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
(18663, '', '(24S)-24-Methyl-25,32-cyclo-cycloartane-3b-ol', 'Terpenoids', 'Triterpenoids', 'Cyclolanostanes', '[H][C@:17]5([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@:24]1([CH3:24001])[CH2:25001][C@@:25]1([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]6([CH3:30])[C@:8]3([H])[CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@:13]56[CH3:18]', '[H][C@]5([C@H](C)CC[C@@]1(C)C[C@@]1(C)C)CC[C@@]6(C)[C@]3([H])CC[C@@]2([H])[C@@](C)(C)[C@@H](O)CC[C@@]24C[C@@]34CC[C@]56C', '[H][C@:52]5([C@H:37]([CH3:18])[CH2:34][CH2:34][C@@:24]1([CH3:20])[CH2:27][C@@:20]1([CH3:22])[CH3:23])[CH2:28][CH2:36][C@@:49]6([CH3:19])[C@:48]3([H])[CH2:26][CH2:21][C@@:47]2([H])[C@@:41]([CH3:26])([CH3:14])[C@@H:79](O)[CH2:30][CH2:32][C@@:26]24[CH2:30][C@@:20]34[CH2:27][CH2:33][C@:45]56[CH3:18]', '36 41 H 18.15 -10.58 H 13.23 -14.72 H 15.75 -11.10 C:21 17.84 -7.24 C:26 24.89 -9.47 C:27 23.04 -11.10 C:28 12.73 -15.60 C:29 11.21 -15.55 C:24001 23.01 -7.41 C:18 17.00 -8.62 C:30 17.02 -12.92 O 9.58 -14.38 C:22 20.18 -7.96 C:2 10.77 -12.18 C:23 21.13 -8.99 C:16 19.18 -10.74 C:6 14.52 -14.34 C:7 15.75 -13.64 C:1 12.00 -11.44 C:15 18.35 -11.86 C:12 15.75 -9.31 C:11 14.52 -10.02 C:25001 23.91 -8.47 C:19 13.23 -10.74 C:20 18.78 -8.26 C:3 10.77 -13.64 C:25 23.48 -9.78 C:4 12.00 -14.34 C:24 22.54 -8.71 C:17 18.35 -9.60 C:5 13.23 -13.64 C:8 15.75 -12.18 C:13 17.00 -10.02 C:14 17.00 -11.44 C:10 13.23 -12.18 C:9 14.52 -11.44 30 1 -2 31 2 -2 32 3 -1 25 4 -2 27 5 -2 27 6 -1 28 7 -2 28 8 -1 29 9 -2 33 10 -1 34 11 -2 26 12 -1 13 15 1 13 25 1 14 19 1 14 26 1 15 29 1 16 20 1 16 30 1 17 18 1 17 31 1 18 32 1 19 35 1 20 34 1 21 22 1 21 33 1 22 36 1 23 27 1 23 29 1 35 24 -1 36 24 -1 25 30 1 26 28 1 27 29 1 28 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 41 H 18.15 -10.58 H 13.23 -14.72 H 15.75 -11.10 C 17.84 -7.24 C 24.89 -9.47 C 23.04 -11.10 C 12.73 -15.60 C 11.21 -15.55 C 23.01 -7.41 C 17.00 -8.62 C 17.02 -12.92 O 9.58 -14.38 C 20.18 -7.96 C 10.77 -12.18 C 21.13 -8.99 C 19.18 -10.74 C 14.52 -14.34 C 15.75 -13.64 C 12.00 -11.44 C 18.35 -11.86 C 15.75 -9.31 C 14.52 -10.02 C 23.91 -8.47 C 13.23 -10.74 C 18.78 -8.26 C 10.77 -13.64 C 23.48 -9.78 C 12.00 -14.34 C 22.54 -8.71 C 18.35 -9.60 C 13.23 -13.64 C 15.75 -12.18 C 17.00 -10.02 C 17.00 -11.44 C 13.23 -12.18 C 14.52 -11.44 30 1 -2 31 2 -2 32 3 -1 25 4 -2 27 5 -2 27 6 -1 28 7 -2 28 8 -1 29 9 -2 33 10 -1 34 11 -2 26 12 -1 13 15 1 13 25 1 14 19 1 14 26 1 15 29 1 16 20 1 16 30 1 17 18 1 17 31 1 18 32 1 19 35 1 20 34 1 21 22 1 21 33 1 22 36 1 23 27 1 23 29 1 35 24 -1 36 24 -1 25 30 1 26 28 1 27 29 1 28 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 41 H 18.15 -10.58 H 13.23 -14.72 H 15.75 -11.10 C:18 17.84 -7.24 C:22 24.89 -9.47 C:23 23.04 -11.10 C:26 12.73 -15.60 C:14 11.21 -15.55 C:20 23.01 -7.41 C:18 17.00 -8.62 C:19 17.02 -12.92 O 9.58 -14.38 C:34 20.18 -7.96 C:30 10.77 -12.18 C:34 21.13 -8.99 C:28 19.18 -10.74 C:21 14.52 -14.34 C:26 15.75 -13.64 C:32 12.00 -11.44 C:36 18.35 -11.86 C:33 15.75 -9.31 C:27 14.52 -10.02 C:27 23.91 -8.47 C:30 13.23 -10.74 C:37 18.78 -8.26 C:79 10.77 -13.64 C:20 23.48 -9.78 C:41 12.00 -14.34 C:24 22.54 -8.71 C:52 18.35 -9.60 C:47 13.23 -13.64 C:48 15.75 -12.18 C:45 17.00 -10.02 C:49 17.00 -11.44 C:26 13.23 -12.18 C:20 14.52 -11.44 30 1 -2 31 2 -2 32 3 -1 25 4 -2 27 5 -2 27 6 -1 28 7 -2 28 8 -1 29 9 -2 33 10 -1 34 11 -2 26 12 -1 13 15 1 13 25 1 14 19 1 14 26 1 15 29 1 16 20 1 16 30 1 17 18 1 17 31 1 18 32 1 19 35 1 20 34 1 21 22 1 21 33 1 22 36 1 23 27 1 23 29 1 35 24 -1 36 24 -1 25 30 1 26 28 1 27 29 1 28 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', 'C32H54O', 454.366, 'C', 'ph66_2729_2', 4694, '', '', '1', 47, NULL, NULL),
(18664, '', 'Ergosta-7,22-diene-3b-yl pentadecanoate', 'Steroids', 'Ergostanes', '', '[H][C@@:5]34[CH2:6][CH:7]=[C:8]1[C@:9]([H])([CH2:11][CH2:12][C@@:13]2([CH3:18])[C@@:14]1([H])[CH2:15][CH2:16][C@:17]2([H])[C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:24001])[CH:25]([CH3:27])[CH3:26])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH2:3004][CH2:3005][CH2:3006][CH2:3007][CH2:3008][CH2:3009][CH2:3010][CH2:3011][CH2:3012][CH2:3013][CH2:3014][CH3:3015])[CH2:4]4', '[H][C@@]34CC=C1[C@]([H])(CC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@H](C)C=C[C@H](C)C(C)C)[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCC)C4', '[H][C@@:50]34[CH2:30][CH:118]=[C:140]1[C@:40]([H])([CH2:22][CH2:40][C@@:34]2([CH3:13])[C@@:56]1([H])[CH2:26][CH2:24][C@:56]2([H])[C@H:41]([CH3:22])[CH:136]=[CH:132][C@H:44]([CH3:18])[CH:34]([CH3:22])[CH3:19])[C@@:34]3([CH3:13])[CH2:37][CH2:30][C@H:73](O[C:173](=O)[CH2:35][CH2:29][CH2:29][CH2:30][CH2:30][CH2:31][CH2:31][CH2:32][CH2:32][CH2:32][CH2:33][CH2:34][CH2:35][CH3:21])[CH2:28]4', '49 52 H 17.48 -16.23 H 18.79 -13.95 H 21.31 -13.95 H 22.31 -12.02 C:3015 10.12 -6.67 C:27 27.36 -12.55 C:26 29.23 -10.86 C:24001 27.30 -8.77 C:21 22.12 -8.59 C:19 17.48 -12.18 C:18 21.31 -10.03 O 12.58 -13.69 C:23 25.44 -10.42 C:22 24.49 -9.38 C:7 20.02 -15.14 C:3014 8.91 -7.37 C:3013 8.91 -8.77 C:3012 7.70 -9.47 C:3011 7.70 -10.86 C:3010 6.49 -11.56 C:3009 6.49 -12.96 C:3008 5.29 -13.69 C:3007 5.33 -15.09 C:3006 6.54 -15.78 C:3005 7.75 -15.09 C:3004 8.96 -15.78 C:3003 10.16 -15.09 C:6 18.79 -15.83 C:3002 11.37 -15.78 C:2 