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
(15648, '', '(R,5E,9E)-13-hydroxy-14-methoxy-6,10,14-trimethylpentadeca-5,9-dien-2-one', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:14001]O[C:14]([CH3:15])([CH3:16])[C@H:13](O)[CH2:12][CH2:11][C:10]([CH3:17])=[CH:9][CH2:8][CH2:7][C:6]([CH3:18])=[CH:5][CH2:4][CH2:3][C:2]([CH3:1])=O', 'COC(C)(C)[C@H](O)CCC(C)=CCCC(C)=CCCC(C)=O', '[CH3:49]O[C:78]([CH3:21])([CH3:19])[C@H:77](O)[CH2:30][CH2:37][C:135]([CH3:16])=[CH:125][CH2:27][CH2:40][C:137]([CH3:16])=[CH:123][CH2:23][CH2:44][C:209]([CH3:30])=O', '22 21 C:14001 8.15 -11.76 C:1 26.34 -11.06 C:18 20.28 -13.16 C:17 15.42 -13.16 C:15 9.37 -11.06 C:16 10.58 -13.16 O 25.13 -13.16 O 11.79 -9.66 C:5 21.49 -11.06 C:9 16.63 -11.06 C:4 22.71 -11.76 C:8 17.86 -11.76 C:3 23.92 -11.06 C:7 19.07 -11.06 C:11 14.22 -11.06 C:12 13.01 -11.76 O 9.37 -12.46 C:2 25.13 -11.76 C:6 20.28 -11.76 C:10 15.42 -11.76 C:13 11.79 -11.06 C:14 10.58 -11.76 1 17 1 2 18 1 3 19 1 4 20 1 5 22 1 6 22 1 7 18 2 21 8 -2 9 11 1 9 19 2 10 12 1 10 20 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 16 21 1 17 22 1 21 22 1', '22 21 C 8.15 -11.76 C 26.34 -11.06 C 20.28 -13.16 C 15.42 -13.16 C 9.37 -11.06 C 10.58 -13.16 O 25.13 -13.16 O 11.79 -9.66 C 21.49 -11.06 C 16.63 -11.06 C 22.71 -11.76 C 17.86 -11.76 C 23.92 -11.06 C 19.07 -11.06 C 14.22 -11.06 C 13.01 -11.76 O 9.37 -12.46 C 25.13 -11.76 C 20.28 -11.76 C 15.42 -11.76 C 11.79 -11.06 C 10.58 -11.76 1 17 1 2 18 1 3 19 1 4 20 1 5 22 1 6 22 1 7 18 2 21 8 -2 9 11 1 9 19 2 10 12 1 10 20 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 16 21 1 17 22 1 21 22 1', '22 21 C:49 8.15 -11.76 C:30 26.34 -11.06 C:16 20.28 -13.16 C:16 15.42 -13.16 C:21 9.37 -11.06 C:19 10.58 -13.16 O 25.13 -13.16 O 11.79 -9.66 C:123 21.49 -11.06 C:125 16.63 -11.06 C:23 22.71 -11.76 C:27 17.86 -11.76 C:44 23.92 -11.06 C:40 19.07 -11.06 C:37 14.22 -11.06 C:30 13.01 -11.76 O 9.37 -12.46 C:209 25.13 -11.76 C:137 20.28 -11.76 C:135 15.42 -11.76 C:77 11.79 -11.06 C:78 10.58 -11.76 1 17 1 2 18 1 3 19 1 4 20 1 5 22 1 6 22 1 7 18 2 21 8 -2 9 11 1 9 19 2 10 12 1 10 20 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 16 21 1 17 22 1 21 22 1', 'C19H34O3', 310.202, 'C', 'np08_1441_27', 3938, '', '', '1', 47, NULL, NULL),
