 1 61 67 1 62 66 1 63 65 1 63 67 1 64 65 1', '67 74 H 23.69 -8.49 H 19.89 -14.30 H 24.71 -10.10 H 21.20 -12.06 C:113 23.71 -3.85 C:24 26.03 -3.14 C:19 18.66 -15.51 C:27 19.39 -15.20 C:17 17.84 -15.14 C:17 23.71 -12.50 C:16 22.45 -10.30 O 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(15492, '', '(20S)-3b,20,21ξ,25-Tetrahydroxy-21,24ξ-cyclodammarane 3-O-{[a-l-Rhamnopyranosyl(1-->2)][b-d-xylopyranosyl(1-->3)]-b-d-6-O-acetylglucopyranoside', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]48[CH2:6][CH2:7][C@:8]3([CH3:30])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:17]([H])([C@@:20]1(O)[CH2:22][CH2:23][CH:24]([C:25]([CH3:26])([CH3:27])O)[CH:21]1O)[CH2:16][CH2:15][C@:14]23[CH3:18])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[C@H:105]([CH2:106]O[C:106001]([CH3:106002])=O)[C@@H:104](O)[C@H:103](O[C@@H:301]5O[CH2:305][C@@H:304](O)[C@H:303](O)[C@H:302]5O)[C@H:102]6O[C@@H:201]7O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]7O)[C@@:4]8([CH3:29])[CH3:28]', '[H][C@@]48CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]([H])([C@@]1(O)CCC(C(C)(C)O)C1O)CC[C@]23C)[C@@]4(C)CC[C@H](O[C@@H]6O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@]8(C)C', 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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
(15499, 'Floralginsenoside C', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:17]3([C@:20]([CH3:21])([CH2:22][CH2:23][CH:24](OO)[C:25](=[CH2:26])[CH3:27])O[C@@H:101]2O[C@H:105]([CH2:106]O[C@@H:201]1O[CH2:205][C@H:204](O)[C@H:203](O)[C@H:202]1O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:16][CH2:15][C@:14]6([CH3:18])[C@:13]3([H])[C@H:12](O)[CH2:11][C@:9]5([H])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]4([H])[C@@H:6](O)[CH2:7][C@:8]56[CH3:30]', '[H][C@]3([C@](C)(CCC(OO)C(=C)C)O[C@@H]2O[C@H](CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]6(C)[C@]3([H])[C@H](O)C[C@]5([H])[C@@]4(C)CC[C@H](O)[C@](C)(C)[C@]4([H])[C@@H](O)C[C@]56C', 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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
(15507, 'Floralginsenoside O', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]58[CH2:6][CH2:7][C@:8]3([CH3:30])[C@:9]([H])([CH2:11][C@@H:12](O)[C@:13]4([H])[C@@:17]([H])([C@:20]([CH3:21])([CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])OO)O[C@@H:301]2O[C@H:305]([CH2:306]O[C@@H:401]1O[C@@H:404]([CH2:405]O)[C@H:403](O)[C@H:402]1O)[C@@H:304](O)[C@H:303](O)[C@H:302]2O)[CH2:16][CH2:15][C@@:14]34[CH3:18])[C@@:10]5([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[C@H:105]([CH2:106]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([CH3:28])[CH3:29]', '[H][C@@]58CC[C@]3(C)[C@]([H])(C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC=CC(C)(C)OO)O[C@@H]2O[C@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]34C)[