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
(8002, '', '(16R)-Ent-3a-hydroxykauran-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C@@H:16]([CH3:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CC[C@H](O)[C@@]3(C)C)[C@@H](C)C4=O', '[H][C@:48]23[CH2:18][CH2:34][C@@:53]14[CH2:37][C@H:35]([CH2:25][CH2:18][C@@:52]1([H])[C@:40]2([CH3:17])[CH2:32][CH2:25][C@H:76](O)[C@@:38]3([CH3:28])[CH3:22])[C@@H:48]([CH3:10])[C:225]4=O', '24 27 H 14.33 -13.39 H 15.54 -11.26 C:17 20.52 -9.52 C:18 14.05 -14.15 C:19 12.07 -14.06 C:20 14.31 -9.57 O 18.91 -12.55 O 10.65 -13.06 C:2 11.87 -10.98 C:12 16.77 -8.15 C:11 15.54 -8.85 C:1 13.08 -10.28 C:6 15.54 -13.11 C:7 16.77 -12.38 C:14 17.98 -10.28 C:15 18.34 -11.28 C:16 19.14 -9.85 C:3 11.87 -12.38 C:13 17.98 -8.85 C:4 13.08 -13.11 C:5 14.31 -12.38 C:9 15.54 -10.28 C:10 14.31 -10.98 C:8 16.77 -10.98 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -1 9 12 1 9 18 1 10 11 1 10 19 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 19 15 -2 24 15 -2 16 17 1 16 24 1 17 19 1 18 20 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 14.33 -13.39 H 15.54 -11.26 C 20.52 -9.52 C 14.05 -14.15 C 12.07 -14.06 C 14.31 -9.57 O 18.91 -12.55 O 10.65 -13.06 C 11.87 -10.98 C 16.77 -8.15 C 15.54 -8.85 C 13.08 -10.28 C 15.54 -13.11 C 16.77 -12.38 C 17.98 -10.28 C 18.34 -11.28 C 19.14 -9.85 C 11.87 -12.38 C 17.98 -8.85 C 13.08 -13.11 C 14.31 -12.38 C 15.54 -10.28 C 14.31 -10.98 C 16.77 -10.98 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -1 9 12 1 9 18 1 10 11 1 10 19 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 19 15 -2 24 15 -2 16 17 1 16 24 1 17 19 1 18 20 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 14.33 -13.39 H 15.54 -11.26 C:10 20.52 -9.52 C:28 14.05 -14.15 C:22 12.07 -14.06 C:17 14.31 -9.57 O 18.91 -12.55 O 10.65 -13.06 C:25 11.87 -10.98 C:25 16.77 -8.15 C:18 15.54 -8.85 C:32 13.08 -10.28 C:18 15.54 -13.11 C:34 16.77 -12.38 C:37 17.98 -10.28 C:225 18.34 -11.28 C:48 19.14 -9.85 C:76 11.87 -12.38 C:35 17.98 -8.85 C:38 13.08 -13.11 C:48 14.31 -12.38 C:52 15.54 -10.28 C:40 14.31 -10.98 C:53 16.77 -10.98 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -1 9 12 1 9 18 1 10 11 1 10 19 1 11 22 1 12 23 1 13 14 1 13 21 1 14 24 1 19 15 -2 24 15 -2 16 17 1 16 24 1 17 19 1 18 20 1 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'C', 'cpb02_808_5', 1602, '', '', '1', 36, NULL, NULL),
(8003, '', 'ent-11a-Hydroxy-16-kaurene', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=[CH2:17])[C@@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@]14CC(=C)[C@@H](C[C@H](O)[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)C4', '[H][C@:56]23[CH2:20][CH2:41][C@:43]14[CH2:49][C:157](=[CH2:105])[C@@H:42]([CH2:43][C@H:67](O)[C@@:65]1([H])[C@:38]2([CH3:17])[CH2:40][CH2:19][CH2:42][C@@:33]3([CH3:34])[CH3:22])[CH2:40]4', '23 26 H 13.25 -13.37 H 14.45 -11.26 C:17 19.38 -9.54 C:18 12.97 -14.12 C:19 11.01 -14.03 C:20 13.23 -9.59 O 13.24 -8.18 C:2 10.81 -10.98 C:3 10.81 -12.37 C:6 14.45 -13.09 C:1 12.01 -10.28 C:7 15.66 -12.37 C:15 17.22 -11.28 C:12 15.66 -8.18 C:14 16.86 -10.28 C:16 18.01 -9.87 C:11 14.45 -8.88 C:13 16.86 -8.88 C:4 12.01 -13.09 C:5 13.23 -12.37 C:9 14.45 -10.28 C:10 13.23 -10.98 C:8 15.66 -10.98 20 1 -1 21 2 -1 3 16 2 19 4 -1 19 5 -2 22 6 -2 17 7 -1 8 9 1 8 11 1 9 19 1 10 12 1 10 20 1 11 22 1 12 23 1 13 16 1 13 23 1 14 17 1 14 18 1 18 15 -2 23 15 -2 16 18 1 17 21 1 19 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 13.25 -13.37 H 14.45 -11.26 C 19.38 -9.54 C 12.97 -14.12 C 11.01 -14.03 C 13.23 -9.59 O 13.24 -8.18 C 10.81 -10.98 C 10.81 -12.37 C 14.45 -13.09 C 12.01 -10.28 C 15.66 -12.37 C 17.22 -11.28 C 15.66 -8.18 C 16.86 -10.28 C 18.01 -9.87 C 14.45 -8.88 C 16.86 -8.88 C 12.01 -13.09 C 13.23 -12.37 C 14.45 -10.28 C 13.23 -10.98 C 15.66 -10.98 20 1 -1 21 2 -1 3 16 2 19 4 -1 19 5 -2 22 6 -2 17 7 -1 8 9 1 8 11 1 9 19 1 10 12 1 10 20 1 11 22 1 12 23 1 13 16 1 13 23 1 14 17 1 14 18 1 18 15 -2 23 15 -2 16 18 1 17 21 1 19 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 13.25 -13.37 H 14.45 -11.26 C:105 19.38 -9.54 C:34 12.97 -14.12 C:22 11.01 -14.03 C:17 13.23 -9.59 O 13.24 -8.18 C:19 10.81 -10.98 C:42 10.81 -12.37 C:20 14.45 -13.09 C:40 12.01 -10.28 C:41 15.66 -12.37 C:49 17.22 -11.28 C:43 15.66 -8.18 C:40 16.86 -10.28 C:157 18.01 -9.87 C:67 14.45 -8.88 C:42 16.86 -8.88 C:33 12.01 -13.09 C:56 13.23 -12.37 C:65 14.45 -10.28 C:38 13.23 -10.98 C:43 15.66 -10.98 20 1 -1 21 2 -1 3 16 2 19 4 -1 19 5 -2 22 6 -2 17 7 -1 8 9 1 8 11 1 9 19 1 10 12 1 10 20 1 11 22 1 12 23 1 13 16 1 13 23 1 14 17 1 14 18 1 18 15 -2 23 15 -2 16 18 1 17 21 1 19 20 1 20 22 1 21 22 1 21 23 1', 'C20H32O', 288.229, 'C', 'cpb02_808_7', 1602, '', '', '1', 36, NULL, NULL),
(8004, '3(15)-Epoxygymnomitrane', '', 'Terpenoids', 'Sesquiterpenoids', 'Gymnomitranes', '[H][C@@:7]13[CH2:11][C@@:1]([CH3:13])([CH2:10][CH2:9][C@@:8]12[CH2:12]O2)[C@@:2]4([CH3:14])[CH2:3][CH2:4][CH2:5][C@@:6]34[CH3:15]', '[H][C@@]13C[C@@](C)(CC[C@@]12CO2)[C@@]4(C)CCC[C@@]34C', '[H][C@@:54]13[CH2:44][C@@:43]([CH3:25])([CH2:36][CH2:28][C@@:60]12[CH2:54]O2)[C@@:55]4([CH3:23])[CH2:36][CH2:28][CH2:36][C@@:54]34[CH3:28]', '17 20 H 14.96 -8.83 C:13 14.97 -13.63 C:14 16.80 -13.17 C:15 16.77 -8.96 C:4 18.86 -11.07 C:10 13.64 -12.21 C:3 18.06 -12.16 C:5 18.06 -9.96 C:9 12.96 -11.04 C:12 12.96 -8.70 C:11 15.66 -11.04 O 12.25 -9.89 C:1 14.98 -12.21 C:7 14.98 -9.87 C:2 16.76 -11.76 C:6 16.76 -10.36 C:8 13.64 -9.87 14 1 -1 13 2 -1 15 3 -1 16 4 -1 5 7 1 5 8 1 6 9 1 6 13 1 7 15 1 8 16 1 9 17 1 10 12 1 17 10 -1 11 13 1 11 14 1 17 12 -2 13 15 1 14 16 1 14 17 1 15 16 1', '17 20 H 14.96 -8.83 C 14.97 -13.63 C 16.80 -13.17 C 16.77 -8.96 C 18.86 -11.07 C 13.64 -12.21 C 18.06 -12.16 C 18.06 -9.96 C 12.96 -11.04 C 12.96 -8.70 C 15.66 -11.04 O 12.25 -9.89 C 14.98 -12.21 C 14.98 -9.87 C 16.76 -11.76 C 16.76 -10.36 C 13.64 -9.87 14 1 -1 13 2 -1 15 3 -1 16 4 -1 5 7 1 5 8 1 6 9 1 6 13 1 7 15 1 8 16 1 9 17 1 10 12 1 17 10 -1 11 13 1 11 14 1 17 12 -2 13 15 1 14 16 1 14 17 1 15 16 1', '17 20 H 14.96 -8.83 C:25 14.97 -13.63 C:23 16.80 -13.17 C:28 16.77 -8.96 C:28 18.86 -11.07 C:36 13.64 -12.21 C:36 18.06 -12.16 C:36 18.06 -9.96 C:28 12.96 -11.04 C:54 12.96 -8.70 C:44 15.66 -11.04 O 12.25 -9.89 C:43 14.98 -12.21 C:54 14.98 -9.87 C:55 16.76 -11.76 C:54 16.76 -10.36 C:60 13.64 -9.87 14 1 -1 13 2 -1 15 3 -1 16 4 -1 5 7 1 5 8 1 6 9 1 6 13 1 7 15 1 8 16 1 9 17 1 10 12 1 17 10 -1 11 13 1 11 14 1 17 12 -2 13 15 1 14 16 1 14 17 1 15 16 1', 'C15H24O', 220.168, 'C', 'cpb02_808_6', 1602, '', '', '1', 36, NULL, NULL),
(8005, 'Cussoracoside A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@:16](O)([CH2:17]O)[CH2:15]5', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](O)(CO)C5', '[H][C@:50]23[CH2:24][CH2:42][C@@:45]15[CH2:40][C@H:46]([CH2:27][CH2:18][C@@:57]1([H])[C@:39]2([CH3:17])[CH2:38][CH2:18][CH2:37][C@:48]3([CH3:18])[C:178](=O)O[C@@H:96]4O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:80](O)[C@H:74]4O)[C@@:82](O)([CH2:66]O)[CH2:54]5', '37 41 H 13.24 -10.93 H 14.48 -8.80 C:19 10.98 -11.60 C:20 13.22 -7.12 O 12.42 -12.98 O 12.94 -16.55 O 20.32 -6.26 O 18.55 -14.14 O 17.13 -16.57 O 17.17 -11.73 O 19.23 -8.19 C:2 10.78 -8.52 C:106 14.34 -16.55 C:17 18.93 -6.30 C:12 15.70 -5.69 C:3 10.78 -9.92 C:1 11.99 -7.81 C:11 14.48 -6.40 C:6 14.48 -10.65 C:7 15.70 -9.92 C:14 16.91 -7.81 C:15 17.27 -8.82 O 14.37 -11.70 O 14.34 -14.13 C:18 12.96 -11.69 C:103 17.15 -14.14 C:104 16.44 -15.35 C:102 16.46 -12.93 C:105 15.04 -15.34 C:13 16.91 -6.40 C:101 15.06 -12.92 C:5 13.22 -9.92 C:9 14.48 -7.81 C:4 11.99 -10.65 C:16 18.07 -7.40 C:10 13.22 -8.52 C:8 15.70 -8.52 32 1 -1 33 2 -1 34 3 -2 36 4 -2 5 25 2 6 13 1 7 14 1 26 8 -1 27 9 -2 28 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 30 1 16 34 1 17 36 1 18 33 1 19 20 1 19 32 1 20 37 1 30 21 -2 37 21 -2 22 35 1 22 37 1 23 25 1 31 23 -1 24 29 1 24 31 1 34 25 -1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 32 34 1 32 36 1 33 36 1 33 37 1', '37 41 H 13.24 -10.93 H 14.48 -8.80 C 10.98 -11.60 C 13.22 -7.12 O 12.42 -12.98 O 12.94 -16.55 O 20.32 -6.26 O 18.55 -14.14 O 17.13 -16.57 O 17.17 -11.73 O 19.23 -8.19 C 10.78 -8.52 C 14.34 -16.55 C 18.93 -6.30 C 15.70 -5.69 C 10.78 -9.92 C 11.99 -7.81 C 14.48 -6.40 C 14.48 -10.65 C 15.70 -9.92 C 16.91 -7.81 C 17.27 -8.82 O 14.37 -11.70 O 14.34 -14.13 C 12.96 -11.69 C 17.15 -14.14 C 16.44 -15.35 C 16.46 -12.93 C 15.04 -15.34 C 16.91 -6.40 C 15.06 -12.92 C 13.22 -9.92 C 14.48 -7.81 C 11.99 -10.65 C 18.07 -7.40 C 13.22 -8.52 C 15.70 -8.52 32 1 -1 33 2 -1 34 3 -2 36 4 -2 5 25 2 6 13 1 7 14 1 26 8 -1 27 9 -2 28 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 30 1 16 34 1 17 36 1 18 33 1 19 20 1 19 32 1 20 37 1 30 21 -2 37 21 -2 22 35 1 22 37 1 23 25 1 31 23 -1 24 29 1 24 31 1 34 25 -1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 32 34 1 32 36 1 33 36 1 33 37 1', '37 41 H 13.24 -10.93 H 14.48 -8.80 C:18 10.98 -11.60 C:17 13.22 -7.12 O 12.42 -12.98 O 12.94 -16.55 O 20.32 -6.26 O 18.55 -14.14 O 17.13 -16.57 O 17.17 -11.73 O 19.23 -8.19 C:18 10.78 -8.52 C:62 14.34 -16.55 C:66 18.93 -6.30 C:27 15.70 -5.69 C:37 10.78 -9.92 C:38 11.99 -7.81 C:18 14.48 -6.40 C:24 14.48 -10.65 C:42 15.70 -9.92 C:40 16.91 -7.81 C:54 17.27 -8.82 O 14.37 -11.70 O 14.34 -14.13 C:178 12.96 -11.69 C:80 17.15 -14.14 C:71 16.44 -15.35 C:74 16.46 -12.93 C:79 15.04 -15.34 C:46 16.91 -6.40 C:96 15.06 -12.92 C:50 13.22 -9.92 C:57 14.48 -7.81 C:48 11.99 -10.65 C:82 18.07 -7.40 C:39 13.22 -8.52 C:45 15.70 -8.52 32 1 -1 33 2 -1 34 3 -2 36 4 -2 5 25 2 6 13 1 7 14 1 26 8 -1 27 9 -2 28 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 30 1 16 34 1 17 36 1 18 33 1 19 20 1 19 32 1 20 37 1 30 21 -2 37 21 -2 22 35 1 22 37 1 23 25 1 31 23 -1 24 29 1 24 31 1 34 25 -1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 32 34 1 32 36 1 33 36 1 33 37 1', 'C26H42O9', 498.289, 'P', 'cpb02_268_3', 831, '', '', '1', 36, NULL, NULL),
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(8013, 'Pisumsaponin I', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][C@@H:22](O[C:22001](=O)[CH2:22002][C:22003](=O)O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]7([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]8([H])[C@@:4]([CH3:23])([CH2:24]O)[C@@H:3](O[C@@H:101]4O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@H:204](O)[CH:203](O)[C@H:202]5O[C@@H:301]6O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]6O)[CH2:2][CH2:1][C@:10]78[CH3:25]', '[H][C@@]12C[C@](C)(C)C[C@@H](OC(=O)CC(=O)O)[C@]1(C)CC[C@]3(C)C2=CC[C@@]7([H])[C@@]3(C)CC[C@@]8([H])[C@@](C)(CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)C(O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[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
(8014, 'Pisumsaponin II', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][C@@H:22](O)[C@:17]1([CH3:28])[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])([CH:24]=O)[C@@H:3](O[C@@H:101]4O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@H:204](O)[CH:203](O)[C@H:202]5O[C@@H:301]6O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]6O)[CH2:2][CH2:1][C@@:10]78[CH3:25]', '[H][C@@]12C[C@@](C)(C)C[C@@H](O)[C@]1(C)CC[C@]3(C)C2=CC[C@@]8([H])[C@@]3(C)CC[C@@]7([H])[C@@](C)(C=O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)C(O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]78C', '[H][C@@:46]12[CH2:47][C@@:31]([CH3:33])([CH3:29])[CH2:42][C@@H:76](O)[C@:38]1([CH3:21])[CH2:29][CH2:26][C@:43]3([CH3:26])[C:145]2=[CH:122][CH2:24][C@@:47]8([H])[C@@:40]3([CH3:17])[CH2:33][CH2:19][C@@:57]7([H])[C@@:54]([CH3:22])([CH:207]=O)[C@@H:87](O[C@@H:105]4O[C@H:79]([C:172](=O)O)[C@@H:73](O)[C@H:78](O)[C@H:80]4O[C@@H:102]5O[C@H:76]([CH2:62]O)[C@H:71](O)[CH:77](O)[C@H:77]5O[C@@H:103]6O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:72]6O)[CH2:27][CH2:38][C@@:37]78[CH3:16]', '69 76 H 21.69 -6.72 H 16.69 -10.79 H 17.98 -8.56 C:306 8.19 -18.81 C:29 23.75 -2.13 C:30 22.12 -2.12 C:27 20.49 -9.00 C:23 16.18 -11.67 C:28 22.92 -4.71 C:26 19.22 -6.85 C:25 16.69 -6.85 O 13.28 -11.63 O 9.40 -5.51 O 5.77 -10.40 O 11.82 -5.52 O 25.37 -6.13 O 10.61 -20.21 O 13.04 -18.79 O 5.77 -14.60 O 13.04 -16.00 O 8.19 -7.61 O 8.19 -16.00 O 8.18 -10.40 C:24 14.69 -11.62 C:12 19.22 -5.46 C:206 5.77 -11.80 C:2 14.27 -8.27 C:11 17.98 -6.14 C:15 21.69 -8.27 C:1 15.46 -7.55 C:6 17.98 -10.42 C:16 22.92 -7.55 C:7 19.22 -9.72 C:21 24.16 -4.02 C:19 21.69 -4.02 O 9.40 -16.70 O 8.19 -11.80 O 13.04 -10.39 O 11.82 -8.30 O 10.61 -14.60 O 10.61 -11.80 C:106 10.61 -6.21 C:13 20.47 -6.14 C:305 9.40 -18.10 C:22 24.16 -5.46 C:304 10.61 -18.81 C:303 11.82 -18.10 C:204 6.98 -13.90 C:302 11.82 -16.70 C:104 9.40 -8.30 C:203 8.19 -14.60 C:103 9.40 -9.70 C:205 6.98 -12.50 C:3 14.27 -9.72 C:301 10.61 -16.00 C:101 11.82 -9.70 C:201 9.40 -12.50 C:105 10.61 -7.61 C:202 9.40 -13.90 C:102 10.61 -10.40 C:20 22.92 -3.29 C:18 21.69 -5.46 C:14 20.49 -7.55 C:5 16.69 -9.72 C:9 17.98 -7.55 C:4 15.46 -10.42 C:17 22.92 -6.14 C:8 19.22 -8.27 C:10 16.69 -8.27 62 1 -1 64 2 -2 65 3 -2 44 4 -2 61 5 -2 61 6 -1 63 7 -2 66 8 -2 67 9 -1 68 10 -1 69 11 -1 12 24 2 13 42 2 14 26 1 15 42 1 45 16 -1 46 17 -1 47 18 -2 48 19 -1 49 20 -2 50 21 -2 22 51 1 52 23 -1 66 24 -1 25 28 1 25 43 2 53 26 -1 27 30 1 27 54 1 28 65 1 29 32 1 29 63 1 30 69 1 31 33 1 31 64 1 32 67 1 33 68 1 34 45 1 34 61 1 35 61 1 35 62 1 36 44 1 36 55 1 37 53 1 37 57 1 54 38 -1 56 38 -1 39 56 1 39 58 1 55 40 -1 59 40 -2 57 41 -1 60 41 -2 58 42 -1 43 62 1 43 63 1 44 46 1 45 67 1 46 47 1 47 49 1 48 51 1 48 53 1 49 55 1 50 52 1 50 58 1 51 59 1 52 60 1 54 66 1 56 60 1 57 59 1 62 67 1 63 68 1 64 66 1 64 69 1 65 68 1 65 69 1', '69 76 H 21.69 -6.72 H 16.69 -10.79 H 17.98 -8.56 C 8.19 -18.81 C 23.75 -2.13 C 22.12 -2.12 C 20.49 -9.00 C 16.18 -11.67 C 22.92 -4.71 C 19.22 -6.85 C 16.69 -6.85 O 13.28 -11.63 O 9.40 -5.51 O 5.77 -10.40 O 11.82 -5.52 O 25.37 -6.13 O 10.61 -20.21 O 13.04 -18.79 O 5.77 -14.60 O 13.04 -16.00 O 8.19 -7.61 O 8.19 -16.00 O 8.18 -10.40 C 14.69 -11.62 C 19.22 -5.46 C 5.77 -11.80 C 14.27 -8.27 C 17.98 -6.14 C 21.69 -8.27 C 15.46 -7.55 C 17.98 -10.42 C 22.92 -7.55 C 19.22 -9.72 C 24.16 -4.02 C 21.69 -4.02 O 9.40 -16.70 O 8.19 -11.80 O 13.04 -10.39 O 11.82 -8.30 O 10.61 -14.60 O 10.61 -11.80 C 10.61 -6.21 C 20.47 -6.14 C 9.40 -18.10 C 24.16 -5.46 C 10.61 -18.81 C 11.82 -18.10 C 6.98 -13.90 C 11.82 -16.70 C 9.40 -8.30 C 8.19 -14.60 C 9.40 -9.70 C 6.98 -12.50 C 14.27 -9.72 C 10.61 -16.00 C 11.82 -9.70 C 9.40 -12.50 C 10.61 -7.61 C 9.40 -13.90 C 10.61 -10.40 C 22.92 -3.29 C 21.69 -5.46 C 20.49 -7.55 C 16.69 -9.72 C 17.98 -7.55 C 15.46 -10.42 C 22.92 -6.14 C 19.22 -8.27 C 16.69 -8.27 62 1 -1 64 2 -2 65 3 -2 44 4 -2 61 5 -2 61 6 -1 63 7 -2 66 8 -2 67 9 -1 68 10 -1 69 11 -1 12 24 2 13 42 2 14 26 1 15 42 1 45 16 -1 46 17 -1 47 18 -2 48 19 -1 49 20 -2 50 21 -2 22 51 1 52 23 -1 66 24 -1 25 28 1 25 43 2 53 26 -1 27 30 1 27 54 1 28 65 1 29 32 1 29 63 1 30 69 1 31 33 1 31 64 1 32 67 1 33 68 1 34 45 1 34 61 1 35 61 1 35 62 1 36 44 1 36 55 1 37 53 1 37 57 1 54 38 -1 56 38 -1 39 56 1 39 58 1 55 40 -1 59 40 -2 57 41 -1 60 41 -2 58 42 -1 43 62 1 43 63 1 44 46 1 45 67 1 46 47 1 47 49 1 48 51 1 48 53 1 49 55 1 50 52 1 50 58 1 51 59 1 52 60 1 54 66 1 56 60 1 57 59 1 62 67 1 63 68 1 64 66 1 64 69 1 65 68 1 65 69 1', '69 76 H 21.69 -6.72 H 16.69 -10.79 H 17.98 -8.56 C:19 8.19 -18.81 C:33 23.75 -2.13 C:29 22.12 -2.12 C:26 20.49 -9.00 C:22 16.18 -11.67 C:21 22.92 -4.71 C:17 19.22 -6.85 C:16 16.69 -6.85 O 13.28 -11.63 O 9.40 -5.51 O 5.77 -10.40 O 11.82 -5.52 O 25.37 -6.13 O 10.61 -20.21 O 13.04 -18.79 O 5.77 -14.60 O 13.04 -16.00 O 8.19 -7.61 O 8.19 -16.00 O 8.18 -10.40 C:207 14.69 -11.62 C:122 19.22 -5.46 C:62 5.77 -11.80 C:27 14.27 -8.27 C:24 17.98 -6.14 C:26 21.69 -8.27 C:38 15.46 -7.55 C:19 17.98 -10.42 C:29 22.92 -7.55 C:33 19.22 -9.72 C:42 24.16 -4.02 C:47 21.69 -4.02 O 9.40 -16.70 O 8.19 -11.80 O 13.04 -10.39 O 11.82 -8.30 O 10.61 -14.60 O 10.61 -11.80 C:172 10.61 -6.21 C:145 20.47 -6.14 C:70 9.40 -18.10 C:76 24.16 -5.46 C:74 10.61 -18.81 C:73 11.82 -18.10 C:71 6.98 -13.90 C:72 11.82 -16.70 C:73 9.40 -8.30 C:77 8.19 -14.60 C:78 9.40 -9.70 C:76 6.98 -12.50 C:87 14.27 -9.72 C:103 10.61 -16.00 C:105 11.82 -9.70 C:102 9.40 -12.50 C:79 10.61 -7.61 C:77 9.40 -13.90 C:80 10.61 -10.40 C:31 22.92 -3.29 C:46 21.69 -5.46 C:43 20.49 -7.55 C:57 16.69 -9.72 C:47 17.98 -7.55 C:54 15.46 -10.42 C:38 22.92 -6.14 C:40 19.22 -8.27 C:37 16.69 -8.27 62 1 -1 64 2 -2 65 3 -2 44 4 -2 61 5 -2 61 6 -1 63 7 -2 66 8 -2 67 9 -1 68 10 -1 69 11 -1 12 24 2 13 42 2 14 26 1 15 42 1 45 16 -1 46 17 -1 47 18 -2 48 19 -1 49 20 -2 50 21 -2 22 51 1 52 23 -1 66 24 -1 25 28 1 25 43 2 53 26 -1 27 30 1 27 54 1 28 65 1 29 32 1 29 63 1 30 69 1 31 33 1 31 64 1 32 67 1 33 68 1 34 45 1 34 61 1 35 61 1 35 62 1 36 44 1 36 55 1 37 53 1 37 57 1 54 38 -1 56 38 -1 39 56 1 39 58 1 55 40 -1 59 40 -2 57 41 -1 60 41 -2 58 42 -1 43 62 1 43 63 1 44 46 1 45 67 1 46 47 1 47 49 1 48 51 1 48 53 1 49 55 1 50 52 1 50 58 1 51 59 1 52 60 1 54 66 1 56 60 1 57 59 1 62 67 1 63 68 1 64 66 1 64 69 1 65 68 1 65 69 1', 'C48H76O18', 940.527, 'P', 'cpb01_73_2', 1587, '', '', '1', 36, NULL, NULL),