(15649, '', '(5E,9E)-13-Hydroxy-6,10,14-trimethylpentadeca-5,9,14-trien-2-one', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH2:16]=[C:14]([CH3:15])[C@H:13](O)[CH2:12][CH2:11][C:10]([CH3:17])=[CH:9][CH2:8][CH2:7][C:6]([CH3:18])=[CH:5][CH2:4][CH2:3][C:2]([CH3:1])=O', 'C=C(C)[C@H](O)CCC(C)=CCCC(C)=CCCC(C)=O', '[CH2:111]=[C:148]([CH3:18])[C@H:76](O)[CH2:33][CH2:36][C:137]([CH3:16])=[CH:125][CH2:27][CH2:40][C:136]([CH3:16])=[CH:123][CH2:23][CH2:44][C:208]([CH3:30])=O', '20 19 C:16 9.97 -13.16 C:15 8.76 -11.06 C:1 25.73 -11.06 C:18 19.67 -13.16 C:17 14.81 -13.16 O 24.52 -13.16 O 11.18 -9.66 C:5 20.88 -11.06 C:9 16.02 -11.06 C:4 22.10 -11.76 C:8 17.25 -11.76 C:3 23.31 -11.06 C:7 18.46 -11.06 C:11 13.61 -11.06 C:12 12.40 -11.76 C:14 9.97 -11.76 C:2 24.52 -11.76 C:6 19.67 -11.76 C:10 14.81 -11.76 C:13 11.18 -11.06 1 16 2 2 16 1 3 17 1 4 18 1 5 19 1 6 17 2 20 7 -2 8 10 1 8 18 2 9 11 1 9 19 2 10 12 1 11 13 1 12 17 1 13 18 1 14 15 1 14 19 1 15 20 1 16 20 1', '20 19 C 9.97 -13.16 C 8.76 -11.06 C 25.73 -11.06 C 19.67 -13.16 C 14.81 -13.16 O 24.52 -13.16 O 11.18 -9.66 C 20.88 -11.06 C 16.02 -11.06 C 22.10 -11.76 C 17.25 -11.76 C 23.31 -11.06 C 18.46 -11.06 C 13.61 -11.06 C 12.40 -11.76 C 9.97 -11.76 C 24.52 -11.76 C 19.67 -11.76 C 14.81 -11.76 C 11.18 -11.06 1 16 2 2 16 1 3 17 1 4 18 1 5 19 1 6 17 2 20 7 -2 8 10 1 8 18 2 9 11 1 9 19 2 10 12 1 11 13 1 12 17 1 13 18 1 14 15 1 14 19 1 15 20 1 16 20 1', '20 19 C:111 9.97 -13.16 C:18 8.76 -11.06 C:30 25.73 -11.06 C:16 19.67 -13.16 C:16 14.81 -13.16 O 24.52 -13.16 O 11.18 -9.66 C:123 20.88 -11.06 C:125 16.02 -11.06 C:23 22.10 -11.76 C:27 17.25 -11.76 C:44 23.31 -11.06 C:40 18.46 -11.06 C:36 13.61 -11.06 C:33 12.40 -11.76 C:148 9.97 -11.76 C:208 24.52 -11.76 C:136 19.67 -11.76 C:137 14.81 -11.76 C:76 11.18 -11.06 1 16 2 2 16 1 3 17 1 4 18 1 5 19 1 6 17 2 20 7 -2 8 10 1 8 18 2 9 11 1 9 19 2 10 12 1 11 13 1 12 17 1 13 18 1 14 15 1 14 19 1 15 20 1 16 20 1', 'C18H30O2', 278.191, 'C', 'np08_1441_22', 3938, '', '', '1', 47, NULL, NULL),