14.99 -13.64 C:15 22.63 -13.31 C:11 18.79 -11.47 C:1 16.24 -12.90 C:16 23.47 -12.18 C:12 20.02 -10.73 C:4 16.24 -15.83 O 13.82 -15.87 C:3001 12.58 -15.09 C:8 20.02 -13.64 C:25 27.80 -11.21 C:24 26.84 -10.12 C:20 23.07 -9.66 C:3 14.99 -15.14 C:5 17.48 -15.14 C:9 18.79 -12.90 C:14 21.31 -12.90 C:17 22.63 -11.01 C:10 17.48 -13.64 C:13 21.31 -11.47 44 1 -2 45 2 -2 46 3 -2 47 4 -2 5 16 1 6 40 1 7 40 1 41 8 -2 42 9 -2 48 10 -1 49 11 -1 12 38 2 13 14 2 13 41 1 14 42 1 15 28 1 15 39 2 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 29 1 28 44 1 29 38 1 30 33 1 30 43 1 31 34 1 31 46 1 32 35 1 32 45 1 33 48 1 34 47 1 35 49 1 36 43 1 36 44 1 37 38 1 43 37 -1 39 45 1 39 46 1 40 41 1 42 47 1 44 48 1 45 48 1 46 49 1 47 49 1', '49 52 H 17.48 -16.23 H 18.79 -13.95 H 21.31 -13.95 H 22.31 -12.02 C 10.12 -6.67 C 27.36 -12.55 C 29.23 -10.86 C 27.30 -8.77 C 22.12 -8.59 C 17.48 -12.18 C 21.31 -10.03 O 12.58 -13.69 C 25.44 -10.42 C 24.49 -9.38 C 20.02 -15.14 C 8.91 -7.37 C 8.91 -8.77 C 7.70 -9.47 C 7.70 -10.86 C 6.49 -11.56 C 6.49 -12.96 C 5.29 -13.69 C 5.33 -15.09 C 6.54 -15.78 C 7.75 -15.09 C 8.96 -15.78 C 10.16 -15.09 C 18.79 -15.83 C 11.37 -15.78 C 14.99 -13.64 C 22.63 -13.31 C 18.79 -11.47 C 16.24 -12.90 C 23.47 -12.18 C 20.02 -10.73 C 16.24 -15.83 O 13.82 -15.87 C 12.58 -15.09 C 20.02 -13.64 C 27.80 -11.21 C 26.84 -10.12 C 23.07 -9.66 C 14.99 -15.14 C 17.48 -15.14 C 18.79 -12.90 C 21.31 -12.90 C 22.63 -11.01 C 17.48 -13.64 C 21.31 -11.47 44 1 -2 45 2 -2 46 3 -2 47 4 -2 5 16 1 6 40 1 7 40 1 41 8 -2 42 9 -2 48 10 -1 49 11 -1 12 38 2 13 14 2 13 41 1 14 42 1 15 28 1 15 39 2 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 29 1 28 44 1 29 38 1 30 33 1 30 43 1 31 34 1 31 46 1 32 35 1 32 45 1 33 48 1 34 47 1 35 49 1 36 43 1 36 44 1 37 38 1 43 37 -1 39 45 1 39 46 1 40 41 1 42 47 1 44 48 1 45 48 1 46 49 1 47 49 1', '49 52 H 17.48 -16.23 H 18.79 -13.95 H 21.31 -13.95 H 22.31 -12.02 C:21 10.12 -6.67 C:22 27.36 -12.55 C:19 29.23 -10.86 C:18 27.30 -8.77 C:22 22.12 -8.59 C:13 17.48 -12.18 C:13 21.31 -10.03 O 12.58 -13.69 C:132 25.44 -10.42 C:136 24.49 -9.38 C:118 20.02 -15.14 C:35 8.91 -7.37 C:34 8.91 -8.77 C:33 7.70 -9.47 C:32 7.70 -10.86 C:32 6.49 -11.56 C:32 6.49 -12.96 C:31 5.29 -13.69 C:31 5.33 -15.09 C:30 6.54 -15.78 C:30 7.75 -15.09 C:29 8.96 -15.78 C:29 10.16 -15.09 C:30 18.79 -15.83 C:35 11.37 -15.78 C:30 14.99 -13.64 C:26 22.63 -13.31 C:22 18.79 -11.47 C:37 16.24 -12.90 C:24 23.47 -12.18 C:40 20.02 -10.73 C:28 16.24 -15.83 O 13.82 -15.87 C:173 12.58 -15.09 C:140 20.02 -13.64 C:34 27.80 -11.21 C:44 26.84 -10.12 C:41 23.07 -9.66 C:73 14.99 -15.14 C:50 17.48 -15.14 C:40 18.79 -12.90 C:56 21.31 -12.90 C:56 22.63 -11.01 C:34 17.48 -13.64 C:34 21.31 -11.47 44 1 -2 45 2 -2 46 3 -2 47 4 -2 5 16 1 6 40 1 7 40 1 41 8 -2 42 9 -2 48 10 -1 49 11 -1 12 38 2 13 14 2 13 41 1 14 42 1 15 28 1 15 39 2 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 29 1 28 44 1 29 38 1 30 33 1 30 43 1 31 34 1 31 46 1 32 35 1 32 45 1 33 48 1 34 47 1 35 49 1 36 43 1 36 44 1 37 38 1 43 37 -1 39 45 1 39 46 1 40 41 1 42 47 1 44 48 1 45 48 1 46 49 1 47 49 1', 'C43H74O2', 622.491, 'B', 'ph67_202_3', 4695, '', '', '1', 47, NULL, NULL),
(18665, 'Spongiporic acid A', '23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@H:20]([CH3:21])[CH2:22][C:23](=O)[C:24](=[CH2:24001])[CH:25]([CH3:27])[C:26](=O)O)[CH2:16][CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O)[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@H](C)CC(=O)C(=C)C(C)C(=O)O)CC[C@@]3(C)C1=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C1=CC[C@]23C', '[H][C@:52]2([C@H:35]([CH3:21])[CH2:46][C:202](=O)[C:151](=[CH2:125])[CH:42]([CH3:18])[C:177](=O)O)[CH2:29][CH2:32][C@@:51]3([CH3:25])[C:143]1=[CH:119][CH2:29][C@H:52]([C:150](=[CH2:113])[CH3:23])[C@:40]([CH3:23])([CH2:31][CH2:37][C:178](=O)O)[C:138]1=[CH:121][CH2:40][C@:45]23[CH3:18]', '37 39 H 18.28 -10.57 C:28 12.21 -15.69 C:24001 23.08 -7.41 C:29 11.02 -13.63 C:27 23.12 -11.09 C:21 17.98 -7.18 C:19 13.43 -10.74 C:30 17.18 -12.90 C:18 17.16 -8.63 O 9.79 -10.09 O 25.41 -8.17 O 20.78 -10.30 O 8.59 -12.16 O 25.90 -10.50 C:7 15.92 -13.63 C:11 14.71 -10.03 C:6 14.71 -14.31 C:2 10.99 -12.17 C:12 15.92 -9.32 C:22 20.32 -7.95 C:1 12.21 -11.43 C:16 19.30 -10.74 C:15 18.48 -11.86 C:4 12.21 -14.31 C:3 9.79 -11.47 C:24 22.63 -8.72 C:26 24.97 -9.47 C:23 21.24 -9.00 C:9 14.71 -11.43 C:8 15.92 -12.17 C:25 23.57 -9.78 C:20 18.91 -8.25 C:5 13.43 -13.63 C:17 18.48 -9.60 C:10 13.43 -12.17 C:14 17.16 -11.43 C:13 17.16 -10.03 34 1 -2 2 24 2 3 26 2 4 24 1 5 31 1 32 6 -2 35 7 -1 36 8 -2 37 9 -1 10 25 2 11 27 2 12 28 2 13 25 1 14 27 1 15 17 1 15 30 2 16 19 1 16 29 2 17 33 1 18 21 1 18 25 1 19 37 1 20 28 1 20 32 1 21 35 1 22 23 1 22 34 1 23 36 1 33 24 -2 26 28 1 26 31 1 27 31 1 29 30 1 29 35 1 30 36 1 32 34 1 33 35 1 34 37 1 36 37 1', '37 39 H 18.28 -10.57 C 12.21 -15.69 C 23.08 -7.41 C 11.02 -13.63 C 23.12 -11.09 C 17.98 -7.18 C 13.43 -10.74 C 17.18 -12.90 C 17.16 -8.63 O 9.79 -10.09 O 25.41 -8.17 O 20.78 -10.30 O 8.59 -12.16 O 25.90 -10.50 C 15.92 -13.63 C 14.71 -10.03 C 14.71 -14.31 C 10.99 -12.17 C 15.92 -9.32 C 20.32 -7.95 C 12.21 -11.43 C 19.30 -10.74 C 18.48 -11.86 C 12.21 -14.31 C 9.79 -11.47 C 22.63 -8.72 C 24.97 -9.47 C 21.24 -9.00 C 14.71 -11.43 C 15.92 -12.17 C 23.57 -9.78 C 18.91 -8.25 C 13.43 -13.63 C 18.48 -9.60 C 13.43 -12.17 C 17.16 -11.43 C 17.16 -10.03 34 1 -2 2 24 2 3 26 2 4 24 1 5 31 1 32 6 -2 35 7 -1 36 8 -2 37 9 -1 10 25 2 11 27 2 12 28 2 13 25 1 14 27 1 15 17 1 15 30 2 16 19 1 16 29 2 17 33 1 18 21 1 18 25 1 19 37 1 20 28 1 20 32 1 21 35 1 22 23 1 22 34 1 23 36 1 33 24 -2 26 28 1 26 31 1 27 31 1 29 30 1 29 35 1 30 36 1 32 34 1 33 35 1 34 37 1 36 37 1', '37 39 H 18.28 -10.57 C:113 12.21 -15.69 C:125 23.08 -7.41 C:23 11.02 -13.63 C:18 23.12 -11.09 C:21 17.98 -7.18 C:23 13.43 -10.74 C:25 17.18 -12.90 C:18 17.16 -8.63 O 9.79 -10.09 O 25.41 -8.17 O 20.78 -10.30 O 8.59 -12.16 O 25.90 -10.50 C:119 15.92 -13.63 C:121 14.71 -10.03 C:29 14.71 -14.31 C:37 10.99 -12.17 C:40 15.92 -9.32 C:46 20.32 -7.95 C:31 12.21 -11.43 C:29 19.30 -10.74 C:32 18.48 -11.86 C:150 12.21 -14.31 C:178 9.79 -11.47 C:151 22.63 -8.72 C:177 24.97 -9.47 C:202 21.24 -9.00 C:138 14.71 -11.43 C:143 15.92 -12.17 C:42 23.57 -9.78 C:35 18.91 -8.25 C:52 13.43 -13.63 C:52 18.48 -9.60 C:40 13.43 -12.17 C:51 17.16 -11.43 C:45 17.16 -10.03 34 1 -2 2 24 2 3 26 2 4 24 1 5 31 1 32 6 -2 35 7 -1 36 8 -2 37 9 -1 10 25 2 11 27 2 12 28 2 13 25 1 14 27 1 15 17 1 15 30 2 16 19 1 16 29 2 17 33 1 18 21 1 18 25 1 19 37 1 20 28 1 20 32 1 21 35 1 22 23 1 22 34 1 23 36 1 33 24 -2 26 28 1 26 31 1 27 31 1 29 30 1 29 35 1 30 36 1 32 34 1 33 35 1 34 37 1 36 37 1', 'C31H44O5', 496.337, 'P', 'ph67_202_11', 4695, '', '', '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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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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(18721, 'Sapogenol 2', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]([CH3:24])([C:23](=O)O)[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]5([C:28](=O)O)[CH2:22][CH2:21][C@@H:19]([CH:20]([CH3:29])[CH:30]=O)[C@:18]45[H]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@]5(C(=O)O)CC[C@@H](C(C)C=O)[C@]45[H]', '[H][C@:39]34[CH2:27][CH2:21][C@:51]2([H])[C@@:37]1([CH3:17])[CH2:33][CH2:26][C@@H:73](O)[C@@:52]([CH3:18])([C:180](=O)O)[C@:45]1([H])[CH2:22][CH2:35][C@@:42]2([CH3:17])[C@:43]3([CH3:15])[CH2:30][CH2:33][C@@:57]5([C:179](=O)O)[CH2:38][CH2:24][C@@H:37]([CH:50]([CH3:7])[CH:205]=O)[C@:49]45[H]', '40 44 H 18.50 -9.26 H 15.99 -12.67 H 14.73 -14.85 H 19.76 -10.61 C:29 19.55 -5.75 C:25 14.73 -11.02 C:27 18.50 -13.18 C:26 17.24 -11.02 C:24 12.52 -15.90 O 16.77 -6.39 O 15.71 -15.84 O 22.24 -12.39 O 13.71 -17.11 O 23.44 -10.29 O 11.03 -14.64 C:30 17.71 -7.43 C:2 12.23 -12.45 C:21 21.49 -8.02 C:1 13.47 -11.73 C:12 17.24 -9.56 C:11 15.99 -10.29 C:6 15.99 -14.64 C:22 22.08 -9.32 C:7 17.24 -13.92 C:15 19.76 -12.45 C:16 21.03 -11.73 C:23 14.31 -15.84 C:28 22.24 -10.99 C:20 19.11 -7.13 C:3 12.23 -13.92 C:19 20.07 -8.18 C:13 18.50 -10.29 C:9 15.99 -11.73 C:5 14.73 -13.92 C:18 19.76 -9.56 C:10 14.73 -12.45 C:14 18.50 -11.73 C:8 17.24 -12.45 C:4 13.47 -14.64 C:17 21.03 -10.29 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 29 1 36 6 -1 37 7 -2 38 8 -1 39 9 -1 10 16 2 11 27 2 12 28 2 13 27 1 14 28 1 30 15 -2 16 29 1 17 19 1 17 30 1 18 23 1 18 31 1 19 36 1 20 21 1 20 32 1 21 33 1 22 24 1 22 34 1 23 40 1 24 38 1 25 26 1 25 37 1 26 40 1 39 27 -2 40 28 -1 31 29 -2 30 39 1 31 35 1 32 35 1 32 37 1 33 36 1 33 38 1 34 36 1 34 39 1 35 40 1 37 38 1', '40 44 H 18.50 -9.26 H 15.99 -12.67 H 14.73 -14.85 H 19.76 -10.61 C 19.55 -5.75 C 14.73 -11.02 C 18.50 -13.18 C 17.24 -11.02 C 12.52 -15.90 O 16.77 -6.39 O 15.71 -15.84 O 22.24 -12.39 O 13.71 -17.11 O 23.44 -10.29 O 11.03 -14.64 C 17.71 -7.43 C 12.23 -12.45 C 21.49 -8.02 C 13.47 -11.73 C 17.24 -9.56 C 15.99 -10.29 C 15.99 -14.64 C 22.08 -9.32 C 17.24 -13.92 C 19.76 -12.45 C 21.03 -11.73 C 14.31 -15.84 C 22.24 -10.99 C 19.11 -7.13 C 12.23 -13.92 C 20.07 -8.18 C 18.50 -10.29 C 15.99 -11.73 C 14.73 -13.92 C 19.76 -9.56 C 14.73 -12.45 C 18.50 -11.73 C 17.24 -12.45 C 13.47 -14.64 C 21.03 -10.29 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 29 1 36 6 -1 37 7 -2 38 8 -1 39 9 -1 10 16 2 11 27 2 12 28 2 13 27 1 14 28 1 30 15 -2 16 29 1 17 19 1 17 30 1 18 23 1 18 31 1 19 36 1 20 21 1 20 32 1 21 33 1 22 24 1 22 34 1 23 40 1 24 38 1 25 26 1 25 37 1 26 40 1 39 27 -2 40 28 -1 31 29 -2 30 39 1 31 35 1 32 35 1 32 37 1 33 36 1 33 38 1 34 36 1 34 39 1 35 40 1 37 38 1', '40 44 H 18.50 -9.26 H 15.99 -12.67 H 14.73 -14.85 H 19.76 -10.61 C:7 19.55 -5.75 C:17 14.73 -11.02 C:15 18.50 -13.18 C:17 17.24 -11.02 C:18 12.52 -15.90 O 16.77 -6.39 O 15.71 -15.84 O 22.24 -12.39 O 13.71 -17.11 O 23.44 -10.29 O 11.03 -14.64 C:205 17.71 -7.43 C:26 12.23 -12.45 C:24 21.49 -8.02 C:33 13.47 -11.73 C:27 17.24 -9.56 C:21 15.99 -10.29 C:22 15.99 -14.64 C:38 22.08 -9.32 C:35 17.24 -13.92 C:30 19.76 -12.45 C:33 21.03 -11.73 C:180 14.31 -15.84 C:179 22.24 -10.99 C:50 19.11 -7.13 C:73 12.23 -13.92 C:37 20.07 -8.18 C:39 18.50 -10.29 C:51 15.99 -11.73 C:45 14.73 -13.92 C:49 19.76 -9.56 C:37 14.73 -12.45 C:43 18.50 -11.73 C:42 17.24 -12.45 C:52 13.47 -14.64 C:57 21.03 -10.29 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 29 1 36 6 -1 37 7 -2 38 8 -1 39 9 -1 10 16 2 11 27 2 12 28 2 13 27 1 14 28 1 30 15 -2 16 29 1 17 19 1 17 30 1 18 23 1 18 31 1 19 36 1 20 21 1 20 32 1 21 33 1 22 24 1 22 34 1 23 40 1 24 38 1 25 26 1 25 37 1 26 40 1 39 27 -2 40 28 -1 31 29 -2 30 39 1 31 35 1 32 35 1 32 37 1 33 36 1 33 38 