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[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', '[H][C@@:57]58[CH2:19][CH2:35][C@:40]3([CH3:16])[C@:50]([H])([CH2:31][C@@H:71](O)[C@:50]4([H])[C@@:52]([H])([C@:83]([CH3:23])([CH2:40][CH:127]=[CH:138][C:81]([CH3:25])([CH3:25])OO)O[C@@H:98]2O[C@H:76]([CH2:68]O[C@@H:110]1O[C@@H:86]([CH2:63]O)[C@H:78](O)[C@H:83]1O)[C@@H:72](O)[C@H:78](O)[C@H:75]2O)[CH2:26][CH2:31][C@@:52]34[CH3:17])[C@@:37]5([CH3:16])[CH2:39][CH2:27][C@H:89](O[C@@H:105]6O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:84]6O[C@@H:106]7O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:77]7O)[C@:40]8([CH3:28])[CH3:17]', '81 88 H 16.48 -16.38 H 21.33 -12.17 H 17.88 -14.10 H 20.29 -10.59 C:26 28.14 -11.10 C:27 26.28 -12.73 C:28 15.96 -17.23 C:29 14.40 -17.23 C:21 21.81 -8.54 C:19 16.48 -12.37 C:30 19.07 -12.37 C:18 20.29 -14.55 O 5.52 -16.22 O 28.95 -4.40 O 11.58 -11.38 O 27.21 -13.81 O 19.07 -9.53 O 7.94 -21.81 O 17.53 -5.78 O 5.52 -20.43 O 19.61 -3.91 O 26.15 -0.98 O 7.89 -13.48 O 10.36 -20.43 O 23.29 -2.20 O 18.08 -8.54 O 7.89 -16.29 C:23 24.39 -10.59 C:24 25.80 -10.35 C:206 5.52 -17.62 C:405 28.14 -3.26 C:106 10.36 -12.08 C:22 23.49 -9.53 C:2 13.94 -13.81 C:1 15.20 -13.07 C:6 17.88 -15.99 C:16 22.50 -12.37 C:7 19.07 -15.27 C:15 21.66 -13.48 C:306 22.28 -4.80 C:11 17.88 -11.65 O 27.66 -12.46 O 23.60 -5.29 O 25.99 -4.61 O 7.94 -17.62 O 11.53 -14.02 O 21.50 -7.11 O 12.79 -16.05 O 10.36 -17.62 O 20.76 -9.41 C:12 19.07 -10.94 C:203 7.94 -20.43 C:303 18.83 -6.22 C:204 6.73 -19.72 C:304 19.89 -5.29 C:403 25.80 -2.34 C:104 9.09 -14.17 C:202 9.15 -19.72 C:402 24.49 -2.90 C:302 19.07 -7.60 C:103 9.09 -15.57 C:205 6.73 -18.32 C:404 26.74 -3.40 C:105 10.36 -13.48 C:305 21.25 -5.78 C:3 13.94 -15.27 C:401 24.63 -4.31 C:201 9.15 -18.32 C:301 20.46 -8.05 C:101 11.53 -15.41 C:102 10.36 -16.22 C:25 26.74 -11.38 C:4 15.20 -16.05 C:5 16.48 -15.27 C:17 21.66 -11.23 C:9 17.88 -13.07 C:20 22.09 -9.85 C:10 16.48 -13.81 C:8 19.07 -13.81 C:14 20.29 -13.07 C:13 20.29 -11.65 74 1 -2 75 2 -2 76 3 -2 81 4 -1 5 72 1 6 72 1 73 7 -2 73 8 -1 77 9 -2 78 10 -1 79 11 -1 80 12 -2 13 30 1 14 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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
(15518, 'Foliasalacin C', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C:13]2=[C:18]1[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][C@H:15](O)[C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@]3(C)[C@]([H])(CCC2=C1C[C@](C)(C)CC[C@]1(C)C[C@H](O)[C@]23C)[C@@]4(C)CC[C@H](O)[C@@]5(C)C', '[H][C@@:55]45[CH2:19][CH2:38][C@:42]3([CH3:18])[C@:51]([H])([CH2:22][CH2:25][C:134]2=[C:133]1[CH2:39][C@:33]([CH3:24])([CH3:32])[CH2:35][CH2:39][C@:36]1([CH3:24])[CH2:46][C@H:67](O)[C@:51]23[CH3:14])[C@@:37]4([CH3:16])[CH2:39][CH2:27][C@H:79](O)[C@@:39]5([CH3:16])[CH3:28]', '34 38 H 15.35 -15.29 H 16.64 -13.09 C:30 20.75 -6.67 