(8015, 'Pisumoside A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]16[CH2:11][CH2:12][C@:13]2(O)[CH2:14][C@:8]1([CH2:15][C@H:16]2[CH2:17]O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C@@H:7](O)[C@@H:6](O)[C@:5]7([H])[C@:4]([CH3:18])([C:19](=O)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)[CH2:3][CH2:2][CH2:1][C@@:10]67[CH3:20]', '[H][C@@]16CC[C@]2(O)C[C@]1(C[C@H]2CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@]7([H])[C@](C)(C(=O)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)CCC[C@@]67C', '[H][C@@:50]16[CH2:19][CH2:27][C@:80]2(O)[CH2:50][C@:49]1([CH2:37][C@H:46]2[CH2:76]O[C@@H:94]3O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:80]3O)[C@@H:83](O)[C@@H:71](O)[C@:52]7([H])[C@:45]([CH3:32])([C:177](=O)O[C@@H:105]4O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]4O[C@@H:107]5O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]5O)[CH2:40][CH2:20][CH2:41][C@@:41]67[CH3:17]', '61 67 H 16.84 -7.98 H 15.62 -10.12 C:18 15.33 -10.88 C:20 15.60 -6.29 O 13.69 -12.14 O 20.43 -12.73 O 11.90 -18.04 O 7.06 -11.92 O 25.30 -11.39 O 17.52 -15.68 O 22.85 -12.78 O 16.10 -18.06 O 9.10 -15.59 O 25.29 -8.55 O 16.14 -13.23 O 11.90 -15.63 O 16.85 -11.24 O 19.29 -9.78 O 19.27 -4.17 C:2 13.16 -7.70 C:106 20.42 -11.33 C:306 13.30 -18.04 C:206 7.74 -13.15 C:17 21.81 -6.24 C:3 13.16 -9.10 C:1 14.37 -7.00 C:11 16.84 -5.57 C:12 18.07 -4.87 C:15 19.64 -8.00 C:14 19.27 -7.00 O 22.82 -7.22 O 11.96 -10.79 O 21.65 -9.25 O 13.32 -15.64 O 9.87 -11.97 O 13.34 -13.21 C:19 13.36 -10.79 C:103 24.09 -10.69 C:303 16.12 -15.66 C:104 22.85 -11.38 C:304 15.41 -16.85 C:204 9.82 -14.39 C:102 24.09 -9.28 C:302 15.43 -14.44 C:203 11.23 -14.41 C:105 21.65 -10.66 C:305 14.01 -16.84 C:205 9.14 -13.17 C:16 20.43 -6.58 C:6 16.84 -9.84 C:7 18.07 -9.10 C:101 22.86 -8.62 C:301 14.03 -14.43 C:201 11.26 -11.98 C:202 11.94 -13.20 C:9 16.84 -7.00 C:4 14.37 -9.84 C:13 19.27 -5.57 C:10 15.60 -7.70 C:5 15.60 -9.10 C:8 18.07 -7.70 56 1 -1 60 2 -1 57 3 -1 59 4 -2 5 37 2 6 21 1 7 22 1 8 23 1 38 9 -1 39 10 -1 40 11 -2 41 12 -2 42 13 -2 43 14 -2 44 15 -2 45 16 -1 50 17 -1 51 18 -1 58 19 -1 20 25 1 20 26 1 46 21 -1 47 22 -1 48 23 -1 24 31 1 49 24 -2 25 57 1 26 59 1 27 28 1 27 56 1 28 58 1 29 49 1 29 61 1 58 30 -2 61 30 -2 52 31 -1 32 37 1 54 32 -1 33 46 1 33 52 1 34 47 1 34 53 1 35 48 1 35 54 1 53 36 -1 55 36 -2 57 37 -2 38 40 1 38 43 1 39 41 1 39 44 1 40 46 1 41 47 1 42 45 1 42 48 1 43 52 1 44 53 1 45 55 1 49 58 1 50 51 1 50 60 1 51 61 1 54 55 1 56 59 1 56 61 1 57 60 1 59 60 1', '61 67 H 16.84 -7.98 H 15.62 -10.12 C 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(8027, '', 'Methyl ent-13-hydroxy-15,16-epoxikauran-19-oate', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@@:13](O)([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[C@:16]4([CH3:17])O[C@@H:15]45', '[H][C@]23CC[C@@]15C[C@@](O)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)[C@]4(C)O[C@@H]45', '[H][C@:57]23[CH2:20][CH2:38][C@@:44]15[CH2:33][C@@:79](O)([CH2:36][CH2:21][C@@:48]1([H])[C@:39]2([CH3:11])[CH2:41][CH2:19][CH2:38][C@@:44]3([CH3:15])[C:178](=O)O[CH3:51])[C@:62]4([CH3:29])O[C@@H:67]45', '27 31 H 14.75 -13.07 H 15.97 -10.95 C:19001 10.19 -14.34 C:18 14.47 -13.83 C:17 20.93 -9.22 C:20 14.73 -9.27 O 12.83 -15.10 O 18.39 -7.16 C:2 12.30 -10.67 C:3 12.30 -12.06 C:1 13.50 -9.96 C:11 15.97 -8.55 C:6 15.97 -12.79 C:12 17.18 -7.84 C:7 17.18 -12.06 C:14 18.39 -9.96 O 11.16 -13.34 O 20.21 -10.85 C:19 12.50 -13.74 C:15 18.75 -10.97 C:5 14.73 -12.06 C:9 15.97 -9.96 C:4 13.50 -12.79 C:16 19.55 -9.55 C:10 14.73 -10.67 C:13 18.39 -8.55 C:8 17.18 -10.67 21 1 -1 22 2 -1 3 17 1 23 4 -1 5 24 1 25 6 -2 7 19 2 8 26 1 9 10 1 9 11 1 10 23 1 11 25 1 12 14 1 12 22 1 13 15 1 13 21 1 14 26 1 15 27 1 26 16 -2 27 16 -2 17 19 1 20 18 -2 24 18 -2 23 19 -2 20 24 1 20 27 1 21 23 1 21 25 1 22 25 1 22 27 1 24 26 1', '27 31 H 14.75 -13.07 H 15.97 -10.95 C 10.19 -14.34 C 14.47 -13.83 C 20.93 -9.22 C 14.73 -9.27 O 12.83 -15.10 O 18.39 -7.16 C 12.30 -10.67 C 12.30 -12.06 C 13.50 -9.96 C 15.97 -8.55 C 15.97 -12.79 C 17.18 -7.84 C 17.18 -12.06 C 18.39 -9.96 O 11.16 -13.34 O 20.21 -10.85 C 12.50 -13.74 C 18.75 -10.97 C 14.73 -12.06 C 15.97 -9.96 C 13.50 -12.79 C 19.55 -9.55 C 14.73 -10.67 C 18.39 -8.55 C 17.18 -10.67 21 1 -1 22 2 -1 3 17 1 23 4 -1 5 24 1 25 6 -2 7 19 2 8 26 1 9 10 1 9 11 1 10 23 1 11 25 1 12 14 1 12 22 1 13 15 1 13 21 1 14 26 1 15 27 1 26 16 -2 27 16 -2 17 19 1 20 18 -2 24 18 -2 23 19 -2 20 24 1 20 27 1 21 23 1 21 25 1 22 25 1 22 27 1 24 26 1', '27 31 H 14.75 -13.07 H 15.97 -10.95 C:51 10.19 -14.34 C:15 14.47 -13.83 C:29 20.93 -9.22 C:11 14.73 -9.27 O 12.83 -15.10 O 18.39 -7.16 C:19 12.30 -10.67 C:38 12.30 -12.06 C:41 13.50 -9.96 C:21 15.97 -8.55 C:20 15.97 -12.79 C:36 17.18 -7.84 C:38 17.18 -12.06 C:33 18.39 -9.96 O 11.16 -13.34 O 20.21 -10.85 C:178 12.50 -13.74 C:67 18.75 -10.97 C:57 14.73 -12.06 C:48 15.97 -9.96 C:44 13.50 -12.79 C:62 19.55 -9.55 C:39 14.73 -10.67 C:79 18.39 -8.55 C:44 17.18 -10.67 21 1 -1 22 2 -1 3 17 1 23 4 -1 5 24 1 25 6 -2 7 19 2 8 26 1 9 10 1 9 11 1 10 23 1 11 25 1 12 14 1 12 22 1 13 15 1 13 21 1 14 26 1 15 27 1 26 16 -2 27 16 -2 17 19 1 20 18 -2 24 18 -2 23 19 -2 20 24 1 20 27 1 21 23 1 21 25 1 22 25 1 22 27 1 24 26 1', 'C21H32O4', 348.238, 'C', 'jbr05_210_3', 473, '', '', '1', 36, 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
(8029, '', 'ent-16b-Hydroxy-beyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C@@H:16](O)[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[CH2:14]4', '[H][C@]23CC[C@@]14C[C@@H](O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)C4', '[H][C@:58]23[CH2:22][CH2:43][C@@:43]14[CH2:44][C@@H:81](O)[C@@:44]([CH3:25])([CH2:39][CH2:21][C@@:57]1([H])[C@:39]2([CH3:14])[CH2:41][CH2:20][CH2:35][C@@:45]3([CH3:30])[C:182](=O)O[CH3:9999])[CH2:57]4', '26 29 H 14.79 -13.11 H 16.01 -10.98 C:19001 10.19 -14.36 C:17 18.44 -7.18 C:18 14.51 -13.87 C:20 14.77 -9.30 O 12.87 -15.14 O 20.98 -9.29 C:2 12.33 -10.70 C:3 12.33 -12.09 C:1 13.54 -9.99 C:12 17.23 -7.86 C:11 16.01 -8.57 C:6 16.01 -12.83 C:7 17.23 -12.09 C:15 18.80 -11.00 C:14 18.44 -9.99 O 11.19 -13.38 C:19 12.53 -13.78 C:16 19.60 -9.58 C:13 18.44 -8.57 C:5 14.79 -12.09 C:9 16.01 -9.99 C:4 13.54 -12.83 C:10 14.79 -10.70 C:8 17.23 -10.70 22 1 -1 23 2 -1 3 18 1 4 21 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 9 10 1 9 11 1 10 24 1 11 25 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 16 26 1 21 17 -1 26 17 -1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.79 -13.11 H 16.01 -10.98 C 10.19 -14.36 C 18.44 -7.18 C 14.51 -13.87 C 14.77 -9.30 O 12.87 -15.14 O 20.98 -9.29 C 12.33 -10.70 C 12.33 -12.09 C 13.54 -9.99 C 17.23 -7.86 C 16.01 -8.57 C 16.01 -12.83 C 17.23 -12.09 C 18.80 -11.00 C 18.44 -9.99 O 11.19 -13.38 C 12.53 -13.78 C 19.60 -9.58 C 18.44 -8.57 C 14.79 -12.09 C 16.01 -9.99 C 13.54 -12.83 C 14.79 -10.70 C 17.23 -10.70 22 1 -1 23 2 -1 3 18 1 4 21 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 9 10 1 9 11 1 10 24 1 11 25 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 16 26 1 21 17 -1 26 17 -1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.79 -13.11 H 16.01 -10.98 C 10.19 -14.36 C:25 18.44 -7.18 C:30 14.51 -13.87 C:14 14.77 -9.30 O 12.87 -15.14 O 20.98 -9.29 C:20 12.33 -10.70 C:35 12.33 -12.09 C:41 13.54 -9.99 C:39 17.23 -7.86 C:21 16.01 -8.57 C:22 16.01 -12.83 C:43 17.23 -12.09 C:44 18.80 -11.00 C:57 18.44 -9.99 O 11.19 -13.38 C:182 12.53 -13.78 C:81 19.60 -9.58 C:44 18.44 -8.57 C:58 14.79 -12.09 C:57 16.01 -9.99 C:45 13.54 -12.83 C:39 14.79 -10.70 C:43 17.23 -10.70 22 1 -1 23 2 -1 3 18 1 4 21 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 9 10 1 9 11 1 10 24 1 11 25 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 16 26 1 21 17 -1 26 17 -1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C21H34O3', 334.239, 'M', 'jbr05_210_6', 473, '', '', '1', 36, NULL, NULL),