(15650, '', '(R,5E,9E)-13,14-Dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:1][C:2](=O)[CH2:3][CH2:4][CH:5]=[C:6]([CH3:18])[CH2:7][CH2:8][CH:9]=[C:10]([CH3:17])[CH2:11][CH2:12][C@@H:13](O)[C:14]([CH3:16])([CH3:15])O', 'CC(=O)CCC=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O', '[CH3:30][C:209](=O)[CH2:44][CH2:22][CH:123]=[C:136]([CH3:16])[CH2:40][CH2:26][CH:125]=[C:135]([CH3:16])[CH2:37][CH2:30][C@@H:78](O)[C:73]([CH3:23])([CH3:26])O', '21 20 C:1 25.73 -11.06 C:18 19.67 -13.16 C:17 14.81 -13.16 C:16 9.97 -13.16 C:15 8.76 -11.06 O 24.52 -13.16 O 11.18 -9.66 O 8.76 -12.46 C:5 20.88 -11.06 C:9 16.02 -11.06 C:4 22.10 -11.76 C:8 17.25 -11.76 C:3 23.31 -11.06 C:7 18.46 -11.06 C:11 13.61 -11.06 C:12 12.40 -11.76 C:2 24.52 -11.76 C:6 19.67 -11.76 C:10 14.81 -11.76 C:13 11.18 -11.06 C:14 9.97 -11.76 1 17 1 2 18 1 3 19 1 4 21 1 5 21 1 6 17 2 20 7 -2 8 21 1 9 11 1 9 18 2 10 12 1 10 19 2 11 13 1 12 14 1 13 17 1 14 18 1 15 16 1 15 19 1 16 20 1 20 21 1', '21 20 C 25.73 -11.06 C 19.67 -13.16 C 14.81 -13.16 C 9.97 -13.16 C 8.76 -11.06 O 24.52 -13.16 O 11.18 -9.66 O 8.76 -12.46 C 20.88 -11.06 C 16.02 -11.06 C 22.10 -11.76 C 17.25 -11.76 C 23.31 -11.06 C 18.46 -11.06 C 13.61 -11.06 C 12.40 -11.76 C 24.52 -11.76 C 19.67 -11.76 C 14.81 -11.76 C 11.18 -11.06 C 9.97 -11.76 1 17 1 2 18 1 3 19 1 4 21 1 5 21 1 6 17 2 20 7 -2 8 21 1 9 11 1 9 18 2 10 12 1 10 19 2 11 13 1 12 14 1 13 17 1 14 18 1 15 16 1 15 19 1 16 20 1 20 21 1', '21 20 C:30 25.73 -11.06 C:16 19.67 -13.16 C:16 14.81 -13.16 C:23 9.97 -13.16 C:26 8.76 -11.06 O 24.52 -13.16 O 11.18 -9.66 O 8.76 -12.46 C:123 20.88 -11.06 C:125 16.02 -11.06 C:22 22.10 -11.76 C:26 17.25 -11.76 C:44 23.31 -11.06 C:40 18.46 -11.06 C:37 13.61 -11.06 C:30 12.40 -11.76 C:209 24.52 -11.76 C:136 19.67 -11.76 C:135 14.81 -11.76 C:78 11.18 -11.06 C:73 9.97 -11.76 1 17 1 2 18 1 3 19 1 4 21 1 5 21 1 6 17 2 20 7 -2 8 21 1 9 11 1 9 18 2 10 12 1 10 19 2 11 13 1 12 14 1 13 17 1 14 18 1 15 16 1 15 19 1 16 20 1 20 21 1', 'C18H32O3', 296.191, 'C', 'np08_1441_23', 3938, '', '', '1', 47, NULL, NULL),
(15651, '', '(5E,9E,13Z)-15-Hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:1][C:2](=O)[CH2:3][CH2:4][CH:5]=[C:6]([CH3:18])[CH2:7][CH2:8][CH:9]=[C:10]([CH3:17])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:15])[CH2:16]O', 'CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CO', '[CH3:30][C:209](=O)[CH2:44][CH2:23][CH:123]=[C:137]([CH3:16])[CH2:40][CH2:27][CH:125]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:129]=[C:135]([CH3:22])[CH2:62]O', '20 19 C:1 25.74 -10.00 C:15 8.76 -10.00 C:18 19.67 -12.10 C:17 14.81 -12.10 O 24.53 -12.10 O 8.76 -12.80 C:13 