1 34 36 1 34 39 1 35 40 1 37 38 1', 'C30H46O6', 502.349, 'P', 'cpb05_97_2', 4713, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(18722, '', '3-O-(4-Hydroxy-3-methoxybenzoyl)ceanothic Acid', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]46[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[C@@H:2]([C:1](=O)O)[C@H:3](O[C:3001](=O)[c:3002]5[cH:3007][cH:3006][c:3005](O)[c:3004](O[CH3:3401])[cH:3003]5)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]46CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)O)CC[C@]23C)[C@@]4(C)[C@@H](C(=O)O)[C@H](OC(=O)c5ccc(O)c(OC)c5)[C@]6(C)C', '[H][C@@:57]46[CH2:19][CH2:35][C@:44]3([CH3:17])[C@:45]([H])([CH2:24][CH2:26][C@:39]2([H])[C@@:50]1([H])[C@H:48]([C:151](=[CH2:110])[CH3:20])[CH2:31][CH2:38][C@:57]1([C:179](=O)O)[CH2:33][CH2:31][C@:42]23[CH3:15])[C@@:50]4([CH3:19])[C@@H:64]([C:177](=O)O)[C@H:86](O[C:166](=O)[c:122]5[cH:125][cH:114][c:153](O)[c:149](O[CH3:56])[cH:116]5)[C@:44]6([CH3:31])[CH3:20]', '50 55 H 17.82 -15.04 H 21.59 -9.37 H 19.08 -12.84 H 22.85 -10.76 C:29 22.64 -5.83 C:3401 7.92 -17.02 C:30 20.80 -7.52 C:23 17.14 -15.75 C:24 15.22 -15.16 C:27 21.59 -13.37 C:26 20.33 -11.19 C:25 17.82 -11.19 O 14.69 -10.61 O 25.33 -12.55 O 14.23 -15.80 O 17.01 -9.87 O 26.57 -10.43 O 7.92 -14.57 C:3007 11.43 -13.37 C:3006 10.03 -13.37 C:3003 11.43 -15.80 C:21 24.61 -8.12 C:22 25.19 -9.43 C:6 19.08 -14.83 C:12 20.33 -9.68 C:11 19.08 -10.43 C:7 20.33 -14.12 C:15 22.85 -12.63 C:16 24.13 -11.91 O 9.33 -17.02 O 14.23 -13.37 C:20 22.20 -7.21 C:1 16.06 -10.90 C:28 25.33 -11.19 C:3001 13.53 -14.57 C:3002 12.13 -14.57 C:3005 9.33 -14.57 C:3004 10.03 -15.80 C:19 23.15 -8.28 C:3 15.63 -13.37 C:2 16.48 -12.23 C:4 16.48 -14.51 C:5 17.82 -14.12 C:13 21.59 -10.43 C:9 19.08 -11.91 C:18 22.85 -9.68 C:14 21.59 -11.91 C:8 20.33 -12.63 C:10 17.82 -12.63 C:17 24.13 -10.43 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 32 2 6 30 1 7 32 1 42 8 -2 42 9 -1 47 10 -2 48 11 -1 49 12 -1 13 33 2 14 34 2 15 35 2 16 33 1 17 34 1 18 37 1 19 20 1 19 36 2 20 37 2 21 36 1 21 38 2 22 23 1 22 39 1 23 50 1 24 27 1 24 43 1 25 26 1 25 44 1 26 45 1 27 48 1 28 29 1 28 47 1 29 50 1 30 38 1 31 35 1 40 31 -1 39 32 -2 41 33 -2 50 34 -1 35 36 1 37 38 1 39 46 1 40 41 1 40 42 1 41 49 1 42 43 1 43 49 1 44 46 1 44 47 1 45 48 1 45 49 1 46 50 1 47 48 1', '50 55 H 17.82 -15.04 H 21.59 -9.37 H 19.08 -12.84 H 22.85 -10.76 C 22.64 -5.83 C 7.92 -17.02 C 20.80 -7.52 C 17.14 -15.75 C 15.22 -15.16 C 21.59 -13.37 C 20.33 -11.19 C 17.82 -11.19 O 14.69 -10.61 O 25.33 -12.55 O 14.23 -15.80 O 17.01 -9.87 O 26.57 -10.43 O 7.92 -14.57 C 11.43 -13.37 C 10.03 -13.37 C 11.43 -15.80 C 24.61 -8.12 C 25.19 -9.43 C 19.08 -14.83 C 20.33 -9.68 C 19.08 -10.43 C 20.33 -14.12 C 22.85 -12.63 C 24.13 -11.91 O 9.33 -17.02 O 14.23 -13.37 C 22.20 -7.21 C 16.06 -10.90 C 25.33 -11.19 C 13.53 -14.57 C 12.13 -14.57 C 9.33 -14.57 C 10.03 -15.80 C 23.15 -8.28 C 15.63 -13.37 C 16.48 -12.23 C 16.48 -14.51 C 17.82 -14.12 C 21.59 -10.43 C 19.08 -11.91 C 22.85 -9.68 C 21.59 -11.91 C 20.33 -12.63 C 17.82 -12.63 C 24.13 -10.43 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 32 2 6 30 1 7 32 1 42 8 -2 42 9 -1 47 10 -2 48 11 -1 49 12 -1 13 33 2 14 34 2 15 35 2 16 33 1 17 34 1 18 37 1 19 20 1 19 36 2 20 37 2 21 36 1 21 38 2 22 23 1 22 39 1 23 50 1 24 27 1 24 43 1 25 26 1 25 44 1 26 45 1 27 48 1 28 29 1 28 47 1 29 50 1 30 38 1 31 35 1 40 31 -1 39 32 -2 41 33 -2 50 34 -1 35 36 1 37 38 1 39 46 1 40 41 1 40 42 1 41 49 1 42 43 1 43 49 1 44 46 1 44 47 1 45 48 1 45 49 1 46 50 1 47 48 1', '50 55 H 17.82 -15.04 H 21.59 -9.37 H 19.08 -12.84 H 22.85 -10.76 C:110 22.64 -5.83 C:56 7.92 -17.02 C:20 20.80 -7.52 C:31 17.14 -15.75 C:20 15.22 -15.16 C:15 21.59 -13.37 C:17 20.33 -11.19 C:19 17.82 -11.19 O 14.69 -10.61 O 25.33 -12.55 O 14.23 -15.80 O 17.01 -9.87 O 26.57 -10.43 O 7.92 -14.57 C:125 11.43 -13.37 C:114 10.03 -13.37 C:116 11.43 -15.80 C:31 24.61 -8.12 C:38 25.19 -9.43 C:19 19.08 -14.83 C:26 20.33 -9.68 C:24 19.08 -10.43 C:35 20.33 -14.12 C:31 22.85 -12.63 C:33 24.13 -11.91 O 9.33 -17.02 O 14.23 -13.37 C:151 22.20 -7.21 C:177 16.06 -10.90 C:179 25.33 -11.19 C:166 13.53 -14.57 C:122 12.13 -14.57 C:153 9.33 -14.57 C:149 10.03 -15.80 C:48 23.15 -8.28 C:86 15.63 -13.37 C:64 16.48 -12.23 C:44 16.48 -14.51 C:57 17.82 -14.12 C:39 21.59 -10.43 C:45 19.08 -11.91 C:50 22.85 -9.68 C:42 21.59 -11.91 C:44 20.33 -12.63 C:50 17.82 -12.63 C:57 24.13 -10.43 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 32 2 6 30 1 7 32 1 42 8 -2 42 9 -1 47 10 -2 48 11 -1 49 12 -1 13 33 2 14 34 2 15 35 2 16 33 1 17 34 1 18 37 1 19 20 1 19 36 2 20 37 2 21 36 1 21 38 2 22 23 1 22 39 1 23 50 1 24 27 1 24 43 1 25 26 1 25 44 1 26 45 1 27 48 1 28 29 1 28 47 1 29 50 1 30 38 1 31 35 1 40 31 -1 39 32 -2 41 33 -2 50 34 -1 35 36 1 37 38 1 39 46 1 40 41 1 40 42 1 41 49 1 42 43 1 43 49 1 44 46 1 44 47 1 45 48 1 45 49 1 46 50 1 47 48 1', 'C38H52O8', 636.434, 'P', 'cpb06_535_1', 4714, '', '', '1', 47, NULL, NULL),