(8030, '', 'Methyl ent-6?,16b-dihydroxy-beyeran-19-oate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15][C@H:16]2O)[CH2:7][C@H:6](O)[C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(C[C@H]2O)C[C@H](O)[C@]4([H])[C@](C)(C(=O)OC)CCC[C@@]34C', '[H][C@@:57]13[CH2:22][CH2:42][C@@:43]2([CH3:24])[CH2:55][C@@:43]1([CH2:44][C@H:80]2O)[CH2:46][C@H:69](O)[C@:61]4([H])[C@:44]([CH3:29])([C:178](=O)O[CH3:51])[CH2:38][CH2:19][CH2:43][C@@:40]34[CH3:14]', '27 30 H 15.97 -11.00 H 14.75 -13.13 C:19001 10.15 -14.37 C:17 18.40 -7.19 C:18 14.47 -13.88 C:20 14.73 -9.31 O 12.83 -15.15 O 20.95 -9.30 O 15.99 -14.24 C:2 12.29 -10.72 C:3 12.29 -12.11 C:1 13.50 -10.01 C:12 17.19 -7.87 C:11 15.97 -8.58 C:15 18.76 -11.02 C:7 17.19 -12.11 C:14 18.40 -10.01 O 11.15 -13.39 C:19 12.49 -13.79 C:16 19.56 -9.60 C:6 15.97 -12.85 C:13 18.40 -8.58 C:9 15.99 -10.01 C:4 13.50 -12.85 C:10 14.75 -10.72 C:5 14.75 -12.11 C:8 17.19 -10.72 23 1 -1 26 2 -1 3 18 1 4 22 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 21 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 23 1 15 20 1 15 27 1 16 21 1 16 27 1 22 17 -1 27 17 -1 18 19 1 24 19 -2 20 22 1 21 26 1 23 25 1 23 27 1 24 26 1 25 26 1', '27 30 H 15.97 -11.00 H 14.75 -13.13 C 10.15 -14.37 C 18.40 -7.19 C 14.47 -13.88 C 14.73 -9.31 O 12.83 -15.15 O 20.95 -9.30 O 15.99 -14.24 C 12.29 -10.72 C 12.29 -12.11 C 13.50 -10.01 C 17.19 -7.87 C 15.97 -8.58 C 18.76 -11.02 C 17.19 -12.11 C 18.40 -10.01 O 11.15 -13.39 C 12.49 -13.79 C 19.56 -9.60 C 15.97 -12.85 C 18.40 -8.58 C 15.99 -10.01 C 13.50 -12.85 C 14.75 -10.72 C 14.75 -12.11 C 17.19 -10.72 23 1 -1 26 2 -1 3 18 1 4 22 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 21 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 23 1 15 20 1 15 27 1 16 21 1 16 27 1 22 17 -1 27 17 -1 18 19 1 24 19 -2 20 22 1 21 26 1 23 25 1 23 27 1 24 26 1 25 26 1', '27 30 H 15.97 -11.00 H 14.75 -13.13 C:51 10.15 -14.37 C:24 18.40 -7.19 C:29 14.47 -13.88 C:14 14.73 -9.31 O 12.83 -15.15 O 20.95 -9.30 O 15.99 -14.24 C:19 12.29 -10.72 C:38 12.29 -12.11 C:43 13.50 -10.01 C:42 17.19 -7.87 C:22 15.97 -8.58 C:44 18.76 -11.02 C:46 17.19 -12.11 C:55 18.40 -10.01 O 11.15 -13.39 C:178 12.49 -13.79 C:80 19.56 -9.60 C:69 15.97 -12.85 C:43 18.40 -8.58 C:57 15.99 -10.01 C:44 13.50 -12.85 C:40 14.75 -10.72 C:61 14.75 -12.11 C:43 17.19 -10.72 23 1 -1 26 2 -1 3 18 1 4 22 1 24 5 -1 25 6 -2 7 19 2 20 8 -2 21 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 23 1 15 20 1 15 27 1 16 21 1 16 27 1 22 17 -1 27 17 -1 18 19 1 24 19 -2 20 22 1 21 26 1 23 25 1 23 27 1 24 26 1 25 26 1', 'C21H34O4', 350.238, 'C', 'jbr05_210_7', 473, '', '', '1', 36, NULL, NULL),
(8031, '', 'Methyl ent-7?,16b-dihydroxy-beyeran-19-oate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][C@H:7](O)[C@@:8]14[CH2:15][C@@H:16](O)[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[CH2:14]4', '[H][C@]23C[C@H](O)[C@@]14C[C@@H](O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)C4', '[H][C@:50]23[CH2:29][C@H:77](O)[C@@:46]14[CH2:40][C@@H:80](O)[C@@:42]([CH3:25])([CH2:38][CH2:20][C@@:47]1([H])[C@:40]2([CH3:14])[CH2:41][CH2:19][CH2:34][C@@:43]3([CH3:29])[C:178](=O)O[CH3:54])[CH2:51]4', '27 30 H 14.79 -13.10 H 16.01 -10.98 C:19001 10.19 -14.35 C:17 18.45 -7.18 C:18 14.51 -13.86 C:20 14.77 -9.30 O 12.87 -15.13 O 20.97 -9.29 O 18.45 -12.74 C:2 12.33 -10.70 C:3 12.33 -12.09 C:1 13.54 -9.99 C:12 17.23 -7.86 C:11 16.01 -8.57 C:6 16.01 -12.82 C:15 18.79 -11.00 C:14 18.45 -9.99 O 11.19 -13.37 C:19 12.53 -13.77 C:16 19.59 -9.58 C:7 17.23 -12.09 C:13 18.45 -8.57 C:5 14.79 -12.09 C:9 16.01 -9.99 C:4 13.54 -12.82 C:10 14.79 -10.70 C:8 17.23 -10.70 23 1 -1 24 2 -1 3 18 1 4 22 1 25 5 -1 26 6 -2 7 19 2 20 8 -2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 24 1 15 21 1 15 23 1 16 20 1 16 27 1 22 17 -1 27 17 -1 18 19 1 25 19 -2 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 14.79 -13.10 H 16.01 -10.98 C 10.19 -14.35 C 18.45 -7.18 C 14.51 -13.86 C 14.77 -9.30 O 12.87 -15.13 O 20.97 -9.29 O 18.45 -12.74 C 12.33 -10.70 C 12.33 -12.09 C 13.54 -9.99 C 17.23 -7.86 C 16.01 -8.57 C 16.01 -12.82 C 18.79 -11.00 C 18.45 -9.99 O 11.19 -13.37 C 12.53 -13.77 C 19.59 -9.58 C 17.23 -12.09 C 18.45 -8.57 C 14.79 -12.09 C 16.01 -9.99 C 13.54 -12.82 C 14.79 -10.70 C 17.23 -10.70 23 1 -1 24 2 -1 3 18 1 4 22 1 25 5 -1 26 6 -2 7 19 2 20 8 -2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 24 1 15 21 1 15 23 1 16 20 1 16 27 1 22 17 -1 27 17 -1 18 19 1 25 19 -2 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 14.79 -13.10 H 16.01 -10.98 C:54 10.19 -14.35 C:25 18.45 -7.18 C:29 14.51 -13.86 C:14 14.77 -9.30 O 12.87 -15.13 O 20.97 -9.29 O 18.45 -12.74 C:19 12.33 -10.70 C:34 12.33 -12.09 C:41 13.54 -9.99 C:38 17.23 -7.86 C:20 16.01 -8.57 C:29 16.01 -12.82 C:40 18.79 -11.00 C:51 18.45 -9.99 O 11.19 -13.37 C:178 12.53 -13.77 C:80 19.59 -9.58 C:77 17.23 -12.09 C:42 18.45 -8.57 C:50 14.79 -12.09 C:47 16.01 -9.99 C:43 13.54 -12.82 C:40 14.79 -10.70 C:46 17.23 -10.70 23 1 -1 24 2 -1 3 18 1 4 22 1 25 5 -1 26 6 -2 7 19 2 20 8 -2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 24 1 15 21 1 15 23 1 16 20 1 16 27 1 22 17 -1 27 17 -1 18 19 1 25 19 -2 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', 'C21H34O4', 350.238, 'C', 'jbr05_210_8', 473, '', '', '1', 36, NULL, NULL),
(8032, '', 'Methyl kaur-16-en-19-oate', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=[CH2:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[CH2:14]4', '[H][C@]23CC[C@]14CC(=C)[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)C4', '[H][C@:57]23[CH2:22][CH2:41][C@:44]14[CH2:49][C:156](=[CH2:103])[C@@H:44]([CH2:33][CH2:18][C@@:55]1([H])[C@:39]2([CH3:15])[CH2:41][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:178](=O)O[CH3:51])[CH2:40]4', '25 28 H 14.79 -12.77 H 16.01 -10.64 C:17 20.97 -8.95 C:19001 10.20 -14.03 C:18 14.51 -13.53 C:20 14.77 -8.96 O 12.87 -14.80 C:2 12.33 -10.36 C:12 17.22 -7.52 C:3 12.33 -11.75 C:1 13.54 -9.65 C:11 16.01 -8.23 C:6 16.01 -12.49 C:7 17.22 -11.75 C:15 18.79 -10.66 C:14 18.43 -9.65 O 11.19 -13.04 C:16 19.59 -9.24 C:19 12.53 -13.44 C:13 18.43 -8.23 C:5 14.79 -11.75 C:9 16.01 -9.65 C:4 13.54 -12.49 C:10 14.79 -10.36 C:8 17.22 -10.36 21 1 -1 22 2 -1 3 18 2 4 17 1 23 5 -1 24 6 -2 7 19 2 8 10 1 8 11 1 9 12 1 9 20 1 10 23 1 11 24 1 12 22 1 13 14 1 13 21 1 14 25 1 15 18 1 15 25 1 20 16 -2 25 16 -2 17 19 1 18 20 1 23 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 14.79 -12.77 H 16.01 -10.64 C 20.97 -8.95 C 10.20 -14.03 C 14.51 -13.53 C 14.77 -8.96 O 12.87 -14.80 C 12.33 -10.36 C 17.22 -7.52 C 12.33 -11.75 C 13.54 -9.65 C 16.01 -8.23 C 16.01 -12.49 C 17.22 -11.75 C 18.79 -10.66 C 18.43 -9.65 O 11.19 -13.04 C 19.59 -9.24 C 12.53 -13.44 C 18.43 -8.23 C 14.79 -11.75 C 16.01 -9.65 C 13.54 -12.49 C 14.79 -10.36 C 17.22 -10.36 21 1 -1 22 2 -1 3 18 2 4 17 1 23 5 -1 24 6 -2 7 19 2 8 10 1 8 11 1 9 12 1 9 20 1 10 23 1 11 24 1 12 22 1 13 14 1 13 21 1 14 25 1 15 18 1 15 25 1 20 16 -2 25 16 -2 17 19 1 18 20 1 23 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 14.79 -12.77 H 16.01 -10.64 C:103 20.97 -8.95 C:51 10.20 -14.03 C:29 14.51 -13.53 C:15 14.77 -8.96 O 12.87 -14.80 C:19 12.33 -10.36 C:33 17.22 -7.52 C:38 12.33 -11.75 C:41 13.54 -9.65 C:18 16.01 -8.23 C:22 16.01 -12.49 C:41 17.22 -11.75 C:49 18.79 -10.66 C:40 18.43 -9.65 O 11.19 -13.04 C:156 19.59 -9.24 C:178 12.53 -13.44 C:44 18.43 -8.23 C:57 14.79 -11.75 C:55 16.01 -9.65 C:44 13.54 -12.49 C:39 14.79 -10.36 C:44 17.22 -10.36 21 1 -1 22 2 -1 3 18 2 4 17 1 23 5 -1 24 6 -2 7 19 2 8 10 1 8 11 1 9 12 1 9 20 1 10 23 1 11 24 1 12 22 1 13 14 1 13 21 1 14 25 1 15 18 1 15 25 1 20 16 -2 25 16 -2 17 19 1 18 20 1 23 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', 'C21H32O2', 316.239, 'C', 'jbr05_1360_2', 229, '', '', '1', 36, NULL, NULL),