C:29 22.36 -6.67 C:28 21.55 -9.24 C:24 13.38 -16.12 C:23 14.86 -16.17 C:25 15.35 -11.38 C:26 17.87 -11.38 C:27 19.12 -13.52 O 11.77 -14.98 O 20.30 -14.19 C:12 17.87 -9.99 C:2 12.95 -12.80 C:11 16.64 -10.67 C:21 22.77 -8.55 C:22 22.77 -9.99 C:1 14.14 -12.07 C:6 16.64 -14.98 C:7 17.87 -14.24 C:19 20.30 -8.55 C:16 21.55 -12.07 C:13 19.12 -10.67 C:18 20.30 -9.99 C:3 12.95 -14.24 C:15 20.30 -12.80 C:20 21.55 -7.83 C:17 21.55 -10.67 C:4 14.14 -14.98 C:5 15.35 -14.24 C:9 16.64 -12.07 C:10 15.35 -12.80 C:8 17.87 -12.80 C:14 19.12 -12.07 30 1 -2 31 2 -2 27 3 -1 27 4 -2 28 5 -1 29 6 -1 29 7 -2 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 15 1 13 23 1 14 18 1 14 25 1 15 31 1 16 17 1 16 27 1 17 28 1 18 32 1 19 20 1 19 30 1 20 33 1 21 24 1 21 27 1 22 26 1 22 28 1 23 24 2 23 34 1 24 28 1 25 29 1 26 34 1 29 30 1 30 32 1 31 32 1 31 33 1 33 34 1', '34 38 H 15.35 -15.29 H 16.64 -13.09 C 20.75 -6.67 C 22.36 -6.67 C 21.55 -9.24 C 13.38 -16.12 C 14.86 -16.17 C 15.35 -11.38 C 17.87 -11.38 C 19.12 -13.52 O 11.77 -14.98 O 20.30 -14.19 C 17.87 -9.99 C 12.95 -12.80 C 16.64 -10.67 C 22.77 -8.55 C 22.77 -9.99 C 14.14 -12.07 C 16.64 -14.98 C 17.87 -14.24 C 20.30 -8.55 C 21.55 -12.07 C 19.12 -10.67 C 20.30 -9.99 C 12.95 -14.24 C 20.30 -12.80 C 21.55 -7.83 C 21.55 -10.67 C 14.14 -14.98 C 15.35 -14.24 C 16.64 -12.07 C 15.35 -12.80 C 17.87 -12.80 C 19.12 -12.07 30 1 -2 31 2 -2 27 3 -1 27 4 -2 28 5 -1 29 6 -1 29 7 -2 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 15 1 13 23 1 14 18 1 14 25 1 15 31 1 16 17 1 16 27 1 17 28 1 18 32 1 19 20 1 19 30 1 20 33 1 21 24 1 21 27 1 22 26 1 22 28 1 23 24 2 23 34 1 24 28 1 25 29 1 26 34 1 29 30 1 30 32 1 31 32 1 31 33 1 33 34 1', '34 38 H 15.35 -15.29 H 16.64 -13.09 C:24 20.75 -6.67 C:32 22.36 -6.67 C:24 21.55 -9.24 C:16 13.38 -16.12 C:28 14.86 -16.17 C:16 15.35 -11.38 C:18 17.87 -11.38 C:14 19.12 -13.52 O 11.77 -14.98 O 20.30 -14.19 C:25 17.87 -9.99 C:27 12.95 -12.80 C:22 16.64 -10.67 C:35 22.77 -8.55 C:39 22.77 -9.99 C:39 14.14 -12.07 C:19 16.64 -14.98 C:38 17.87 -14.24 C:39 20.30 -8.55 C:46 21.55 -12.07 C:134 19.12 -10.67 C:133 20.30 -9.99 C:79 12.95 -14.24 C:67 20.30 -12.80 C:33 21.55 -7.83 C:36 21.55 -10.67 C:39 14.14 -14.98 C:55 15.35 -14.24 C:51 16.64 -12.07 C:37 15.35 -12.80 C:42 17.87 -12.80 C:51 19.12 -12.07 30 1 -2 31 2 -2 27 3 -1 27 4 -2 28 5 -1 29 6 -1 29 7 -2 32 8 -1 33 9 -1 34 10 -2 25 11 -1 26 12 -2 13 15 1 13 23 1 14 18 1 14 25 1 15 31 1 16 17 1 16 27 1 17 28 1 18 32 1 19 20 1 19 30 1 20 33 1 21 24 1 21 27 1 22 26 1 22 28 1 23 24 2 23 34 1 24 28 1 25 29 1 26 34 1 29 30 1 30 32 1 31 32 1 31 33 1 33 34 1', 'C30H50O2', 442.336, 'C', 'cpb08_915_8', 3905, '', '', '1', 1, NULL, NULL),