(18723, '2-O-E-p-Coumaroylalphitolic Acid', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]46[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][C@@H:2](O)[C@H:3](O[C:3001](=O)[CH:3002]=[CH:3003][c:3004]5[cH:3009][cH:3008][c:3007](O)[cH:3006][cH:3005]5)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]46CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)O)CC[C@]23C)[C@@]4(C)C[C@@H](O)[C@H](OC(=O)C=Cc5ccc(O)cc5)[C@@]6(C)C', '[H][C@@:56]46[CH2:19][CH2:35][C@:41]3([CH3:16])[C@:51]([H])([CH2:21][CH2:26][C@:39]2([H])[C@@:50]1([H])[C@H:48]([C:151](=[CH2:110])[CH3:19])[CH2:31][CH2:38][C@:57]1([C:179](=O)O)[CH2:33][CH2:30][C@:43]23[CH3:15])[C@@:39]4([CH3:17])[CH2:45][C@@H:74](O)[C@H:80](O[C:168](=O)[CH:116]=[CH:145][c:126]5[cH:131][cH:117][c:161](O)[cH:117][cH:131]5)[C@@:41]6([CH3:17])[CH3:29]', '49 54 H 18.99 -15.07 H 22.76 -9.48 H 20.25 -12.89 H 24.02 -10.83 C:29 23.81 -5.96 C:30 21.97 -7.64 C:24 16.78 -16.12 C:23 18.57 -16.06 C:25 18.99 -11.24 C:27 22.76 -13.40 C:26 21.50 -11.24 O 14.06 -12.71 O 26.51 -12.61 O 27.73 -10.51 O 6.79 -16.91 O 15.28 -12.01 C:3002 12.85 -14.81 C:3003 11.63 -14.11 C:3008 8.00 -14.81 C:3006 9.21 -16.91 C:3009 9.21 -14.11 C:3005 10.42 -16.21 C:21 25.76 -8.23 C:22 26.35 -9.54 C:12 21.50 -9.78 C:11 20.25 -10.51 C:6 20.25 -14.86 C:7 21.50 -14.14 C:15 24.02 -12.67 C:16 25.30 -11.95 C:1 17.74 -11.95 O 15.28 -14.81 C:20 23.37 -7.34 C:3001 14.06 -14.11 C:28 26.51 -11.21 C:3007 8.00 -16.21 C:3004 10.42 -14.81 C:2 16.49 -12.67 C:19 24.33 -8.39 C:3 16.49 -14.14 C:4 17.74 -14.86 C:5 18.99 -14.14 C:13 22.76 -10.51 C:9 20.25 -11.95 C:18 24.02 -9.78 C:10 18.99 -12.67 C:14 22.76 -11.95 C:8 21.50 -12.67 C:17 25.30 -10.51 42 1 -2 43 2 -1 44 3 -2 45 4 -2 5 33 2 6 33 1 41 7 -1 41 8 -2 46 9 -1 47 10 -2 48 11 -1 12 34 2 13 35 2 14 35 1 15 36 1 38 16 -2 17 18 2 17 34 1 18 37 1 19 21 2 19 36 1 20 22 1 20 36 2 21 37 1 22 37 2 23 24 1 23 39 1 24 49 1 25 26 1 25 43 1 26 44 1 27 28 1 27 42 1 28 48 1 29 30 1 29 47 1 30 49 1 31 38 1 31 46 1 32 34 1 40 32 -1 39 33 -2 49 35 -1 38 40 1 39 45 1 40 41 1 41 42 1 42 46 1 43 45 1 43 47 1 44 46 1 44 48 1 45 49 1 47 48 1', '49 54 H 18.99 -15.07 H 22.76 -9.48 H 20.25 -12.89 H 24.02 -10.83 C 23.81 -5.96 C 21.97 -7.64 C 16.78 -16.12 C 18.57 -16.06 C 18.99 -11.24 C 22.76 -13.40 C 21.50 -11.24 O 14.06 -12.71 O 26.51 -12.61 O 27.73 -10.51 O 6.79 -16.91 O 15.28 -12.01 C 12.85 -14.81 C 11.63 -14.11 C 8.00 -14.81 C 9.21 -16.91 C 9.21 -14.11 C 10.42 -16.21 C 25.76 -8.23 C 26.35 -9.54 C 21.50 -9.78 C 20.25 -10.51 C 20.25 -14.86 C 21.50 -14.14 C 24.02 -12.67 C 25.30 -11.95 C 17.74 -11.95 O 15.28 -14.81 C 23.37 -7.34 C 14.06 -14.11 C 26.51 -11.21 C 8.00 -16.21 C 10.42 -14.81 C 16.49 -12.67 C 24.33 -8.39 C 16.49 -14.14 C 17.74 -14.86 C 18.99 -14.14 C 22.76 -10.51 C 20.25 -11.95 C 24.02 -9.78 C 18.99 -12.67 C 22.76 -11.95 C 21.50 -12.67 C 25.30 -10.51 42 1 -2 43 2 -1 44 3 -2 45 4 -2 5 33 2 6 33 1 41 7 -1 41 8 -2 46 9 -1 47 10 -2 48 11 -1 12 34 2 13 35 2 14 35 1 15 36 1 38 16 -2 17 18 2 17 34 1 18 37 1 19 21 2 19 36 1 20 22 1 20 36 2 21 37 1 22 37 2 23 24 1 23 39 1 24 49 1 25 26 1 25 43 1 26 44 1 27 28 1 27 42 1 28 48 1 29 30 1 29 47 1 30 49 1 31 38 1 31 46 1 32 34 1 40 32 -1 39 33 -2 49 35 -1 38 40 1 39 45 1 40 41 1 41 42 1 42 46 1 43 45 1 43 47 1 44 46 1 44 48 1 45 49 1 47 48 1', '49 54 H 18.99 -15.07 H 22.76 -9.48 H 20.25 -12.89 H 24.02 -10.83 C:110 23.81 -5.96 C:19 21.97 -7.64 C:17 16.78 -16.12 C:29 18.57 -16.06 C:17 18.99 -11.24 C:15 22.76 -13.40 C:16 21.50 -11.24 O 14.06 -12.71 O 26.51 -12.61 O 27.73 -10.51 O 6.79 -16.91 O 15.28 -12.01 C:116 12.85 -14.81 C:145 11.63 -14.11 C:117 8.00 -14.81 C:117 9.21 -16.91 C:131 9.21 -14.11 C:131 10.42 -16.21 C:31 25.76 -8.23 C:38 26.35 -9.54 C:26 21.50 -9.78 C:21 20.25 -10.51 C:19 20.25 -14.86 C:35 21.50 -14.14 C:30 24.02 -12.67 C:33 25.30 -11.95 C:45 17.74 -11.95 O 15.28 -14.81 C:151 23.37 -7.34 C:168 14.06 -14.11 C:179 26.51 -11.21 C:161 8.00 -16.21 C:126 10.42 -14.81 C:74 16.49 -12.67 C:48 24.33 -8.39 C:80 16.49 -14.14 C:41 17.74 -14.86 C:56 18.99 -14.14 C:39 22.76 -10.51 C:51 20.25 -11.95 C:50 24.02 -9.78 C:39 18.99 -12.67 C:43 22.76 -11.95 C:41 21.50 -12.67 C:57 25.30 -10.51 42 1 -2 43 2 -1 44 3 -2 45 4 -2 5 33 2 6 33 1 41 7 -1 41 8 -2 46 9 -1 47 10 -2 48 11 -1 12 34 2 13 35 2 14 35 1 15 36 1 38 16 -2 17 18 2 17 34 1 18 37 1 19 21 2 19 36 1 20 22 1 20 36 2 21 37 1 22 37 2 23 24 1 23 39 1 24 49 1 25 26 1 25 43 1 26 44 1 27 28 1 27 42 1 28 48 1 29 30 1 29 47 1 30 49 1 31 38 1 31 46 1 32 34 1 40 32 -1 39 33 -2 49 35 -1 38 40 1 39 45 1 40 41 1 41 42 1 42 46 1 43 45 1 43 47 1 44 46 1 44 48 1 45 49 1 47 48 1', 'C39H54O6', 618.445, 'P', 'cpb06_535_5', 4714, '', '', '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
(18735, 'chiisanoside', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@:13]37[CH2:12][C@H:11]1O[C:3](=O)[CH2:2][C@H:1](O)[C@@:10]2([CH3:25])[C@H:5]([C:4](=[CH2:23])[CH3:24])[CH2:6][CH2:7][C@:8]([CH3:26])([C@:9]12[H])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]8([C:28](=O)O[C@@H:101]6O[C@H:105]([CH2:106]O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@@H:204](O[C@@H:301]4O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]4O)[C@H:203](O)[C@H:202]5O)[C@@H:104](O)[C@H:103](O)[C@H:102]6O)[CH2:22][CH2:21][C@@H:19]([C:20](=[CH2:29])[CH3:30])[C@:18]78[H]', '[H][C@]37C[C@H]1OC(=O)C[C@H](O)[C@@]2(C)[C@H](C(=C)C)CC[C@](C)([C@]12[H])[C@]3(C)CC[C@@]8(C(=O)O[C@@H]6O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@H](C(=C)C)[C@]78[H]', '[H][C@:35]37[CH2:33][C@H:75]1O[C:173](=O)[CH2:39][C@H:70](O)[C@@:44]2([CH3:19])[C@H:50]([C:148](=[CH2:114])[CH3:24])[CH2:25][CH2:32][C@:42]([CH3:18])([C@:44]12[H])[C@:42]3([CH3:14])[CH2:30][CH2:32][C@@:57]8([C:175](=O)O[C@@H:95]6O[C@H:77]([CH2:69]O[C@@H:105]5O[C@H:78]([CH2:61]O)[C@@H:79](O[C@@H:103]4O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:73]4O)[C@H:76](O)[C@H:75]5O)[C@@H:71](O)[C@H:78](O)[C@H:74]6O)[CH2:37][CH2:31][C@@H:48]([C:150](=[CH2:111])[CH3:19])[C@:50]78[H]', '70 