(8033, '', '16a-Methoxykauran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[C@@:16]([CH3:17])(O[CH3:16001])[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@@](C)(OC)C4', '[H][C@:58]23[CH2:23][CH2:43][C@@:45]14[CH2:40][C@H:44]([CH2:30][CH2:19][C@@:55]1([H])[C@:38]2([CH3:16])[CH2:41][CH2:20][CH2:38][C@@:44]3([CH3:27])[C:185](=O)O)[C@@:85]([CH3:19])(O[CH3:57])[CH2:50]4', '26 29 H 13.84 -12.77 H 15.06 -10.64 C:16001 20.92 -8.13 C:17 19.81 -10.03 C:18 13.56 -13.53 C:20 13.82 -8.96 O 11.92 -14.79 O 10.24 -13.04 C:2 11.38 -10.36 C:12 16.28 -7.52 C:3 11.38 -11.75 C:1 12.59 -9.65 C:11 15.06 -8.23 C:6 15.06 -12.49 C:7 16.28 -11.75 C:14 17.49 -9.65 C:15 17.85 -10.66 O 19.52 -8.14 C:19 11.58 -13.44 C:13 17.49 -8.23 C:16 18.65 -9.24 C:5 13.84 -11.75 C:9 15.06 -9.65 C:4 12.59 -12.49 C:10 13.84 -10.36 C:8 16.28 -10.36 22 1 -1 23 2 -1 3 18 1 21 4 -2 24 5 -1 25 6 -2 7 19 2 8 19 1 9 11 1 9 12 1 10 13 1 10 20 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 20 16 -2 26 16 -2 17 21 1 17 26 1 21 18 -1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 13.84 -12.77 H 15.06 -10.64 C 20.92 -8.13 C 19.81 -10.03 C 13.56 -13.53 C 13.82 -8.96 O 11.92 -14.79 O 10.24 -13.04 C 11.38 -10.36 C 16.28 -7.52 C 11.38 -11.75 C 12.59 -9.65 C 15.06 -8.23 C 15.06 -12.49 C 16.28 -11.75 C 17.49 -9.65 C 17.85 -10.66 O 19.52 -8.14 C 11.58 -13.44 C 17.49 -8.23 C 18.65 -9.24 C 13.84 -11.75 C 15.06 -9.65 C 12.59 -12.49 C 13.84 -10.36 C 16.28 -10.36 22 1 -1 23 2 -1 3 18 1 21 4 -2 24 5 -1 25 6 -2 7 19 2 8 19 1 9 11 1 9 12 1 10 13 1 10 20 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 20 16 -2 26 16 -2 17 21 1 17 26 1 21 18 -1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 13.84 -12.77 H 15.06 -10.64 C:57 20.92 -8.13 C:19 19.81 -10.03 C:27 13.56 -13.53 C:16 13.82 -8.96 O 11.92 -14.79 O 10.24 -13.04 C:20 11.38 -10.36 C:30 16.28 -7.52 C:38 11.38 -11.75 C:41 12.59 -9.65 C:19 15.06 -8.23 C:23 15.06 -12.49 C:43 16.28 -11.75 C:40 17.49 -9.65 C:50 17.85 -10.66 O 19.52 -8.14 C:185 11.58 -13.44 C:44 17.49 -8.23 C:85 18.65 -9.24 C:58 13.84 -11.75 C:55 15.06 -9.65 C:44 12.59 -12.49 C:38 13.84 -10.36 C:45 16.28 -10.36 22 1 -1 23 2 -1 3 18 1 21 4 -2 24 5 -1 25 6 -2 7 19 2 8 19 1 9 11 1 9 12 1 10 13 1 10 20 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 20 16 -2 26 16 -2 17 21 1 17 26 1 21 18 -1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C21H34O3', 334.239, 'C', 'jbr05_1360_4', 229, '', '', '1', 36, 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
(8046, 'Annoglabasin C', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[C@@:16](O[C:16001]([CH3:16002])=O)([C:17](=O)O[CH3:17001])[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@@](OC(C)=O)(C(=O)OC)C4', '[H][C@:57]23[CH2:22][CH2:38][C@@:45]14[CH2:40][C@H:46]([CH2:26][CH2:17][C@@:55]1([H])[C@:40]2([CH3:15])[CH2:42][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:184](=O)O)[C@@:89](O[C:171]([CH3:21])=O)([C:171](=O)O[CH3:52])[CH2:51]4', '31 34 H 13.47 -13.09 H 14.69 -10.96 C:17001 21.29 -7.29 C:16002 20.63 -12.46 C:18 13.19 -13.84 C:20 13.45 -9.28 O 18.24 -12.46 O 11.55 -15.12 O 18.57 -7.16 O 9.87 -13.35 C:2 11.01 -10.68 C:12 15.91 -7.84 C:3 11.01 -12.08 C:11 14.69 -8.56 C:1 12.22 -9.97 C:6 14.69 -12.81 C:7 15.91 -12.08 C:14 17.12 -9.97 C:15 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C:16001 19.45 -11.75 C:19 11.21 -13.76 C:17 19.15 -8.44 C:13 17.12 -8.56 C:5 13.45 -12.08 C:9 14.69 -9.97 C:4 12.22 -12.81 C:10 13.45 -10.68 C:8 15.91 -10.68 C:16 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 28 5 -1 29 6 -2 7 22 2 8 23 2 9 24 2 10 23 1 11 13 1 11 15 1 12 14 1 12 25 1 13 28 1 14 27 1 15 29 1 16 17 1 16 26 1 17 30 1 25 18 -2 30 18 -2 19 30 1 19 31 1 20 24 1 21 22 1 31 21 -2 28 23 -2 31 24 -1 25 31 1 26 28 1 26 29 1 27 29 1 27 30 1', '31 34 H 13.47 -13.09 H 14.69 -10.96 C 21.29 -7.29 C 20.63 -12.46 C 13.19 -13.84 C 13.45 -9.28 O 18.24 -12.46 O 11.55 -15.12 O 18.57 -7.16 O 9.87 -13.35 C 11.01 -10.68 C 15.91 -7.84 C 11.01 -12.08 C 14.69 -8.56 C 12.22 -9.97 C 14.69 -12.81 C 15.91 -12.08 C 17.12 -9.97 C 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C 19.45 -11.75 C 11.21 -13.76 C 19.15 -8.44 C 17.12 -8.56 C 13.45 -12.08 C 14.69 -9.97 C 12.22 -12.81 C 13.45 -10.68 C 15.91 -10.68 C 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 28 5 -1 29 6 -2 7 22 2 8 23 2 9 24 2 10 23 1 11 13 1 11 15 1 12 14 1 12 25 1 13 28 1 14 27 1 15 29 1 16 17 1 16 26 1 17 30 1 25 18 -2 30 18 -2 19 30 1 19 31 1 20 24 1 21 22 1 31 21 -2 28 23 -2 31 24 -1 25 31 1 26 28 1 26 29 1 27 29 1 27 30 1', '31 34 H 13.47 -13.09 H 14.69 -10.96 C:52 21.29 -7.29 C:21 20.63 -12.46 C:29 13.19 -13.84 C:15 13.45 -9.28 O 18.24 -12.46 O 11.55 -15.12 O 18.57 -7.16 O 9.87 -13.35 C:19 11.01 -10.68 C:26 15.91 -7.84 C:38 11.01 -12.08 C:17 14.69 -8.56 C:42 12.22 -9.97 C:22 14.69 -12.81 C:38 15.91 -12.08 C:40 17.12 -9.97 C:51 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C:171 19.45 -11.75 C:184 11.21 -13.76 C:171 19.15 -8.44 C:46 17.12 -8.56 C:57 13.45 -12.08 C:55 14.69 -9.97 C:44 12.22 -12.81 C:40 13.45 -10.68 C:45 15.91 -10.68 C:89 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 28 5 -1 29 6 -2 7 22 2 8 23 2 9 24 2 10 23 1 11 13 1 11 15 1 12 14 1 12 25 1 13 28 1 14 27 1 15 29 1 16 17 1 16 26 1 17 30 1 25 18 -2 30 18 -2 19 30 1 19 31 1 20 24 1 21 22 1 31 21 -2 28 23 -2 31 24 -1 25 31 1 26 28 1 26 29 1 27 29 1 27 30 1', 'C23H34O6', 406.258, 'C', 'np00_1000_1', 366, '', '', '1', 36, NULL, NULL),
(8047, 'Annoglabasin D', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH:19]=O)[C@@:16](O[C:16001]([CH3:16002])=O)([C:17](=O)O[CH3:17001])[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C=O)[C@@](OC(C)=O)(C(=O)OC)C4', '[H][C@:56]23[CH2:20][CH2:38][C@@:45]14[CH2:39][C@H:46]([CH2:26][CH2:17][C@@:55]1([H])[C@:39]2([CH3:16])[CH2:42][CH2:18][CH2:34][C@@:48]3([CH3:24])[CH:206]=O)[C@@:89](O[C:171]([CH3:21])=O)([C:170](=O)O[CH3:52])[CH2:51]4', '30 33 H 13.47 -13.09 H 14.69 -10.96 C:17001 21.29 -7.29 C:16002 20.63 -12.46 C:18 13.19 -13.84 C:20 13.45 -9.28 O 11.55 -15.12 O 18.24 -12.46 O 18.57 -7.16 C:19 11.21 -13.76 C:2 11.01 -10.68 C:12 15.91 -7.84 C:3 11.01 -12.08 C:1 12.22 -9.97 C:11 14.69 -8.56 C:6 14.69 -12.81 C:7 15.91 -12.08 C:14 17.12 -9.97 C:15 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C:16001 19.45 -11.75 C:17 19.15 -8.44 C:13 17.12 -8.56 C:4 12.22 -12.81 C:5 13.45 -12.08 C:9 14.69 -9.97 C:10 13.45 -10.68 C:8 15.91 -10.68 C:16 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 25 5 -1 28 6 -2 7 10 2 8 22 2 9 23 2 25 10 -2 11 13 1 11 14 1 12 15 1 12 24 1 13 25 1 14 28 1 15 27 1 16 17 1 16 26 1 17 29 1 24 18 -2 29 18 -2 19 29 1 19 30 1 20 23 1 21 22 1 30 21 -2 30 23 -1 24 30 1 25 26 1 26 28 1 27 28 1 27 29 1', '30 33 H 13.47 -13.09 H 14.69 -10.96 C 21.29 -7.29 C 20.63 -12.46 C 13.19 -13.84 C 13.45 -9.28 O 11.55 -15.12 O 18.24 -12.46 O 18.57 -7.16 C 11.21 -13.76 C 11.01 -10.68 C 15.91 -7.84 C 11.01 -12.08 C 12.22 -9.97 C 14.69 -8.56 C 14.69 -12.81 C 15.91 -12.08 C 17.12 -9.97 C 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C 19.45 -11.75 C 19.15 -8.44 C 17.12 -8.56 C 12.22 -12.81 C 13.45 -12.08 C 14.69 -9.97 C 13.45 -10.68 C 15.91 -10.68 C 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 25 5 -1 28 6 -2 7 10 2 8 22 2 9 23 2 25 10 -2 11 13 1 11 14 1 12 15 1 12 24 1 13 25 1 14 28 1 15 27 1 16 17 1 16 26 1 17 29 1 24 18 -2 29 18 -2 19 29 1 19 30 1 20 23 1 21 22 1 30 21 -2 30 23 -1 24 30 1 25 26 1 26 28 1 27 28 1 27 29 1', '30 33 H 13.47 -13.09 H 14.69 -10.96 C:52 21.29 -7.29 C:21 20.63 -12.46 C:24 13.19 -13.84 C:16 13.45 -9.28 O 11.55 -15.12 O 18.24 -12.46 O 18.57 -7.16 C:206 11.21 -13.76 C:18 11.01 -10.68 C:26 15.91 -7.84 C:34 11.01 -12.08 C:42 12.22 -9.97 C:17 14.69 -8.56 C:20 14.69 -12.81 C:38 15.91 -12.08 C:39 17.12 -9.97 C:51 17.48 -10.98 O 20.55 -8.48 O 19.45 -10.35 C:171 19.45 -11.75 C:170 19.15 -8.44 C:46 17.12 -8.56 C:48 12.22 -12.81 C:56 13.45 -12.08 C:55 14.69 -9.97 C:39 13.45 -10.68 C:45 15.91 -10.68 C:89 18.28 -9.56 26 1 -1 27 2 -1 3 20 1 4 22 1 25 5 -1 28 6 -2 7 10 2 8 22 2 9 23 2 25 10 -2 11 13 1 11 14 1 12 15 1 12 24 1 13 25 1 14 28 1 15 27 1 16 17 1 16 26 1 17 29 1 24 18 -2 29 18 -2 19 29 1 19 30 1 20 23 1 21 22 1 30 21 -2 30 23 -1 24 30 1 25 26 1 26 28 1 27 28 1 27 29 1', 'C23H34O5', 390.259, 'C', 'np00_1000_2', 366, '', '', '1', 36, NULL, NULL),