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(15528, 'Cylindrictone A', '(12b,23E)-12,20-Dihydroxydammara-23,25-dien-3-one', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]2([CH3:30])[C@:9]([H])([CH2:11][C@@H:12](O)[C@:13]1([H])[C@@:17]([H])([C@@:20]([CH3:21])(O)[CH2:22][CH:23]=[CH:24][C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@:14]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]4([CH3:29])[CH3:28]', '[H][C@@]34CC[C@]2(C)[C@]([H])(C[C@@H](O)[C@]1([H])[C@@]([H])([C@@](C)(O)CC=CC(=C)C)CC[C@]12C)[C@@]3(C)CCC(=O)[C@@]4(C)C', '[H][C@@:55]34[CH2:20][CH2:34][C@:40]2([CH3:16])[C@:49]([H])([CH2:31][C@@H:71](O)[C@:48]1([H])[C@@:52]([H])([C@@:74]([CH3:28])(O)[CH2:39][CH:125]=[CH:137][C:142](=[CH2:115])[CH3:19])[CH2:26][CH2:31][C@:52]12[CH3:17])[C@@:37]3([CH3:15])[CH2:40][CH2:34][C:218](=O)[C@@:47]4([CH3:21])[CH3:27]', '37 40 H 13.21 -14.91 H 18.04 -10.70 H 14.50 -12.65 H 17.02 -9.10 C:26 23.07 -11.27 C:27 24.91 -9.63 C:29 11.17 -15.74 C:28 12.70 -15.79 C:21 18.52 -7.02 C:19 13.21 -10.90 C:30 15.76 -10.90 C:18 17.04 -13.09 O 9.55 -14.58 O 15.76 -8.07 O 17.48 -7.95 C:23 21.16 -9.16 C:24 22.56 -8.86 C:2 10.73 -12.35 C:22 20.22 -8.10 C:1 11.97 -11.61 C:6 14.50 -14.53 C:16 19.22 -10.90 C:7 15.76 -13.83 C:15 18.37 -12.03 C:11 14.50 -10.19 C:25 23.51 -9.94 C:3 10.73 -13.83 C:12 15.76 -9.47 C:4 11.97 -14.53 C:20 18.81 -8.39 C:5 13.21 -13.83 C:17 18.37 -9.76 C:9 14.50 -11.61 C:13 17.02 -10.19 C:10 13.21 -12.35 C:8 15.76 -12.35 C:14 17.02 -11.61 31 1 -2 32 2 -2 33 3 -2 34 4 -1 5 26 2 6 26 1 29 7 -1 29 8 -2 30 9 -2 35 10 -1 36 11 -1 37 12 -2 13 27 2 28 14 -1 30 15 -1 16 17 2 16 19 1 17 26 1 18 20 1 18 27 1 19 30 1 20 35 1 21 23 1 21 31 1 22 24 1 22 32 1 23 36 1 24 37 1 25 28 1 25 33 1 27 29 1 28 34 1 29 31 1 30 32 1 31 35 1 32 34 1 33 35 1 33 36 1 34 37 1 36 37 1', '37 40 H 13.21 -14.91 H 18.04 -10.70 H 14.50 -12.65 H 17.02 -9.10 C 23.07 -11.27 C 24.91 -9.63 C 11.17 -15.74 C 12.70 -15.79 C 18.52 -7.02 C 13.21 -10.90 C 15.76 -10.90 C 17.04 -13.09 O 9.55 -14.58 O 15.76 -8.07 O 17.48 -7.95 C 21.16 -9.16 C 22.56 -8.86 C 10.73 -12.35 C 20.22 -8.10 C 11.97 -11.61 C 14.50 -14.53 C 19.22 -10.90 C 15.76 -13.83 C 18.37 -12.03 C 14.50 -10.19 C 23.51 -9.94 C 10.73 -13.83 C 15.76 -9.47 C 11.97 -14.53 C 18.81 -8.39 C 13.21 -13.83 C 18.37 -9.76 C 14.50 -11.61 C 17.02 -10.19 C 13.21 -12.35 C 15.76 -12.35 C 17.02 -11.61 31 1 -2 32 2 -2 33 3 -2 34 4 -1 5 26 2 6 26 1 29 7 -1 29 8 -2 30 9 -2 35 10 -1 36 11 -1 37 12 -2 13 27 2 28 14 -1 30 15 -1 16 17 2 16 19 1 17 26 1 18 20 1 18 27 1 19 30 1 20 35 1 21 23 1 21 31 1 22 24 1 22 32 1 23 36 1 24 37 1 25 28 1 25 33 1 27 29 1 28 34 1 29 31 1 30 32 1 31 35 1 32 34 1 33 35 1 33 36 1 34 37 1 36 37 1', '37 40 H 13.21 -14.91 H 18.04 -10.70 H 14.50 -12.65 H 17.02 -9.10 C:115 23.07 -11.27 C:19 24.91 -9.63 C:21 11.17 -15.74 C:27 12.70 -15.79 C:28 18.52 -7.02 C:15 13.21 -10.90 C:16 15.76 -10.90 C:17 17.04 -13.09 O 9.55 -14.58 O 15.76 -8.07 O 17.48 -7.95 C:125 21.16 -9.16 C:137 22.56 -8.86 C:34 10.73 -12.35 C:39 20.22 -8.10 C:40 11.97 -11.61 C:20 14.50 -14.53 C:26 19.22 -10.90 C:34 15.76 -13.83 C:31 18.37 -12.03 C:31 14.50 -10.19 C:142 23.51 -9.94 C:218 10.73 -13.83 C:71 15.76 -9.47 C:47 11.97 -14.53 C:74 18.81 -8.39 C:55 13.21 -13.83 C:52 18.37 -9.76 C:49 14.50 -11.61 C:48 17.02 -10.19 C:37 13.21 -12.35 C:40 15.76 -12.35 C:52 17.02 -11.61 31 1 -2 32 2 -2 33 3 -2 34 4 -1 5 26 2 6 26 1 29 7 -1 29 8 -2 30 9 -2 35 10 -1 36 11 -1 37 12 -2 13 27 2 28 14 -1 30 15 -1 16 17 2 16 19 1 17 26 1 18 20 1 18 27 1 19 30 1 20 35 1 21 23 1 21 31 1 22 24 1 22 32 1 23 36 1 24 37 1 25 28 1 25 33 1 27 29 1 28 34 1 29 31 1 30 32 1 31 35 1 32 34 1 33 35 1 33 36 1 34 37 1 36 37 1', 'C30H48O3', 456.351, 'M', 'hca08_1578_1', 3910, '', '', '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
(15529, 'Cylindrictone B', '(5a,12b,17b)-12-Hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]gonan-3-one', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]2([CH3:30])[C@:9]([H])([CH2:11][C@@H:12](O)[C@:13]3([H])[C@@:17]([H])([C@:20]1([CH3:21])[CH:22]=[CH:23][C:24](=O)O1)[CH2:16][CH2:15][C@@:14]23[CH3:18])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]5([CH3:28])[CH3:29]', '[H][C@@]45CC[C@]2(C)[C@]([H])(C[C@@H](O)[C@]3([H])[C@@]([H])([C@]1(C)C=CC(=O)O1)CC[C@@]23C)[C@@]4(C)CCC(=O)[C@]5(C)C', '[H][C@@:55]45[CH2:19][CH2:34][C@:39]2([CH3:16])[C@:49]([H])([CH2:32][C@@H:71](O)[C@:50]3([H])[C@@:47]([H])([C@:92]1([CH3:23])[CH:161]=[CH:121][C:172](=O)O1)[CH2:27][CH2:31][C@@:52]23[CH3:17])[C@@:37]4([CH3:15])[CH2:40][CH2:34][C:218](=O)[C@:47]5([CH3:26])[CH3:21]', '35 39 H 15.02 -15.57 H 19.87 -11.35 H 16.32 -13.30 H 18.85 -9.74 C:28 14.51 -16.45 C:29 12.98 -16.40 C:21 19.25 -8.81 C:19 15.02 -11.55 C:30 17.58 -11.55 C:18 18.87 -13.75 O 23.09 -6.35 O 11.36 -15.24 O 17.58 -8.71 C:23 20.64 -6.75 C:22 19.81 -7.89 C:2 12.54 -13.00 C:1 13.78 -12.26 C:6 16.32 -15.19 C:16 21.05 -11.55 C:7 17.58 -14.49 C:15 20.20 -12.68 C:11 16.32 -10.84 O 21.98 -8.59 C:24 21.98 -7.18 C:3 12.54 -14.49 C:12 17.58 -10.11 C:4 13.78 -15.19 C:20 20.64 -9.03 C:5 15.02 -14.49 C:17 20.20 -10.40 C:9 16.32 -12.26 C:10 15.02 -13.00 C:8 17.58 -13.00 C:14 18.85 -12.26 C:13 18.85 -10.84 29 1 -2 30 2 -2 31 3 -2 35 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 25 2 26 13 -1 14 15 2 14 24 1 15 28 1 16 17 1 16 25 1 17 32 1 18 20 1 18 29 1 19 21 1 19 30 1 20 33 1 21 34 1 22 26 1 22 31 1 23 24 1 23 28 1 25 27 1 26 35 1 27 29 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', '35 39 H 15.02 -15.57 H 19.87 -11.35 H 16.32 -13.30 H 18.85 -9.74 C 14.51 -16.45 C 12.98 -16.40 C 19.25 -8.81 C 15.02 -11.55 C 17.58 -11.55 C 18.87 -13.75 O 23.09 -6.35 O 11.36 -15.24 O 17.58 -8.71 C 20.64 -6.75 C 19.81 -7.89 C 12.54 -13.00 C 13.78 -12.26 C 16.32 -15.19 C 21.05 -11.55 C 17.58 -14.49 C 20.20 -12.68 C 16.32 -10.84 O 21.98 -8.59 C 21.98 -7.18 C 12.54 -14.49 C 17.58 -10.11 C 13.78 -15.19 C 20.64 -9.03 C 15.02 -14.49 C 