11.18 -10.00 C:5 20.88 -10.00 C:9 16.02 -10.00 C:16 9.97 -12.10 C:4 22.10 -10.70 C:12 12.40 -10.70 C:8 17.25 -10.70 C:3 23.31 -10.00 C:11 13.61 -10.00 C:7 18.46 -10.00 C:2 24.53 -10.70 C:14 9.97 -10.70 C:6 19.67 -10.70 C:10 14.81 -10.70 1 17 1 2 18 1 3 19 1 4 20 1 5 17 2 6 10 1 7 12 1 7 18 2 8 11 1 8 19 2 9 13 1 9 20 2 10 18 1 11 14 1 12 15 1 13 16 1 14 17 1 15 20 1 16 19 1', '20 19 C 25.74 -10.00 C 8.76 -10.00 C 19.67 -12.10 C 14.81 -12.10 O 24.53 -12.10 O 8.76 -12.80 C 11.18 -10.00 C 20.88 -10.00 C 16.02 -10.00 C 9.97 -12.10 C 22.10 -10.70 C 12.40 -10.70 C 17.25 -10.70 C 23.31 -10.00 C 13.61 -10.00 C 18.46 -10.00 C 24.53 -10.70 C 9.97 -10.70 C 19.67 -10.70 C 14.81 -10.70 1 17 1 2 18 1 3 19 1 4 20 1 5 17 2 6 10 1 7 12 1 7 18 2 8 11 1 8 19 2 9 13 1 9 20 2 10 18 1 11 14 1 12 15 1 13 16 1 14 17 1 15 20 1 16 19 1', '20 19 C:30 25.74 -10.00 C:22 8.76 -10.00 C:16 19.67 -12.10 C:16 14.81 -12.10 O 24.53 -12.10 O 8.76 -12.80 C:129 11.18 -10.00 C:123 20.88 -10.00 C:125 16.02 -10.00 C:62 9.97 -12.10 C:23 22.10 -10.70 C:27 12.40 -10.70 C:27 17.25 -10.70 C:44 23.31 -10.00 C:40 13.61 -10.00 C:40 18.46 -10.00 C:209 24.53 -10.70 C:135 9.97 -10.70 C:137 19.67 -10.70 C:135 14.81 -10.70 1 17 1 2 18 1 3 19 1 4 20 1 5 17 2 6 10 1 7 12 1 7 18 2 8 11 1 8 19 2 9 13 1 9 20 2 10 18 1 11 14 1 12 15 1 13 16 1 14 17 1 15 20 1 16 19 1', 'C18H30O2', 278.191, 'C', 'np08_1441_24', 3938, '', '', '1', 47, NULL, NULL),
(15652, '', '(2E,6E)-2-(4-Methylpent-3-enyl)-6-(3-(2-oxo-2,5-dihydrofuran-3-yl)propyli-dene)hept-2-enedioic acid', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:18001]O[C:18](=O)[C:11](=[CH:10][CH2:9][CH2:8][C:7](=[CH:6][CH2:5][CH2:4][C:3]1=[CH:2][CH2:1]O[C:20]1=O)[C:19](=O)O[CH3:19001])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17]', 'COC(=O)C(=CCCC(=CCCC1=CCOC1=O)C(=O)OC)CCC=C(C)C', '[CH3:52]O[C:168](=O)[C:133](=[CH:141][CH2:27][CH2:27][C:132](=[CH:141][CH2:29][CH2:26][C:133]1=[CH:145][CH2:70]O[C:174]1=O)[C:168](=O)O[CH3:52])[CH2:28][CH2:28][CH:124]=[C:132]([CH3:25])[CH3:18]', '28 28 C:18001 16.74 -7.21 C:19001 20.38 -9.31 C:16 9.48 -11.41 C:17 10.69 -9.31 O 14.32 -8.61 O 17.96 -10.71 O 21.93 -12.56 C:14 11.90 -11.41 C:10 16.74 -11.41 C:6 20.38 -13.51 C:2 24.09 -15.48 C:13 13.09 -10.71 C:9 16.74 -12.81 C:5 20.38 -14.91 C:1 25.03 -14.44 C:12 14.32 -11.41 