(8048, 'Annoglabasin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O)[C@@H:16]([C:17](=O)O)[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)CO)[C@@H](C(=O)O)C4', '[H][C@:58]23[CH2:21][CH2:42][C@@:45]14[CH2:41][C@H:40]([CH2:28][CH2:19][C@@:57]1([H])[C@:39]2([CH3:18])[CH2:41][CH2:18][CH2:36][C@@:39]3([CH3:28])[CH2:64]O)[C@@H:47]([C:177](=O)O)[CH2:43]4', '25 28 H 13.72 -13.38 H 14.94 -11.25 C:18 13.44 -14.14 C:20 13.70 -9.57 O 19.95 -8.12 O 10.12 -13.65 O 21.18 -10.12 C:2 11.26 -10.97 C:19 11.46 -14.05 C:12 16.16 -8.14 C:3 11.26 -12.37 C:1 12.47 -10.26 C:11 14.94 -8.85 C:6 14.94 -13.10 C:7 16.16 -12.37 C:14 17.37 -10.26 C:15 17.73 -11.27 C:17 19.91 -9.52 C:13 17.37 -8.85 C:16 18.53 -9.85 C:4 12.47 -13.10 C:5 13.70 -12.37 C:9 14.94 -10.26 C:10 13.70 -10.97 C:8 16.16 -10.97 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 18 2 6 9 1 7 18 1 8 11 1 8 12 1 21 9 -2 10 13 1 10 19 1 11 21 1 12 24 1 13 23 1 14 15 1 14 22 1 15 25 1 19 16 -2 25 16 -2 17 20 1 17 25 1 20 18 -1 19 20 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.72 -13.38 H 14.94 -11.25 C 13.44 -14.14 C 13.70 -9.57 O 19.95 -8.12 O 10.12 -13.65 O 21.18 -10.12 C 11.26 -10.97 C 11.46 -14.05 C 16.16 -8.14 C 11.26 -12.37 C 12.47 -10.26 C 14.94 -8.85 C 14.94 -13.10 C 16.16 -12.37 C 17.37 -10.26 C 17.73 -11.27 C 19.91 -9.52 C 17.37 -8.85 C 18.53 -9.85 C 12.47 -13.10 C 13.70 -12.37 C 14.94 -10.26 C 13.70 -10.97 C 16.16 -10.97 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 18 2 6 9 1 7 18 1 8 11 1 8 12 1 21 9 -2 10 13 1 10 19 1 11 21 1 12 24 1 13 23 1 14 15 1 14 22 1 15 25 1 19 16 -2 25 16 -2 17 20 1 17 25 1 20 18 -1 19 20 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.72 -13.38 H 14.94 -11.25 C:28 13.44 -14.14 C:18 13.70 -9.57 O 19.95 -8.12 O 10.12 -13.65 O 21.18 -10.12 C:18 11.26 -10.97 C:64 11.46 -14.05 C:28 16.16 -8.14 C:36 11.26 -12.37 C:41 12.47 -10.26 C:19 14.94 -8.85 C:21 14.94 -13.10 C:42 16.16 -12.37 C:41 17.37 -10.26 C:43 17.73 -11.27 C:177 19.91 -9.52 C:40 17.37 -8.85 C:47 18.53 -9.85 C:39 12.47 -13.10 C:58 13.70 -12.37 C:57 14.94 -10.26 C:39 13.70 -10.97 C:45 16.16 -10.97 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 18 2 6 9 1 7 18 1 8 11 1 8 12 1 21 9 -2 10 13 1 10 19 1 11 21 1 12 24 1 13 23 1 14 15 1 14 22 1 15 25 1 19 16 -2 25 16 -2 17 20 1 17 25 1 20 18 -1 19 20 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H32O3', 320.228, 'C', 'np00_1000_3', 366, '', '', '1', 36, 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
(8063, 'Albopilosin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@:8]14[C@H:15](O)[C@H:16]([CH3:17])[C@@H:13]([C:12](=O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O)[C@H:14]4O', '[H][C@]23C[C@@H](O)[C@]14[C@H](O)[C@H](C)[C@@H](C(=O)C[C@@]1([H])[C@]2(C)CCC[C@]3(C)CO)[C@H]4O', '[H][C@:47]23[CH2:31][C@@H:76](O)[C@:56]14[C@H:72](O)[C@H:37]([CH3:11])[C@@H:66]([C:214](=O)[CH2:39][C@@:47]1([H])[C@:39]2([CH3:18])[CH2:40][CH2:18][CH2:36][C@:38]3([CH3:18])[CH2:71]O)[C@H:76]4O', '27 30 H 13.48 -13.38 H 14.69 -11.26 C:17 19.62 -9.55 C:19 11.24 -14.04 C:20 13.46 -9.60 O 15.91 -6.78 O 12.81 -15.47 O 17.13 -13.05 O 18.04 -12.55 O 18.71 -10.87 C:2 11.04 -10.99 C:18 13.21 -14.13 C:3 11.04 -12.38 C:1 12.24 -10.28 C:11 14.69 -8.89 C:6 14.69 -13.10 C:12 15.90 -8.18 C:16 18.25 -9.88 C:7 15.90 -12.38 C:15 17.46 -11.28 C:14 17.10 -10.28 C:13 17.10 -8.89 C:4 12.24 -13.10 C:5 13.46 -12.38 C:9 14.69 -10.28 C:10 13.46 -10.99 C:8 15.90 -10.99 24 1 -1 25 2 -1 18 3 -1 23 4 -2 26 5 -2 6 17 2 7 12 1 19 8 -2 20 9 -1 21 10 -1 11 13 1 11 14 1 23 12 -1 13 23 1 14 26 1 15 17 1 15 25 1 16 19 1 16 24 1 17 22 1 18 20 1 18 22 1 19 27 1 20 27 1 22 21 -2 27 21 -2 23 24 1 24 26 1 25 26 1 25 27 1', '27 30 H 13.48 -13.38 H 14.69 -11.26 C 19.62 -9.55 C 11.24 -14.04 C 13.46 -9.60 O 15.91 -6.78 O 12.81 -15.47 O 17.13 -13.05 O 18.04 -12.55 O 18.71 -10.87 C 11.04 -10.99 C 13.21 -14.13 C 11.04 -12.38 C 12.24 -10.28 C 14.69 -8.89 C 14.69 -13.10 C 15.90 -8.18 C 18.25 -9.88 C 15.90 -12.38 C 17.46 -11.28 C 17.10 -10.28 C 17.10 -8.89 C 12.24 -13.10 C 13.46 -12.38 C 14.69 -10.28 C 13.46 -10.99 C 15.90 -10.99 24 1 -1 25 2 -1 18 3 -1 23 4 -2 26 5 -2 6 17 2 7 12 1 19 8 -2 20 9 -1 21 10 -1 11 13 1 11 14 1 23 12 -1 13 23 1 14 26 1 15 17 1 15 25 1 16 19 1 16 24 1 17 22 1 18 20 1 18 22 1 19 27 1 20 27 1 22 21 -2 27 21 -2 23 24 1 24 26 1 25 26 1 25 27 1', '27 30 H 13.48 -13.38 H 14.69 -11.26 C:11 19.62 -9.55 C:18 11.24 -14.04 C:18 13.46 -9.60 O 15.91 -6.78 O 12.81 -15.47 O 17.13 -13.05 O 18.04 -12.55 O 18.71 -10.87 C:18 11.04 -10.99 C:71 13.21 -14.13 C:36 11.04 -12.38 C:40 12.24 -10.28 C:39 14.69 -8.89 C:31 14.69 -13.10 C:214 15.90 -8.18 C:37 18.25 -9.88 C:76 15.90 -12.38 C:72 17.46 -11.28 C:76 17.10 -10.28 C:66 17.10 -8.89 C:38 12.24 -13.10 C:47 13.46 -12.38 C:47 14.69 -10.28 C:39 13.46 -10.99 C:56 15.90 -10.99 24 1 -1 25 2 -1 18 3 -1 23 4 -2 26 5 -2 6 17 2 7 12 1 19 8 -2 20 9 -1 21 10 -1 11 13 1 11 14 1 23 12 -1 13 23 1 14 26 1 15 17 1 15 25 1 16 19 1 16 24 1 17 22 1 18 20 1 18 22 1 19 27 1 20 27 1 22 21 -2 27 21 -2 23 24 1 24 26 1 25 26 1 25 27 1', 'C20H32O5', 352.227, 'P', 'np05_1758_4', 926, '', '', '1', 36, NULL, NULL),
(8064, 'Albopilosin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@:8]14[C:15](=O)[C@H:16]([CH2:17]O)[C@@H:13]([C@@H:12](O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O)[C@H:14]4O', '[H][C@]23C[C@@H](O)[C@]14C(=O)[C@H](CO)[C@@H]([C@@H](O)C[C@@]1([H])[C@]2(C)CCC[C@]3(C)COC(C)=O)[C@H]4O', '[H][C@:48]23[CH2:30][C@@H:75](O)[C@:62]14[C:220](=O)[C@H:50]([CH2:59]O)[C@@H:53]([C@@H:67](O)[CH2:27][C@@:57]1([H])[C@:39]2([CH3:17])[CH2:39][CH2:18][CH2:36][C@:37]3([CH3:18])[CH2:73]O[C:171]([CH3:21])=O)[C@H:72]4O', '31 34 H 13.20 -13.44 H 14.41 -11.32 C:18002 16.44 -15.40 C:19 10.96 -14.10 C:20 13.18 -9.66 O 14.33 -16.58 O 17.76 -12.61 O 20.33 -10.60 O 15.63 -6.84 O 16.85 -13.11 O 18.43 -10.93 C:2 10.76 -11.05 C:17 19.34 -9.61 C:3 10.76 -12.44 C:1 11.96 -10.34 C:18 12.93 -14.19 C:11 14.41 -8.95 C:6 14.41 -13.16 O 14.33 -14.18 C:18001 15.04 -15.38 C:15 17.18 -11.34 C:12 15.62 -8.24 C:7 15.62 -12.44 C:14 16.82 -10.34 C:16 17.97 -9.94 C:13 16.82 -8.95 C:4 11.96 -13.16 C:5 13.18 -12.44 C:9 14.41 -10.34 C:10 13.18 -11.05 C:8 15.62 -11.05 28 1 -1 29 2 -1 3 20 1 27 4 -2 30 5 -2 6 20 2 7 21 2 8 13 1 22 9 -2 23 10 -2 24 11 -1 12 14 1 12 15 1 25 13 -1 14 27 1 15 30 1 16 19 1 27 16 -1 17 22 1 17 29 1 18 23 1 18 28 1 19 20 1 21 25 1 21 31 1 22 26 1 23 31 1 26 24 -2 31 24 -2 25 26 1 27 28 1 28 30 1 29 30 1 29 31 1', '31 34 H 13.20 -13.44 H 14.41 -11.32 C 16.44 -15.40 C 10.96 -14.10 C 13.18 -9.66 O 14.33 -16.58 O 17.76 -12.61 O 20.33 -10.60 O 15.63 -6.84 O 16.85 -13.11 O 18.43 -10.93 C 10.76 -11.05 C 19.34 -9.61 C 10.76 -12.44 C 11.96 -10.34 C 12.93 -14.19 C 14.41 -8.95 C 14.41 -13.16 O 14.33 -14.18 C 15.04 -15.38 C 17.18 -11.34 C 15.62 -8.24 C 15.62 -12.44 C 16.82 -10.34 C 17.97 -9.94 C 16.82 -8.95 C 11.96 -13.16 C 13.18 -12.44 C 14.41 -10.34 C 13.18 -11.05 C 15.62 -11.05 28 1 -1 29 2 -1 3 20 1 27 4 -2 30 5 -2 6 20 2 7 21 2 8 13 1 22 9 -2 23 10 -2 24 11 -1 12 14 1 12 15 1 25 13 -1 14 27 1 15 30 1 16 19 1 27 16 -1 17 22 1 17 29 1 18 23 1 18 28 1 19 20 1 21 25 1 21 31 1 22 26 1 23 31 1 26 24 -2 31 24 -2 25 26 1 27 28 1 28 30 1 29 30 1 29 31 1', '31 34 H 13.20 -13.44 H 14.41 -11.32 C:21 16.44 -15.40 C:18 10.96 -14.10 C:17 13.18 -9.66 O 14.33 -16.58 O 17.76 -12.61 O 20.33 -10.60 O 15.63 -6.84 O 16.85 -13.11 O 18.43 -10.93 C:18 10.76 -11.05 C:59 19.34 -9.61 C:36 10.76 -12.44 C:39 11.96 -10.34 C:73 12.93 -14.19 C:27 14.41 -8.95 C:30 14.41 -13.16 O 14.33 -14.18 C:171 15.04 -15.38 C:220 17.18 -11.34 C:67 15.62 -8.24 C:75 15.62 -12.44 C:72 16.82 -10.34 C:50 17.97 -9.94 C:53 16.82 -8.95 C:37 11.96 -13.16 C:48 13.18 -12.44 C:57 14.41 -10.34 C:39 13.18 -11.05 C:62 15.62 -11.05 28 1 -1 29 2 -1 3 20 1 27 4 -2 30 5 -2 6 20 2 7 21 2 8 13 1 22 9 -2 23 10 -2 24 11 -1 12 14 1 12 15 1 25 13 -1 14 27 1 15 30 1 16 19 1 27 16 -1 17 22 1 17 29 1 18 23 1 18 28 1 19 20 1 21 25 1 21 31 1 22 26 1 23 31 1 26 24 -2 31 24 -2 25 26 1 27 28 1 28 30 1 29 30 1 29 31 1', 'C22H34O7', 410.247, 'P', 'np05_1758_5', 926, '', '', '1', 36, 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
(8078, 'Lungshengenin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C)C(=C)C4=O', '[H][C@:49]23[CH2:18][CH2:35][C@@:51]14[CH2:37][C@H:37]([CH2:38][C@H:72](O[C:170]([CH3:21])=O)[C@@:60]1([H])[C@:45]2([CH3:16])[C@@H:77](O)[C@H:73](O[C:171]([CH3:21])=O)[C@H:78](O[C:171]([CH3:21])=O)[C@:38]3([CH3:21])[CH3:28])[C:151](=[CH2:112])[C:208]4=O', '36 39 H 15.51 -14.23 H 16.73 -12.10 C:17 21.69 -10.37 C:11002 14.30 -6.91 C:2002 10.61 -9.03 C:3002 9.40 -13.85 C:19 13.25 -14.90 C:18 15.23 -14.99 C:20 15.49 -10.42 O 16.72 -6.89 O 13.04 -9.03 O 10.64 -11.77 O 20.10 -13.40 O 14.24 -9.71 C:6 16.73 -13.95 C:7 17.95 -13.22 C:12 17.95 -8.99 C:14 19.16 -11.11 O 15.51 -9.00 O 11.83 -11.13 O 11.84 -13.90 C:11001 15.51 -7.60 C:2001 11.83 -9.73 C:3001 10.62 -13.17 C:16 20.32 -10.70 C:15 19.52 -12.12 C:13 19.16 -9.70 C:11 16.73 -9.70 C:1 14.26 -11.11 C:2 13.05 -11.82 C:3 13.05 -13.22 C:4 14.26 -13.95 C:5 15.49 -13.22 C:9 16.73 -11.11 C:8 17.95 -11.82 C:10 15.49 -11.82 33 1 -1 34 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 32 7 -2 32 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 29 14 -2 15 16 1 15 33 1 16 35 1 17 27 1 17 28 1 27 18 -2 35 18 -2 19 22 1 28 19 -1 20 23 1 30 20 -1 21 24 1 31 21 -1 25 26 1 25 27 1 26 35 1 28 34 1 29 30 1 29 36 1 30 31 1 31 32 1 32 33 1 33 36 1 34 35 1 34 36 1', '36 39 H 15.51 -14.23 H 16.73 -12.10 C 21.69 -10.37 C 14.30 -6.91 C 10.61 -9.03 C 9.40 -13.85 C 13.25 -14.90 C 15.23 -14.99 