20.20 -10.40 C 16.32 -12.26 C 15.02 -13.00 C 17.58 -13.00 C 18.85 -12.26 C 18.85 -10.84 29 1 -2 30 2 -2 31 3 -2 35 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 25 2 26 13 -1 14 15 2 14 24 1 15 28 1 16 17 1 16 25 1 17 32 1 18 20 1 18 29 1 19 21 1 19 30 1 20 33 1 21 34 1 22 26 1 22 31 1 23 24 1 23 28 1 25 27 1 26 35 1 27 29 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', '35 39 H 15.02 -15.57 H 19.87 -11.35 H 16.32 -13.30 H 18.85 -9.74 C:26 14.51 -16.45 C:21 12.98 -16.40 C:23 19.25 -8.81 C:15 15.02 -11.55 C:16 17.58 -11.55 C:17 18.87 -13.75 O 23.09 -6.35 O 11.36 -15.24 O 17.58 -8.71 C:121 20.64 -6.75 C:161 19.81 -7.89 C:34 12.54 -13.00 C:40 13.78 -12.26 C:19 16.32 -15.19 C:27 21.05 -11.55 C:34 17.58 -14.49 C:31 20.20 -12.68 C:32 16.32 -10.84 O 21.98 -8.59 C:172 21.98 -7.18 C:218 12.54 -14.49 C:71 17.58 -10.11 C:47 13.78 -15.19 C:92 20.64 -9.03 C:55 15.02 -14.49 C:47 20.20 -10.40 C:49 16.32 -12.26 C:37 15.02 -13.00 C:39 17.58 -13.00 C:52 18.85 -12.26 C:50 18.85 -10.84 29 1 -2 30 2 -2 31 3 -2 35 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 25 2 26 13 -1 14 15 2 14 24 1 15 28 1 16 17 1 16 25 1 17 32 1 18 20 1 18 29 1 19 21 1 19 30 1 20 33 1 21 34 1 22 26 1 22 31 1 23 24 1 23 28 1 25 27 1 26 35 1 27 29 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', 'C27H40O4', 428.318, 'M', 'hca08_1578_2', 3910, '', '', '1', 1, NULL, NULL),
(15530, 'Cylindrictone C', '(5a,12b,17b)-12-Hydroxy-17-[(2S,5S)-5-methoxy-2-methyltetrahydrofuran-2-yl]-4,4,8,10,14-pentamethylgonan-3-one', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]2([CH3:30])[C@:9]([H])([CH2:11][C@@H:12](O)[C@:13]3([H])[C@@:17]([H])([C@:20]1([CH3:21])[CH2:22][CH2:23][C@@H:24](O[CH3:24001])O1)[CH2:16][CH2:15][C@@:14]23[CH3:18])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]5([CH3:29])[CH3:28]', '[H][C@@]45CC[C@]2(C)[C@]([H])(C[C@@H](O)[C@]3([H])[C@@]([H])([C@]1(C)CC[C@@H](OC)O1)CC[C@@]23C)[C@@]4(C)CCC(=O)[C@@]5(C)C', '[H][C@@:56]45[CH2:21][CH2:35][C@:41]2([CH3:17])[C@:51]([H])([CH2:33][C@@H:72](O)[C@:51]3([H])[C@@:51]([H])([C@:80]1([CH3:31])[CH2:29][CH2:34][C@@H:107](O[CH3:55])O1)[CH2:31][CH2:33][C@@:53]23[CH3:18])[C@@:38]4([CH3:16])[CH2:41][CH2:35][C:221](=O)[C@@:48]5([CH3:21])[CH3:27]', '36 40 H 14.41 -15.62 H 19.26 -11.40 H 15.71 -13.35 H 18.24 -9.79 C:24001 23.77 -6.95 C:29 12.37 -16.45 C:28 13.90 -16.50 C:21 18.64 -8.86 C:19 14.41 -11.60 C:30 16.97 -11.60 C:18 18.26 -13.80 O 10.75 -15.29 O 16.97 -8.76 C:2 11.93 -13.05 C:23 20.03 -6.80 C:1 13.17 -12.31 C:22 19.20 -7.94 C:6 15.71 -15.24 C:16 20.44 -11.60 C:7 16.97 -14.54 C:15 19.59 -12.73 C:11 15.71 -10.89 O 22.48 -6.40 O 21.37 -8.64 C:3 11.93 -14.54 C:12 16.97 -10.16 C:24 21.37 -7.23 C:4 13.17 -15.24 C:20 20.03 -9.08 C:5 14.41 -14.54 C:17 19.59 -10.45 C:9 15.71 -12.31 C:10 14.41 -13.05 C:8 16.97 -13.05 C:14 18.24 -12.31 C:13 18.24 -10.89 30 1 -2 31 2 -2 32 