77 H 11.22 -9.50 H 12.50 -10.88 H 8.72 -12.94 C:29 12.29 -6.02 C:23 6.19 -16.28 C:30 10.44 -7.68 C:24 4.97 -14.17 C:306 27.07 -12.70 C:27 11.22 -13.44 C:26 9.96 -11.29 C:25 7.47 -11.29 O 5.88 -8.50 O 16.16 -10.54 O 24.69 -12.66 O 5.15 -13.17 O 29.52 -11.36 O 19.80 -15.47 O 29.52 -8.47 O 17.38 -16.88 O 14.94 -15.47 O 19.80 -8.47 O 27.11 -7.08 O 22.20 -7.06 C:206 24.69 -11.29 C:6 8.72 -14.89 C:21 14.21 -8.27 C:7 9.96 -14.17 C:15 12.50 -12.75 C:22 14.79 -9.56 C:16 13.75 -12.04 C:106 19.80 -12.66 C:2 5.77 -10.88 C:12 9.96 -9.80 O 19.80 -11.29 O 7.98 -9.62 O 14.94 -12.66 O 25.88 -10.57 O 22.24 -11.29 O 17.38 -12.66 O 24.69 -8.47 C:20 11.84 -7.38 C:4 6.19 -14.89 C:3 6.57 -9.72 C:28 14.94 -11.26 C:305 27.07 -11.29 C:1 6.19 -12.22 C:205 23.44 -10.57 C:105 18.59 -13.37 C:304 28.32 -10.62 C:104 18.59 -14.77 C:303 28.32 -9.21 C:103 17.38 -15.47 C:102 16.16 -14.77 C:202 21.03 -9.17 C:302 27.11 -8.47 C:203 22.24 -8.47 C:11 8.72 -10.54 C:201 21.03 -10.57 C:101 16.16 -13.37 C:301 25.88 -9.17 C:19 12.79 -8.43 C:5 7.47 -14.17 C:204 23.44 -9.17 C:13 11.22 -10.54 C:18 12.50 -9.80 C:9 8.72 -12.04 C:14 11.22 -12.04 C:8 9.96 -12.75 C:10 7.47 -12.75 C:17 13.75 -10.54 64 1 -1 65 2 -2 66 3 -2 4 41 2 5 42 2 6 41 1 7 42 1 45 8 -2 67 9 -2 68 10 -1 69 11 -1 12 43 2 13 44 2 14 24 1 46 15 -1 49 16 -1 50 17 -1 51 18 -2 52 19 -2 53 20 -1 54 21 -2 55 22 -2 56 23 -1 47 24 -1 25 27 1 25 62 1 26 29 1 26 61 1 27 68 1 28 30 1 28 67 1 29 70 1 30 70 1 31 34 1 48 31 -2 32 43 1 32 46 1 33 57 1 33 64 1 58 34 -1 35 43 1 57 35 -2 36 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-6.02 C:114 6.19 -16.28 C:19 10.44 -7.68 C:24 4.97 -14.17 C:19 27.07 -12.70 C:14 11.22 -13.44 C:18 9.96 -11.29 C:19 7.47 -11.29 O 5.88 -8.50 O 16.16 -10.54 O 24.69 -12.66 O 5.15 -13.17 O 29.52 -11.36 O 19.80 -15.47 O 29.52 -8.47 O 17.38 -16.88 O 14.94 -15.47 O 19.80 -8.47 O 27.11 -7.08 O 22.20 -7.06 C:61 24.69 -11.29 C:25 8.72 -14.89 C:31 14.21 -8.27 C:32 9.96 -14.17 C:30 12.50 -12.75 C:37 14.79 -9.56 C:32 13.75 -12.04 C:69 19.80 -12.66 C:39 5.77 -10.88 C:33 9.96 -9.80 O 19.80 -11.29 O 7.98 -9.62 O 14.94 -12.66 O 25.88 -10.57 O 22.24 -11.29 O 17.38 -12.66 O 24.69 -8.47 C:150 11.84 -7.38 C:148 6.19 -14.89 C:173 6.57 -9.72 C:175 14.94 -11.26 C:70 27.07 -11.29 C:70 6.19 -12.22 C:78 23.44 -10.57 C:77 18.59 -13.37 C:74 28.32 -10.62 C:71 18.59 -14.77 C:73 28.32 -9.21 C:78 17.38 -15.47 C:74 16.16 -14.77 C:75 21.03 -9.17 C:73 27.11 -8.47 C:76 22.24 -8.47 C:75 8.72 -10.54 C:105 21.03 -10.57 C:95 16.16 -13.37 C:103 25.88 -9.17 C:48 12.79 -8.43 C:50 7.47 -14.17 C:79 23.44 -9.17 C:35 11.22 -10.54 C:50 12.50 -9.80 C:44 8.72 -12.04 C:42 11.22 -12.04 C:42 9.96 -12.75 C:44 7.47 -12.75 C:57 13.75 -10.54 64 1 -1 65 2 -2 66 3 -2 4 41 2 5 42 2 6 41 1 7 42 1 45 8 -2 67 9 -2 68 10 -1 69 11 -1 12 43 2 13 44 2 14 24 1 46 15 -1 49 16 -1 50 17 -1 51 18 -2 52 19 -2 53 20 -1 54 21 -2 55 22 -2 56 23 -1 47 24 -1 25 27 1 25 62 1 26 29 1 26 61 1 27 68 1 28 30 1 28 67 1 29 70 1 30 70 1 31 34 1 48 31 -2 32 43 1 32 46 1 33 57 1 33 64 1 58 34 -1 35 43 1 57 35 -2 36 44 1 59 36 -2 37 45 1 37 60 1 38 47 1 38 58 1 39 48 1 39 59 1 60 40 -1 63 40 -2 61 41 -2 62 42 -1 70 44 -1 45 49 1 46 69 1 47 63 1 48 50 1 49 51 1 50 52 1 51 55 1 52 53 1 53 59 1 54 56 1 54 58 1 55 60 1 56 63 1 57 66 1 61 65 1 62 69 1 64 65 1 64 67 1 65 70 1 66 68 1 66 69 1 67 68 1', 'C48H74O19', 954.526, 'P', 'jafc06_335_2', 4717, '', '', '1', 47, NULL, NULL),
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(18747, '', 'methyl 4,5-O-dimethyl-gallate 3-O-α-D-glucopyranoside', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:7001]O[C:7](=O)[c:1]2[cH:6][c:5](O[CH3:5001])[c:4](O[CH3:4001])[c:3](O[C@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[cH:2]2', 'COC(=O)c2cc(OC)c(OC)c(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2', '[CH3:52]O[C:167](=O)[c:126]2[cH:108][c:154](O[CH3:56])[c:144](O[CH3:61])[c:152](O[C@H:103]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:75]1O)[cH:112]2', '26 27 C:7001 22.70 -7.91 C:5001 15.43 -6.51 C:4001 14.20 -10.09 O 20.27 -6.54 O 11.77 -12.78 O 15.40 -16.29 O 12.98 -14.87 O 17.84 -14.90 C:6 17.84 -7.91 C:2 19.04 -10.04 C:106 12.98 -12.08 O 21.49 -8.62 O 15.43 -7.91 O 15.41 -10.76 O 17.84 -12.11 O 15.40 -12.09 C:7 20.27 -7.91 C:1 19.04 -8.62 C:5 16.63 -8.62 C:3 17.84 -10.71 C:4 16.63 -10.04 C:103 15.40 -14.89 C:104 14.20 -14.18 C:102 16.63 -14.20 C:105 14.20 -12.78 C:101 16.63 -12.80 1 12 1 2 13 1 3 14 1 4 17 2 5 11 1 22 6 -1 23 7 -2 24 8 -2 9 18 2 9 19 1 10 18 1 10 20 2 25 11 -1 12 17 1 13 19 1 14 21 1 15 20 1 26 15 -2 16 25 1 16 26 1 17 18 1 19 21 2 20 21 1 22 23 1 22 24 1 23 25 1 24 26 1', '26 27 C 22.70 -7.91 C 15.43 -6.51 C 14.20 -10.09 O 20.27 -6.54 O 11.77 -12.78 O 15.40 -16.29 O 12.98 -14.87 O 17.84 -14.90 C 17.84 -7.91 C 19.04 -10.04 C 12.98 -12.08 O 21.49 -8.62 O 15.43 -7.91 O 15.41 -10.76 O 17.84 -12.11 O 15.40 -12.09 C 20.27 -7.91 C 19.04 -8.62 C 16.63 -8.62 C 17.84 -10.71 C 16.63 -10.04 C 15.40 -14.89 C 14.20 -14.18 C 16.63 -14.20 C 14.20 -12.78 C 