C 15.49 -10.42 O 16.72 -6.89 O 13.04 -9.03 O 10.64 -11.77 O 20.10 -13.40 O 14.24 -9.71 C 16.73 -13.95 C 17.95 -13.22 C 17.95 -8.99 C 19.16 -11.11 O 15.51 -9.00 O 11.83 -11.13 O 11.84 -13.90 C 15.51 -7.60 C 11.83 -9.73 C 10.62 -13.17 C 20.32 -10.70 C 19.52 -12.12 C 19.16 -9.70 C 16.73 -9.70 C 14.26 -11.11 C 13.05 -11.82 C 13.05 -13.22 C 14.26 -13.95 C 15.49 -13.22 C 16.73 -11.11 C 17.95 -11.82 C 15.49 -11.82 33 1 -1 34 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 32 7 -2 32 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 29 14 -2 15 16 1 15 33 1 16 35 1 17 27 1 17 28 1 27 18 -2 35 18 -2 19 22 1 28 19 -1 20 23 1 30 20 -1 21 24 1 31 21 -1 25 26 1 25 27 1 26 35 1 28 34 1 29 30 1 29 36 1 30 31 1 31 32 1 32 33 1 33 36 1 34 35 1 34 36 1', '36 39 H 15.51 -14.23 H 16.73 -12.10 C:112 21.69 -10.37 C:21 14.30 -6.91 C:21 10.61 -9.03 C:21 9.40 -13.85 C:21 13.25 -14.90 C:28 15.23 -14.99 C:16 15.49 -10.42 O 16.72 -6.89 O 13.04 -9.03 O 10.64 -11.77 O 20.10 -13.40 O 14.24 -9.71 C:18 16.73 -13.95 C:35 17.95 -13.22 C:38 17.95 -8.99 C:37 19.16 -11.11 O 15.51 -9.00 O 11.83 -11.13 O 11.84 -13.90 C:170 15.51 -7.60 C:171 11.83 -9.73 C:171 10.62 -13.17 C:151 20.32 -10.70 C:208 19.52 -12.12 C:37 19.16 -9.70 C:72 16.73 -9.70 C:77 14.26 -11.11 C:73 13.05 -11.82 C:78 13.05 -13.22 C:38 14.26 -13.95 C:49 15.49 -13.22 C:60 16.73 -11.11 C:51 17.95 -11.82 C:45 15.49 -11.82 33 1 -1 34 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 32 7 -2 32 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 29 14 -2 15 16 1 15 33 1 16 35 1 17 27 1 17 28 1 27 18 -2 35 18 -2 19 22 1 28 19 -1 20 23 1 30 20 -1 21 24 1 31 21 -1 25 26 1 25 27 1 26 35 1 28 34 1 29 30 1 29 36 1 30 31 1 31 32 1 32 33 1 33 36 1 34 35 1 34 36 1', 'C26H36O8', 476.289, 'P', 'np99_941_5', 1018, '', '', '1', 36, NULL, NULL),
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(8097, '', 'E-3-(3,4-Methylenedioxyphenyl )-N-2-[4-hydroxyphenylethyl]-2-propenamide', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', 'O=[C:9]([CH:8]=[CH:7][c:1]2[cH:6][cH:5][c:4]1O[CH2:3001]O[c:3]1[cH:2]2)N[CH2:108][CH2:107][c:101]3[cH:102][cH:103][c:104](O)[cH:105][cH:106]3', 'O=C(C=Cc2ccc1OCOc1c2)NCCc3ccc(O)cc3', 'O=[C:167]([CH:121]=[CH:140][c:131]2[cH:124][cH:109][c:150]1O[CH2:102]O[c:149]1[cH:107]2)N[CH2:36][CH2:42][c:131]3[cH:131][cH:116][c:157](O)[cH:116][cH:131]3', '23 25 O 14.86 -8.65 O 23.35 -7.94 C:8 13.65 -10.75 C:7 12.44 -10.05 C:103 20.91 -7.94 C:105 22.13 -10.04 C:6 10.01 -10.05 C:102 19.71 -8.64 C:106 20.91 -10.74 C:5 8.78 -10.75 C:2 11.21 -12.15 C:108 17.28 -10.05 C:107 18.50 -10.74 C:3001 8.33 -14.37 N 16.07 -10.75 O 7.75 -13.10 O 9.72 -14.22 C:9 14.86 -10.05 C:104 22.13 -8.64 C:1 11.21 -10.75 C:101 19.71 -10.04 C:4 8.78 -12.15 C:3 10.01 -12.85 1 18 2 2 19 1 3 4 2 3 18 1 4 20 1 5 8 1 5 19 2 6 9 2 6 19 1 7 10 2 7 20 1 8 21 2 9 21 1 10 22 1 11 20 2 11 23 1 12 13 1 12 15 1 13 21 1 14 16 1 14 17 1 15 18 1 16 22 1 17 23 1 22 23 2', '23 25 O 14.86 -8.65 O 23.35 -7.94 C 13.65 -10.75 C 12.44 -10.05 C 20.91 -7.94 C 22.13 -10.04 C 10.01 -10.05 C 19.71 -8.64 C 20.91 -10.74 C 8.78 -10.75 C 11.21 -12.15 C 17.28 -10.05 C 18.50 -10.74 C 8.33 -14.37 N 16.07 -10.75 O 7.75 -13.10 O 9.72 -14.22 C 14.86 -10.05 C 22.13 -8.64 C 11.21 -10.75 C 19.71 -10.04 C 8.78 -12.15 C 10.01 -12.85 1 18 2 2 19 1 3 4 2 3 18 1 4 20 1 5 8 1 5 19 2 6 9 2 6 19 1 7 10 2 7 20 1 8 21 2 9 21 1 10 22 1 11 20 2 11 23 1 12 13 1 12 15 1 13 21 1 14 16 1 14 17 1 15 18 1 16 22 1 17 23 1 22 23 2', '23 25 O 14.86 -8.65 O 23.35 -7.94 C:121 13.65 -10.75 C:140 12.44 -10.05 C:116 20.91 -7.94 C:116 22.13 -10.04 C:124 10.01 -10.05 C:131 19.71 -8.64 C:131 20.91 -10.74 C:109 8.78 -10.75 C:107 11.21 -12.15 C:36 17.28 -10.05 C:42 18.50 -10.74 C:102 8.33 -14.37 N 16.07 -10.75 O 7.75 -13.10 O 9.72 -14.22 C:167 14.86 -10.05 C:157 22.13 -8.64 C:131 11.21 -10.75 C:131 19.71 -10.04 C:150 8.78 -12.15 C:149 10.01 -12.85 1 18 2 2 19 1 3 4 2 3 18 1 4 20 1 5 8 1 5 19 2 6 9 2 6 19 1 7 10 2 7 20 1 8 21 2 9 21 1 10 22 1 11 20 2 11 23 1 12 13 1 12 15 1 13 21 1 14 16 1 14 17 1 15 18 1 16 22 1 17 23 1 22 23 2', 'C18H17NO4', 311.197, 'M', 'ph40_1105_9', 1259, '', '', '1', 36, 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
(8112, 'Leucophyllin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23C(=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@]3(C)C)C(=C)C4=O', '[H][C@:56]23[C:205](=O)[C@H:78](O[C:169]([CH3:20])=O)[C@@:52]14[CH2:32][C@H:36]([CH2:40][C@H:65](O)[C@@:60]1([H])[C@:48]2([CH3:15])[C@@H:74](O)[CH2:32][C@H:78](O[C:170]([CH3:20])=O)[C@:36]3([CH3:21])[CH3:27])[C:151](=[CH2:113])[C:203]4=O', '34 37 H 15.51 -12.86 H 16.73 -10.73 C:17 21.70 -9.00 C:3002 9.40 -12.49 C:7002 20.44 -14.60 C:19 13.25 -13.53 C:18 15.23 -13.62 C:20 15.49 -9.05 O 10.66 -10.41 O 18.01 -14.66 O 20.10 -12.03 O 16.75 -13.98 O 15.52 -7.63 O 14.24 -8.34 C:12 17.95 -7.62 C:2 13.05 -10.45 C:14 19.16 -9.74 O 11.83 -12.53 O 19.18 -12.53 C:3001 10.63 -11.81 C:7001 19.18 -13.93 C:16 20.32 -9.33 C:15 19.52 -10.75 C:6 16.73 -12.58 C:13 19.16 -8.33 C:11 16.73 -8.33 C:1 14.26 -9.74 C:3 13.05 -11.85 C:7 17.95 -11.85 C:4 14.26 -12.58 C:5 15.49 -11.85 C:9 16.73 -9.74 C:10 15.49 -10.45 C:8 17.95 -10.45 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 27 14 -2 15 25 1 15 26 1 16 27 1 16 28 1 25 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -1 22 23 1 22 25 1 23 34 1 24 29 1 24 31 1 26 32 1 27 33 1 28 30 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 15.51 -12.86 H 16.73 -10.73 C 21.70 -9.00 C 9.40 -12.49 C 20.44 -14.60 C 13.25 -13.53 C 15.23 -13.62 C 15.49 -9.05 O 10.66 -10.41 O 18.01 -14.66 O 20.10 -12.03 O 16.75 -13.98 O 15.52 -7.63 O 14.24 -8.34 C 17.95 -7.62 C 13.05 -10.45 C 19.16 -9.74 O 11.83 -12.53 O 19.18 -12.53 C 10.63 -11.81 C 19.18 -13.93 C 20.32 -9.33 C 19.52 -10.75 C 16.73 -12.58 C 19.16 -8.33 C 16.73 -8.33 C 14.26 -9.74 C 13.05 -11.85 C 17.95 -11.85 C 14.26 -12.58 C 15.49 -11.85 C 16.73 -9.74 C 15.49 -10.45 C 17.95 -10.45 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 27 14 -2 15 25 1 15 26 1 16 27 1 16 28 1 25 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -1 22 23 1 22 25 1 23 34 1 24 29 1 24 31 1 26 32 1 27 33 1 28 30 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 15.51 -12.86 H 16.73 -10.73 C:113 21.70 -9.00 C:20 9.40 -12.49 C:20 20.44 -14.60 C:21 13.25 -13.53 C:27 15.23 -13.62 C:15 15.49 -9.05 O 10.66 -10.41 O 18.01 -14.66 O 20.10 -12.03 O 16.75 -13.98 O 15.52 -7.63 O 14.24 -8.34 C:40 17.95 -7.62 C:32 13.05 -10.45 C:32 19.16 -9.74 O 11.83 -12.53 O 19.18 -12.53 C:170 10.63 -11.81 C:169 19.18 -13.93 C:151 20.32 -9.33 C:203 19.52 -10.75 C:205 16.73 -12.58 C:36 19.16 -8.33 C:65 16.73 -8.33 C:74 14.26 -9.74 C:78 13.05 -11.85 C:78 17.95 -11.85 C:36 14.26 -12.58 C:56 15.49 -11.85 C:60 16.73 -9.74 C:48 15.49 -10.45 C:52 17.95 -10.45 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 27 14 -2 15 25 1 15 26 1 16 27 1 16 28 1 25 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -1 22 23 1 22 25 1 23 34 1 24 29 1 24 31 1 26 32 1 27 33 1 28 30 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C24H32O8', 448.268, 'P', 'ph47_247_2', 1307, '', '', '1', 36, NULL, NULL),
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(8125, 'Gesneroidin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)C)C(=C)[C@H]4O', '[H][C@:42]23[C@@H:71](O[C:170]([CH3:21])=O)[C@H:76](O[C:170]([CH3:21])=O)[C@@:46]14[CH2:35][C@H:39]([CH2:40][C@H:71](O[C:169]([CH3:21])=O)[C@@:49]1([H])[C@:43]2([CH3:15])[C@@H:81](O[C:170]([CH3:22])=O)[CH2:30][C@H:78](O[C:170]([CH3:22])=O)[C@@:38]3([CH3:28])[CH3:23])[C:157](=[CH2:106])[C@H:82]4O', '43 46 H 15.54 -13.21 H 16.76 -11.07 C:17 21.73 -9.33 C:3002 9.44 -12.84 C:11002 14.33 -5.88 C:1002 13.18 -6.55 C:6002 15.55 -16.42 C:7002 20.42 -14.97 C:18 15.26 -13.96 C:19 13.30 -13.87 C:20 15.52 -9.38 O 10.67 -10.75 O 16.75 -5.86 O 11.93 -8.63 O 14.34 -14.31 O 18.00 -14.98 O 20.12 -12.38 C:12 17.98 -7.96 C:2 13.10 -10.79 C:14 19.18 -10.07 O 11.88 -12.88 O 15.55 -7.97 O 14.34 -8.67 O 16.76 -14.32 O 19.20 -12.88 C:3001 10.67 -12.16 C:11001 15.55 -6.57 C:1001 13.15 -7.95 C:6001 15.55 -15.02 C:7001 19.21 -14.27 C:16 20.34 -9.66 C:13 19.18 -8.66 C:15 19.54 -11.09 C:3 13.10 -12.20 C:11 16.76 -8.66 C:1 14.30 -10.07 C:6 16.76 -12.93 C:7 17.98 -12.20 C:4 14.30 -12.93 C:5 15.52 -12.20 C:9 16.76 -10.07 C:10 15.52 -10.79 C:8 17.98 -10.79 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 33 17 -1 18 32 1 18 35 1 19 34 1 19 36 1 32 20 -2 43 