3 -2 36 4 -1 5 23 1 28 6 -1 28 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -1 14 16 1 14 25 1 15 17 1 15 27 1 16 33 1 17 29 1 18 20 1 18 30 1 19 21 1 19 31 1 20 34 1 21 35 1 22 26 1 22 32 1 27 23 -1 24 27 1 24 29 1 25 28 1 26 36 1 28 30 1 29 31 1 30 33 1 31 36 1 32 33 1 32 34 1 34 35 1 35 36 1', '36 40 H 14.41 -15.62 H 19.26 -11.40 H 15.71 -13.35 H 18.24 -9.79 C 23.77 -6.95 C 12.37 -16.45 C 13.90 -16.50 C 18.64 -8.86 C 14.41 -11.60 C 16.97 -11.60 C 18.26 -13.80 O 10.75 -15.29 O 16.97 -8.76 C 11.93 -13.05 C 20.03 -6.80 C 13.17 -12.31 C 19.20 -7.94 C 15.71 -15.24 C 20.44 -11.60 C 16.97 -14.54 C 19.59 -12.73 C 15.71 -10.89 O 22.48 -6.40 O 21.37 -8.64 C 11.93 -14.54 C 16.97 -10.16 C 21.37 -7.23 C 13.17 -15.24 C 20.03 -9.08 C 14.41 -14.54 C 19.59 -10.45 C 15.71 -12.31 C 14.41 -13.05 C 16.97 -13.05 C 18.24 -12.31 C 18.24 -10.89 30 1 -2 31 2 -2 32 3 -2 36 4 -1 5 23 1 28 6 -1 28 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -1 14 16 1 14 25 1 15 17 1 15 27 1 16 33 1 17 29 1 18 20 1 18 30 1 19 21 1 19 31 1 20 34 1 21 35 1 22 26 1 22 32 1 27 23 -1 24 27 1 24 29 1 25 28 1 26 36 1 28 30 1 29 31 1 30 33 1 31 36 1 32 33 1 32 34 1 34 35 1 35 36 1', '36 40 H 14.41 -15.62 H 19.26 -11.40 H 15.71 -13.35 H 18.24 -9.79 C:55 23.77 -6.95 C:21 12.37 -16.45 C:27 13.90 -16.50 C:31 18.64 -8.86 C:16 14.41 -11.60 C:17 16.97 -11.60 C:18 18.26 -13.80 O 10.75 -15.29 O 16.97 -8.76 C:35 11.93 -13.05 C:34 20.03 -6.80 C:41 13.17 -12.31 C:29 19.20 -7.94 C:21 15.71 -15.24 C:31 20.44 -11.60 C:35 16.97 -14.54 C:33 19.59 -12.73 C:33 15.71 -10.89 O 22.48 -6.40 O 21.37 -8.64 C:221 11.93 -14.54 C:72 16.97 -10.16 C:107 21.37 -7.23 C:48 13.17 -15.24 C:80 20.03 -9.08 C:56 14.41 -14.54 C:51 19.59 -10.45 C:51 15.71 -12.31 C:38 14.41 -13.05 C:41 16.97 -13.05 C:53 18.24 -12.31 C:51 18.24 -10.89 30 1 -2 31 2 -2 32 3 -2 36 4 -1 5 23 1 28 6 -1 28 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -1 14 16 1 14 25 1 15 17 1 15 27 1 16 33 1 17 29 1 18 20 1 18 30 1 19 21 1 19 31 1 20 34 1 21 35 1 22 26 1 22 32 1 27 23 -1 24 27 1 24 29 1 25 28 1 26 36 1 28 30 1 29 31 1 30 33 1 31 36 1 32 33 1 32 34 1 34 35 1 35 36 1', 'C28H46O4', 446.329, 'M', 'hca08_1578_3', 3910, '', '', '1', 1, NULL, NULL),
(15531, 'Cylindrictone D', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:12]35[CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:30])[C@:14]6([CH3:18])[CH2:15][CH2:16][C@:17]([H])([C@@:20]4([CH3:21])[CH2:22][CH2:23][C@@H:24](O3)O4)[C@@:13]56[H]', '[H][C@]35C[C@]2([H])[C@@]1(C)CCC(=O)[C@@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]6(C)CC[C@]([H])([C@@]4(C)CC[C@@H](O3)O4)[C@@]56[H]', '[H][C@:74]35[CH2:31][C@:49]2([H])[C@@:37]1([CH3:16])[CH2:40][CH2:34][C:218](=O)[C@@:47]([CH3:21])([CH3:27])[C@:55]1([H])[CH2:20][CH2:34][C@@:40]2([CH3:16])[C@:50]6([CH3:17])[CH2:32][CH2:24][C@:53]([H])([C@@:88]4([CH3:27])[CH2:29][CH2:37][C@@H:102](O3)O4)[C@@:47]56[H]', '35 