16.63 -12.80 1 12 1 2 13 1 3 14 1 4 17 2 5 11 1 22 6 -1 23 7 -2 24 8 -2 9 18 2 9 19 1 10 18 1 10 20 2 25 11 -1 12 17 1 13 19 1 14 21 1 15 20 1 26 15 -2 16 25 1 16 26 1 17 18 1 19 21 2 20 21 1 22 23 1 22 24 1 23 25 1 24 26 1', '26 27 C:52 22.70 -7.91 C:56 15.43 -6.51 C:61 14.20 -10.09 O 20.27 -6.54 O 11.77 -12.78 O 15.40 -16.29 O 12.98 -14.87 O 17.84 -14.90 C:108 17.84 -7.91 C:112 19.04 -10.04 C:62 12.98 -12.08 O 21.49 -8.62 O 15.43 -7.91 O 15.41 -10.76 O 17.84 -12.11 O 15.40 -12.09 C:167 20.27 -7.91 C:126 19.04 -8.62 C:154 16.63 -8.62 C:152 17.84 -10.71 C:144 16.63 -10.04 C:79 15.40 -14.89 C:71 14.20 -14.18 C:75 16.63 -14.20 C:79 14.20 -12.78 C:103 16.63 -12.80 1 12 1 2 13 1 3 14 1 4 17 2 5 11 1 22 6 -1 23 7 -2 24 8 -2 9 18 2 9 19 1 10 18 1 10 20 2 25 11 -1 12 17 1 13 19 1 14 21 1 15 20 1 26 15 -2 16 25 1 16 26 1 17 18 1 19 21 2 20 21 1 22 23 1 22 24 1 23 25 1 24 26 1', 'C16H22O10', 374.165, 'P', 'jipb05_251_12', 4718, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(18748, '', '3,4′-O-dimethylellagic acid 4-O-β-D-xyloside', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:104001]O[c:104]2[cH:103][c:102]3o[c:7](=O)[c:6]4[cH:5][c:4](O[C@@H:201]1O[CH2:205][C@@H:204](O)[C@H:203](O)[C@H:202]1O)[c:3](O[CH3:3001])[c:2]5o[c:107](=O)[c:106]([cH:105]2)[c:101]3[c:1]45', 'COc2cc3oc(=O)c4cc(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)c(OC)c5oc(=O)c(c2)c3c45', '[CH3:57]O[c:148]2[cH:137][c:142]3o[c:159](=O)[c:114]4[cH:112][c:155](O[C@@H:103]1O[CH2:67][C@@H:70](O)[C@H:76](O)[C@H:74]1O)[c:142](O[CH3:62])[c:142]5o[c:159](=O)[c:114]([cH:108]2)[c:114]3[c:115]45', '32 36 C:104001 24.54 -8.65 C:3001 18.49 -14.95 O 16.07 -7.95 O 22.14 -12.85 O 10.00 -10.06 O 10.00 -12.85 O 12.44 -14.25 C:103 20.92 -7.95 C:105 22.14 -10.06 C:5 16.07 -10.75 C:205 12.44 -10.06 O 23.33 -7.95 O 17.28 -14.25 O 13.64 -10.74 O 14.85 -12.85 O 18.49 -7.95 O 19.70 -12.85 C:104 22.14 -8.65 C:4 16.07 -12.15 C:3 17.28 -12.85 C:7 17.28 -8.65 C:107 20.92 -12.15 C:102 19.70 -8.65 C:106 20.92 -10.74 C:6 17.28 -10.06 C:2 18.49 -12.15 C:101 19.70 -10.06 C:1 18.49 -10.74 C:204 11.21 -10.75 C:203 11.21 -12.15 C:202 12.44 -12.85 C:201 13.64 -12.15 1 12 1 2 13 1 3 21 2 4 22 2 29 5 -2 30 6 -1 31 7 -2 8 18 1 8 23 2 9 18 2 9 24 1 10 19 2 10 25 1 11 14 1 11 29 1 12 18 1 13 20 1 14 32 1 19 15 -1 32 15 -1 16 21 1 16 23 1 17 22 1 17 26 1 19 20 1 20 26 2 21 25 1 22 24 1 23 27 1 24 27 2 25 28 2 26 28 1 27 28 1 29 30 1 30 31 1 31 32 1', '32 36 C 24.54 -8.65 C 18.49 -14.95 O 16.07 -7.95 O 22.14 -12.85 O 10.00 -10.06 O 10.00 -12.85 O 12.44 -14.25 C 20.92 -7.95 C 22.14 -10.06 C 16.07 -10.75 C 12.44 -10.06 O 23.33 -7.95 O 17.28 -14.25 O 13.64 -10.74 O 14.85 -12.85 O 18.49 -7.95 O 19.70 -12.85 C 22.14 -8.65 C 16.07 -12.15 C 17.28 -12.85 C 17.28 -8.65 C 20.92 -12.15 C 19.70 -8.65 C 20.92 -10.74 C 17.28 -10.06 C 18.49 -12.15 C 19.70 -10.06 C 18.49 -10.74 C 11.21 -10.75 C 11.21 -12.15 C 12.44 -12.85 C 13.64 -12.15 1 12 1 2 13 1 3 21 2 4 22 2 29 5 -2 30 6 -1 31 7 -2 8 18 1 8 23 2 9 18 2 9 24 1 10 19 2 10 25 1 11 14 1 11 29 1 12 18 1 13 20 1 14 32 1 19 15 -1 32 15 -1 16 21 1 16 23 1 17 22 1 17 26 1 19 20 1 20 26 2 21 25 1 22 24 1 23 27 1 24 27 2 25 28 2 26 28 1 27 28 1 29 30 1 30 31 1 31 32 1', '32 36 C:57 24.54 -8.65 C:62 18.49 -14.95 O 16.07 -7.95 O 22.14 -12.85 O 10.00 -10.06 O 10.00 -12.85 O 12.44 -14.25 C:137 20.92 -7.95 C:108 22.14 -10.06 C:112 16.07 -10.75 C:67 12.44 -10.06 O 23.33 -7.95 O 17.28 -14.25 O 13.64 -10.74 O 14.85 -12.85 O 18.49 -7.95 O 19.70 -12.85 C:148 22.14 -8.65 C:155 16.07 -12.15 C:142 17.28 -12.85 C:159 17.28 -8.65 C:159 20.92 -12.15 C:142 19.70 -8.65 C:114 20.92 -10.74 C:114 17.28 -10.06 C:142 18.49 -12.15 C:114 19.70 -10.06 C:115 18.49 -10.74 C:70 11.21 -10.75 C:76 11.21 -12.15 C:74 12.44 -12.85 C:103 13.64 -12.15 1 12 1 2 13 1 3 21 2 4 22 2 29 5 -2 30 6 -1 31 7 -2 8 18 1 8 23 2 9 18 2 9 24 1 10 19 2 10 25 1 11 14 1 11 29 1 12 18 1 13 20 1 14 32 1 19 15 -1 32 15 -1 16 21 1 16 23 1 17 22 1 17 26 1 19 20 1 20 26 2 21 25 1 22 24 1 23 27 1 24 27 2 25 28 2 26 28 1 27 28 1 29 30 1 30 31 1 31 32 1', 'C21H18O11', 446.218, 'D', 'jipb05_251_13', 4718, '', '', '1', 47, NULL, NULL),
(18749, '', '3β-O-α-L-arabinopyranosyl-19α-hydroxyurs-12-en-28-oic acid 28-β-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]46[CH2:11][CH:12]=[C:13]2[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]3([C:28](=O)O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]23[H])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]7([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O[C@@H:101]5O[CH2:105][C@H:104](O)[C@H:103](O)[C@H:102]5O)[CH2:2][CH2:1][C@:10]67[CH3:25]', '[H][C@]46CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@@]7([H])[C@](C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]67C', '[H][C@:48]46[CH2:24][CH:128]=[C:139]2[C@@:42]([CH3:25])([CH2:29][CH2:26][C@@:49]3([C:177](=O)O[C@@H:96]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[CH2:38][CH2:26][C@@H:42]([CH3:17])[C@@:73]([CH3:27])(O)[C@@:54]23[H])[C@:41]4([CH3:17])[CH2:34][CH2:19][C@@:56]7([H])[C@:40]([CH3:17])([CH3:28])[C@@H:89](O[C@@H:108]5O[CH2:67][C@H:70](O)[C@H:75](O)[C@H:73]5O)[CH2:27][CH2:39][C@:37]67[CH3:16]', '57 63 H 15.97 -13.18 H 14.76 -15.40 H 19.66 -11.24 C:30 20.90 -6.44 C:24 12.59 -16.19 C:23 14.35 -16.19 C:29 18.94 -7.39 C:27 18.42 -13.56 