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 31 33 1 33 43 1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.54 -13.21 H 16.76 -11.07 C 21.73 -9.33 C 9.44 -12.84 C 14.33 -5.88 C 13.18 -6.55 C 15.55 -16.42 C 20.42 -14.97 C 15.26 -13.96 C 13.30 -13.87 C 15.52 -9.38 O 10.67 -10.75 O 16.75 -5.86 O 11.93 -8.63 O 14.34 -14.31 O 18.00 -14.98 O 20.12 -12.38 C 17.98 -7.96 C 13.10 -10.79 C 19.18 -10.07 O 11.88 -12.88 O 15.55 -7.97 O 14.34 -8.67 O 16.76 -14.32 O 19.20 -12.88 C 10.67 -12.16 C 15.55 -6.57 C 13.15 -7.95 C 15.55 -15.02 C 19.21 -14.27 C 20.34 -9.66 C 19.18 -8.66 C 19.54 -11.09 C 13.10 -12.20 C 16.76 -8.66 C 14.30 -10.07 C 16.76 -12.93 C 17.98 -12.20 C 14.30 -12.93 C 15.52 -12.20 C 16.76 -10.07 C 15.52 -10.79 C 17.98 -10.79 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 33 17 -1 18 32 1 18 35 1 19 34 1 19 36 1 32 20 -2 43 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 31 33 1 33 43 1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.54 -13.21 H 16.76 -11.07 C:106 21.73 -9.33 C:22 9.44 -12.84 C:21 14.33 -5.88 C:22 13.18 -6.55 C:21 15.55 -16.42 C:21 20.42 -14.97 C:28 15.26 -13.96 C:23 13.30 -13.87 C:15 15.52 -9.38 O 10.67 -10.75 O 16.75 -5.86 O 11.93 -8.63 O 14.34 -14.31 O 18.00 -14.98 O 20.12 -12.38 C:40 17.98 -7.96 C:30 13.10 -10.79 C:35 19.18 -10.07 O 11.88 -12.88 O 15.55 -7.97 O 14.34 -8.67 O 16.76 -14.32 O 19.20 -12.88 C:170 10.67 -12.16 C:169 15.55 -6.57 C:170 13.15 -7.95 C:170 15.55 -15.02 C:170 19.21 -14.27 C:157 20.34 -9.66 C:39 19.18 -8.66 C:82 19.54 -11.09 C:78 13.10 -12.20 C:71 16.76 -8.66 C:81 14.30 -10.07 C:71 16.76 -12.93 C:76 17.98 -12.20 C:38 14.30 -12.93 C:42 15.52 -12.20 C:49 16.76 -10.07 C:43 15.52 -10.79 C:46 17.98 -10.79 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 33 17 -1 18 32 1 18 35 1 19 34 1 19 36 1 32 20 -2 43 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 31 33 1 33 43 1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', 'C30H42O11', 578.33, 'P', 'ph48_155_2', 379, '', '', '1', 36, 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
(8126, 'Gesneroidin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CC[C@H](OC(C)=O)[C@]3(C)C)C(=C)C4=O', '[H][C@:44]23[C@@H:69](O)[C@H:75](O[C:170]([CH3:21])=O)[C@@:48]14[CH2:35][C@H:37]([CH2:41][C@H:66](O)[C@@:59]1([H])[C@:38]2([CH3:19])[CH2:36][CH2:23][C@H:79](O[C:171]([CH3:21])=O)[C@:37]3([CH3:24])[CH3:28])[C:150](=[CH2:112])[C:206]4=O', '33 36 H 15.54 -13.21 H 16.76 -11.07 C:17 21.73 -9.33 C:3002 9.44 -12.84 C:7002 20.42 -14.97 C:19 13.30 -13.87 C:18 15.26 -13.96 C:20 15.52 -9.38 O 10.67 -10.75 O 18.00 -14.98 O 20.12 -12.38 O 15.55 -7.97 O 16.76 -14.32 C:2 13.10 -10.79 C:1 14.30 -10.07 C:12 17.98 -7.96 C:14 19.18 -10.07 O 11.88 -12.88 O 19.20 -12.88 C:3001 10.67 -12.16 C:7001 19.21 -14.27 C:16 20.34 -9.66 C:15 19.54 -11.09 C:13 19.18 -8.66 C:11 16.76 -8.66 C:3 13.10 -12.20 C:6 16.76 -12.93 C:7 17.98 -12.20 C:4 14.30 -12.93 C:5 15.52 -12.20 C:9 16.76 -10.07 C:10 15.52 -10.79 C:8 17.98 -10.79 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 27 13 -2 14 15 1 14 26 1 15 32 1 16 24 1 16 25 1 24 17 -2 33 17 -2 18 20 1 26 18 -1 19 21 1 28 19 -1 22 23 1 22 24 1 23 33 1 25 31 1 26 29 1 27 28 1 27 30 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 15.54 -13.21 H 16.76 -11.07 C 21.73 -9.33 C 9.44 -12.84 C 20.42 -14.97 C 13.30 -13.87 C 15.26 -13.96 C 15.52 -9.38 O 10.67 -10.75 O 18.00 -14.98 O 20.12 -12.38 O 15.55 -7.97 O 16.76 -14.32 C 13.10 -10.79 C 14.30 -10.07 C 17.98 -7.96 C 19.18 -10.07 O 11.88 -12.88 O 19.20 -12.88 C 10.67 -12.16 C 19.21 -14.27 C 20.34 -9.66 C 19.54 -11.09 C 19.18 -8.66 C 16.76 -8.66 C 13.10 -12.20 C 16.76 -12.93 C 17.98 -12.20 C 14.30 -12.93 C 15.52 -12.20 C 16.76 -10.07 C 15.52 -10.79 C 17.98 -10.79 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 27 13 -2 14 15 1 14 26 1 15 32 1 16 24 1 16 25 1 24 17 -2 33 17 -2 18 20 1 26 18 -1 19 21 1 28 19 -1 22 23 1 22 24 1 23 33 1 25 31 1 26 29 1 27 28 1 27 30 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 15.54 -13.21 H 16.76 -11.07 C:112 21.73 -9.33 C:21 9.44 -12.84 C:21 20.42 -14.97 C:24 13.30 -13.87 C:28 15.26 -13.96 C:19 15.52 -9.38 O 10.67 -10.75 O 18.00 -14.98 O 20.12 -12.38 O 15.55 -7.97 O 16.76 -14.32 C:23 13.10 -10.79 C:36 14.30 -10.07 C:41 17.98 -7.96 C:35 19.18 -10.07 O 11.88 -12.88 O 19.20 -12.88 C:171 10.67 -12.16 C:170 19.21 -14.27 C:150 20.34 -9.66 C:206 19.54 -11.09 C:37 19.18 -8.66 C:66 16.76 -8.66 C:79 13.10 -12.20 C:69 16.76 -12.93 C:75 17.98 -12.20 C:37 14.30 -12.93 C:44 15.52 -12.20 C:59 16.76 -10.07 C:38 15.52 -10.79 C:48 17.98 -10.79 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 27 13 -2 14 15 1 14 26 1 15 32 1 16 24 1 16 25 1 24 17 -2 33 17 -2 18 20 1 26 18 -1 19 21 1 28 19 -1 22 23 1 22 24 1 23 33 1 25 31 1 26 29 1 27 28 1 27 30 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', 'C24H34O7', 434.268, 'C', 'ph48_155_3', 379, '', '', '1', 36, NULL, NULL),
(8127, 'Rabyuennane A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C:11](=O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C@H:15](O[C:15001]([CH3:15002])=O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13C(=O)C[C@H]2C[C@]1([C@H](OC(C)=O)C2=C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]4([H])[C@@](C)(C)[C@@H](OC(C)=O)CC[C@@]34C', '[H][C@@:61]13[C:209](=O)[CH2:52][C@H:40]2[CH2:35][C@:47]1([C@H:79](O[C:168]([CH3:21])=O)[C:150]2=[CH2:111])[C@@H:75](O[C:169]([CH3:21])=O)[C@H:69](O[C:170]([CH3:21])=O)[C@:43]4([H])[C@@:37]([CH3:23])([CH3:28])[C@@H:78](O[C:170]([CH3:21])=O)[CH2:22][CH2:36][C@@:38]34[CH3:21]', '39 42 H 16.53 -9.99 H 15.31 -12.13 C:17 21.49 -8.26 C:3002 9.20 -11.76 C:15002 21.98 -12.51 C:6002 15.32 -15.35 C:7002 20.18 -13.90 C:19 13.06 -12.79 C:18 15.03 -12.88 C:20 15.29 -8.31 O 10.43 -9.67 O 21.98 -10.09 O 14.11 -13.24 O 17.77 -13.91 O 15.32 -6.90 C:2 12.86 -9.71 C:1 14.07 -8.99 C:12 17.75 -6.89 C:14 18.95 -8.99 O 11.64 -11.80 O 19.88 -11.30 O 16.53 -13.25 O 18.97 -11.80 C:3001 10.43 -11.08 C:15001 21.28 -11.30 C:6001 15.32 -13.95 C:7001 18.98 -13.20 C:16 20.10 -8.59 C:11 16.53 -7.59 C:13 18.95 -7.59 C:3 12.86 -11.12 C:15 19.31 -10.01 C:6 16.53 -11.85 C:7 17.75 -11.12 C:4 14.07 -11.85 C:9 16.53 -8.99 C:5 15.29 -11.12 C:10 15.29 -9.71 C:8 17.75 -9.71 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -2 35 9 -1 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 29 1 18 30 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 30 1 28 32 1 29 36 1 31 35 1 32 39 1 33 34 1 33 37 1 34 39 1 35 37 1 36 38 1 36 39 1 37 38 1', '39 42 H 16.53 -9.99 H 15.31 -12.13 C 21.49 -8.26 C 9.20 -11.76 C 21.98 -12.51 C 15.32 -15.35 C 20.18 -13.90 C 13.06 -12.79 C 15.03 -12.88 C 15.29 -8.31 O 10.43 -9.67 O 21.98 -10.09 O 14.11 -13.24 O 17.77 -13.91 O 15.32 -6.90 C 12.86 -9.71 C 14.07 -8.99 C 17.75 -6.89 C 18.95 -8.99 O 11.64 -11.80 O 19.88 -11.30 O 16.53 -13.25 O 18.97 -11.80 C 10.43 -11.08 C 21.28 -11.30 C 15.32 -13.95 C 18.98 -13.20 C 20.10 -8.59 C 16.53 -7.59 C 18.95 -7.59 C 12.86 -11.12 C 19.31 -10.01 C 16.53 -11.85 C 17.75 -11.12 C 14.07 -11.85 C 16.53 -8.99 C 15.29 -11.12 C 15.29 -9.71 C 17.75 -9.71 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -2 35 9 -1 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 29 1 18 30 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 30 1 28 32 1 29 36 1 31 35 1 32 39 1 33 34 1 33 37 1 34 39 1 35 37 1 36 38 1 36 39 1 37 38 1', '39 42 H 16.53 -9.99 H 15.31 -12.13 C:111 21.49 -8.26 C:21 9.20 -11.76 C:21 21.98 -12.51 C:21 15.32 -15.35 C:21 20.18 -13.90 C:23 13.06 -12.79 C:28 15.03 -12.88 C:21 15.29 -8.31 O 10.43 -9.67 O 21.98 -10.09 O 14.11 -13.24 O 17.77 -13.91 O 15.32 -6.90 C:22 12.86 -9.71 C:36 14.07 -8.99 C:52 17.75 -6.89 C:35 18.95 -8.99 O 11.64 -11.80 O 19.88 -11.30 O 16.53 -13.25 O 18.97 -11.80 C:170 10.43 -11.08 C:168 21.28 -11.30 C:170 15.32 -13.95 C:169 18.98 -13.20 C:150 20.10 -8.59 C:209 16.53 -7.59 C:40 18.95 -7.59 C:78 12.86 -11.12 C:79 19.31 -10.01 C:69 16.53 -11.85 C:75 17.75 -11.12 C:37 14.07 -11.85 C:61 16.53 -8.99 C:43 15.29 -11.12 C:38 15.29 -9.71 C:47 17.75 -9.71 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -2 35 9 -1 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 29 1 18 30 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 30 1 28 32 1 29 36 1 31 35 1 32 39 1 33 34 1 33 37 1 34 39 1 35 37 1 36 38 1 36 39 1 37 38 1', 'C28H38O9', 518.31, 'C', 'ph48_155_4', 379, '', '', '1', 36, NULL, NULL),
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