40 H 17.29 -9.31 H 15.47 -15.15 H 20.31 -10.94 H 16.77 -12.88 H 19.31 -9.31 C:29 13.43 -15.98 C:28 14.96 -16.03 C:21 22.71 -9.10 C:19 15.47 -11.13 C:30 18.03 -11.13 C:18 19.31 -13.33 O 11.79 -14.80 C:2 12.98 -12.58 C:23 19.75 -6.77 C:1 14.24 -11.85 C:22 20.97 -7.48 C:6 16.77 -14.80 C:16 21.50 -11.13 C:7 18.03 -14.06 C:15 20.63 -12.27 C:11 16.77 -10.44 O 17.69 -8.35 O 19.61 -8.35 C:3 12.98 -14.06 C:24 18.39 -7.13 C:4 14.24 -14.80 C:12 18.03 -9.70 C:20 21.33 -8.84 C:5 15.47 -14.06 C:17 20.63 -10.00 C:9 16.77 -11.85 C:10 15.47 -12.58 C:8 18.03 -12.58 C:14 19.31 -11.85 C:13 19.31 -10.44 27 1 -2 29 2 -2 30 3 -2 31 4 -2 35 5 -1 26 6 -1 26 7 -2 28 8 -1 32 9 -1 33 10 -1 34 11 -2 12 24 2 13 15 1 13 24 1 14 16 1 14 25 1 15 32 1 16 28 1 17 19 1 17 29 1 18 20 1 18 30 1 19 33 1 20 34 1 21 27 1 21 31 1 22 25 1 22 27 1 25 23 -2 23 28 1 24 26 1 26 29 1 27 35 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', '35 40 H 17.29 -9.31 H 15.47 -15.15 H 20.31 -10.94 H 16.77 -12.88 H 19.31 -9.31 C 13.43 -15.98 C 14.96 -16.03 C 22.71 -9.10 C 15.47 -11.13 C 18.03 -11.13 C 19.31 -13.33 O 11.79 -14.80 C 12.98 -12.58 C 19.75 -6.77 C 14.24 -11.85 C 20.97 -7.48 C 16.77 -14.80 C 21.50 -11.13 C 18.03 -14.06 C 20.63 -12.27 C 16.77 -10.44 O 17.69 -8.35 O 19.61 -8.35 C 12.98 -14.06 C 18.39 -7.13 C 14.24 -14.80 C 18.03 -9.70 C 21.33 -8.84 C 15.47 -14.06 C 20.63 -10.00 C 16.77 -11.85 C 15.47 -12.58 C 18.03 -12.58 C 19.31 -11.85 C 19.31 -10.44 27 1 -2 29 2 -2 30 3 -2 31 4 -2 35 5 -1 26 6 -1 26 7 -2 28 8 -1 32 9 -1 33 10 -1 34 11 -2 12 24 2 13 15 1 13 24 1 14 16 1 14 25 1 15 32 1 16 28 1 17 19 1 17 29 1 18 20 1 18 30 1 19 33 1 20 34 1 21 27 1 21 31 1 22 25 1 22 27 1 25 23 -2 23 28 1 24 26 1 26 29 1 27 35 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', '35 40 H 17.29 -9.31 H 15.47 -15.15 H 20.31 -10.94 H 16.77 -12.88 H 19.31 -9.31 C:21 13.43 -15.98 C:27 14.96 -16.03 C:27 22.71 -9.10 C:16 15.47 -11.13 C:16 18.03 -11.13 C:17 19.31 -13.33 O 11.79 -14.80 C:34 12.98 -12.58 C:37 19.75 -6.77 C:40 14.24 -11.85 C:29 20.97 -7.48 C:20 16.77 -14.80 C:24 21.50 -11.13 C:34 18.03 -14.06 C:32 20.63 -12.27 C:31 16.77 -10.44 O 17.69 -8.35 O 19.61 -8.35 C:218 12.98 -14.06 C:102 18.39 -7.13 C:47 14.24 -14.80 C:74 18.03 -9.70 C:88 21.33 -8.84 C:55 15.47 -14.06 C:53 20.63 -10.00 C:49 16.77 -11.85 C:37 15.47 -12.58 C:40 18.03 -12.58 C:50 19.31 -11.85 C:47 19.31 -10.44 27 1 -2 29 2 -2 30 3 -2 31 4 -2 35 5 -1 26 6 -1 26 7 -2 28 8 -1 32 9 -1 33 10 -1 34 11 -2 12 24 2 13 15 1 13 24 1 14 16 1 14 25 1 15 32 1 16 28 1 17 19 1 17 29 1 18 20 1 18 30 1 19 33 1 20 34 1 21 27 1 21 31 1 22 25 1 22 27 1 25 23 -2 23 28 1 24 26 1 26 29 1 27 35 1 28 30 1 29 32 1 30 35 1 31 32 1 31 33 1 33 34 1 34 35 1', 'C27H42O3', 414.327, 'C', 'hca08_1578_4', 3910, '', '', '1', 1, NULL, NULL),
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