C:26 17.22 -11.45 C:25 14.76 -11.45 O 22.11 -12.82 O 28.18 -9.34 O 6.25 -12.17 O 6.25 -14.98 O 25.78 -14.93 O 28.21 -13.49 O 8.69 -16.38 O 23.32 -13.49 O 18.26 -8.62 C:12 17.22 -10.02 C:206 28.18 -10.74 C:21 22.17 -8.59 C:2 12.29 -12.88 C:11 15.97 -10.74 C:1 13.52 -12.17 C:22 22.17 -10.02 C:15 19.66 -12.88 C:6 15.97 -14.98 C:7 17.22 -14.28 C:16 20.90 -12.17 C:105 8.69 -12.17 O 9.88 -12.88 O 23.32 -10.74 O 25.78 -10.74 O 11.09 -14.98 C:28 22.11 -11.45 C:13 18.42 -10.74 C:20 20.90 -7.86 C:104 7.47 -12.88 C:103 7.47 -14.28 C:203 25.78 -13.53 C:204 26.98 -12.82 C:102 8.69 -14.98 C:202 24.55 -12.82 C:205 26.98 -11.45 C:3 12.29 -14.28 C:101 9.88 -14.28 C:201 24.55 -11.45 C:4 13.52 -14.98 C:19 19.66 -8.59 C:14 18.42 -12.17 C:9 15.97 -12.17 C:5 14.76 -14.28 C:18 19.66 -10.02 C:8 17.22 -12.88 C:10 14.76 -12.88 C:17 20.90 -10.74 52 1 -2 53 2 -2 54 3 -1 38 4 -2 49 5 -1 49 6 -2 50 7 -1 51 8 -2 55 9 -1 56 10 -1 11 36 2 12 21 1 39 13 -1 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -1 50 19 -2 20 24 1 20 37 2 45 21 -2 22 26 1 22 38 1 23 25 1 23 46 1 24 52 1 25 56 1 26 57 1 27 30 1 27 51 1 28 29 1 28 53 1 29 55 1 30 57 1 31 32 1 31 39 1 32 47 1 33 36 1 48 33 -2 34 45 1 34 48 1 46 35 -1 47 35 -1 57 36 -1 37 51 1 37 54 1 38 50 1 39 40 1 40 43 1 41 42 1 41 44 1 42 45 1 43 47 1 44 48 1 46 49 1 49 53 1 50 54 1 51 55 1 52 55 1 52 56 1 53 56 1 54 57 1', '57 63 H 15.97 -13.18 H 14.76 -15.40 H 19.66 -11.24 C 20.90 -6.44 C 12.59 -16.19 C 14.35 -16.19 C 18.94 -7.39 C 18.42 -13.56 C 17.22 -11.45 C 14.76 -11.45 O 22.11 -12.82 O 28.18 -9.34 O 6.25 -12.17 O 6.25 -14.98 O 25.78 -14.93 O 28.21 -13.49 O 8.69 -16.38 O 23.32 -13.49 O 18.26 -8.62 C 17.22 -10.02 C 28.18 -10.74 C 22.17 -8.59 C 12.29 -12.88 C 15.97 -10.74 C 13.52 -12.17 C 22.17 -10.02 C 19.66 -12.88 C 15.97 -14.98 C 17.22 -14.28 C 20.90 -12.17 C 8.69 -12.17 O 9.88 -12.88 O 23.32 -10.74 O 25.78 -10.74 O 11.09 -14.98 C 22.11 -11.45 C 18.42 -10.74 C 20.90 -7.86 C 7.47 -12.88 C 7.47 -14.28 C 25.78 -13.53 C 26.98 -12.82 C 8.69 -14.98 C 24.55 -12.82 C 26.98 -11.45 C 12.29 -14.28 C 9.88 -14.28 C 24.55 -11.45 C 13.52 -14.98 C 19.66 -8.59 C 18.42 -12.17 C 15.97 -12.17 C 14.76 -14.28 C 19.66 -10.02 C 17.22 -12.88 C 14.76 -12.88 C 20.90 -10.74 52 1 -2 53 2 -2 54 3 -1 38 4 -2 49 5 -1 49 6 -2 50 7 -1 51 8 -2 55 9 -1 56 10 -1 11 36 2 12 21 1 39 13 -1 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -1 50 19 -2 20 24 1 20 37 2 45 21 -2 22 26 1 22 38 1 23 25 1 23 46 1 24 52 1 25 56 1 26 57 1 27 30 1 27 51 1 28 29 1 28 53 1 29 55 1 30 57 1 31 32 1 31 39 1 32 47 1 33 36 1 48 33 -2 34 45 1 34 48 1 46 35 -1 47 35 -1 57 36 -1 37 51 1 37 54 1 38 50 1 39 40 1 40 43 1 41 42 1 41 44 1 42 45 1 43 47 1 44 48 1 46 49 1 49 53 1 50 54 1 51 55 1 52 55 1 52 56 1 53 56 1 54 57 1', '57 63 H 15.97 -13.18 H 14.76 -15.40 H 19.66 -11.24 C:17 20.90 -6.44 C:17 12.59 -16.19 C:28 14.35 -16.19 C:27 18.94 -7.39 C:25 18.42 -13.56 C:17 17.22 -11.45 C:16 14.76 -11.45 O 22.11 -12.82 O 28.18 -9.34 O 6.25 -12.17 O 6.25 -14.98 O 25.78 -14.93 O 28.21 -13.49 O 8.69 -16.38 O 23.32 -13.49 O 18.26 -8.62 C:128 17.22 -10.02 C:62 28.18 -10.74 C:26 22.17 -8.59 C:27 12.29 -12.88 C:24 15.97 -10.74 C:39 13.52 -12.17 C:38 22.17 -10.02 C:29 19.66 -12.88 C:19 15.97 -14.98 C:34 17.22 -14.28 C:26 20.90 -12.17 C:67 8.69 -12.17 O 9.88 -12.88 O 23.32 -10.74 O 25.78 -10.74 O 11.09 -14.98 C:177 22.11 -11.45 C:139 18.42 -10.74 C:42 20.90 -7.86 C:70 7.47 -12.88 C:75 7.47 -14.28 C:79 25.78 -13.53 C:71 26.98 -12.82 C:73 8.69 -14.98 C:74 24.55 -12.82 C:79 26.98 -11.45 C:89 12.29 -14.28 C:108 9.88 -14.28 C:96 24.55 -11.45 C:40 13.52 -14.98 C:73 19.66 -8.59 C:42 18.42 -12.17 C:48 15.97 -12.17 C:56 14.76 -14.28 C:54 19.66 -10.02 C:41 17.22 -12.88 C:37 14.76 -12.88 C:49 20.90 -10.74 52 1 -2 53 2 -2 54 3 -1 38 4 -2 49 5 -1 49 6 -2 50 7 -1 51 8 -2 55 9 -1 56 10 -1 11 36 2 12 21 1 39 13 -1 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -1 50 19 -2 20 24 1 20 37 2 45 21 -2 22 26 1 22 38 1 23 25 1 23 46 1 24 52 1 25 56 1 26 57 1 27 30 1 27 51 1 28 29 1 28 53 1 29 55 1 30 57 1 31 32 1 31 39 1 32 47 1 33 36 1 48 33 -2 34 45 1 34 48 1 46 35 -1 47 35 -1 57 36 -1 37 51 1 37 54 1 38 50 1 39 40 1 40 43 1 41 42 1 41 44 1 42 45 1 43 47 1 44 48 1 46 49 1 49 53 1 50 54 1 51 55 1 52 55 1 52 56 1 53 56 1 54 57 1', 'C41H66O13', 766.455, 'P', 'jipb05_251_14', 4718, '', '', '1', 47, NULL, NULL),
(18750, '', '23-hydroxy-3β-[(O-R-L-rhamnopyranosyl-(1-2)-O-[O-β-D-glucopyranosyl-(1-4)]-R-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@:13]67[CH2:12][CH2:11][C@:9]5([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]2O[CH2:105][C@H:104](O[C@@H:301]1O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]1O)[C@H:103](O)[C@H:102]2O[C@@H:201]3O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]3O)[C@@:4]([CH3:24])([CH2:23]O)[C@:5]4([H])[CH2:6][CH2:7][C@@:8]5([CH3:26])[C@:14]6([CH3:27])[CH2:15][CH2:16][C@@:17]8([C:28](=O)O)[CH2:22][CH2:21][C@@H:19]([C:20](=[CH2:29])[CH3:30])[C@:18]78[H]', '[H][C@]67CC[C@]5([H])[C@@]4(C)CC[C@H](O[C@@H]2OC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@](C)(CO)[C@]4([H])CC[C@@]5(C)[C@]6(C)CC[C@@]8(C(=O)O)CC[C@@H](C(=C)C)[C@]78[H]', 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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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