C:8 17.96 -13.51 C:4 21.59 -15.61 O 16.74 -8.61 O 20.38 -10.71 O 24.33 -13.23 C:15 10.69 -10.71 C:18 15.53 -9.31 C:19 19.17 -11.41 C:20 22.96 -13.51 C:11 15.53 -10.71 C:7 19.17 -12.81 C:3 22.81 -14.91 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 25 2 8 12 1 8 22 2 9 13 1 9 26 2 10 14 1 10 27 2 11 15 1 11 28 2 12 16 1 13 17 1 14 18 1 15 21 1 16 26 1 17 27 1 18 28 1 19 23 1 20 24 1 21 25 1 23 26 1 24 27 1 25 28 1', '28 28 C 16.74 -7.21 C 20.38 -9.31 C 9.48 -11.41 C 10.69 -9.31 O 14.32 -8.61 O 17.96 -10.71 O 21.93 -12.56 C 11.90 -11.41 C 16.74 -11.41 C 20.38 -13.51 C 24.09 -15.48 C 13.09 -10.71 C 16.74 -12.81 C 20.38 -14.91 C 25.03 -14.44 C 14.32 -11.41 C 17.96 -13.51 C 21.59 -15.61 O 16.74 -8.61 O 20.38 -10.71 O 24.33 -13.23 C 10.69 -10.71 C 15.53 -9.31 C 19.17 -11.41 C 22.96 -13.51 C 15.53 -10.71 C 19.17 -12.81 C 22.81 -14.91 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 25 2 8 12 1 8 22 2 9 13 1 9 26 2 10 14 1 10 27 2 11 15 1 11 28 2 12 16 1 13 17 1 14 18 1 15 21 1 16 26 1 17 27 1 18 28 1 19 23 1 20 24 1 21 25 1 23 26 1 24 27 1 25 28 1', '28 28 C:52 16.74 -7.21 C:52 20.38 -9.31 C:25 9.48 -11.41 C:18 10.69 -9.31 O 14.32 -8.61 O 17.96 -10.71 O 21.93 -12.56 C:124 11.90 -11.41 C:141 16.74 -11.41 C:141 20.38 -13.51 C:145 24.09 -15.48 C:28 13.09 -10.71 C:27 16.74 -12.81 C:29 20.38 -14.91 C:70 25.03 -14.44 C:28 14.32 -11.41 C:27 17.96 -13.51 C:26 21.59 -15.61 O 16.74 -8.61 O 20.38 -10.71 O 24.33 -13.23 C:132 10.69 -10.71 C:168 15.53 -9.31 C:168 19.17 -11.41 C:174 22.96 -13.51 C:133 15.53 -10.71 C:132 19.17 -12.81 C:133 22.81 -14.91 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 25 2 8 12 1 8 22 2 9 13 1 9 26 2 10 14 1 10 27 2 11 15 1 11 28 2 12 16 1 13 17 1 14 18 1 15 21 1 16 26 1 17 27 1 18 28 1 19 23 1 20 24 1 21 25 1 23 26 1 24 27 1 25 28 1', 'C22H30O6', 390.232, 'C', 'np08_190_3', 3939, '', '', '1', 47, NULL, NULL),
(15653, '', '(2Z,6E)-Dimethyl-6-(3-(furan-3-yl)propylidene)-2-(4-methylpent-3-enyl)hept-2-enedioate', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:18001]O[C:18](=O)[C:11](=[CH:10][CH2:9][CH2:8][C:7](=[CH:6][CH2:5][CH2:4][c:3]1[cH:2][cH:1]o[cH:20]1)[C:19](=O)O[CH3:19001])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17]', 'COC(=O)C(=CCCC(=CCCc1ccoc1)C(=O)OC)CCC=C(C)C', '[CH3:52]O[C:168](=O)[C:132](=[CH:140][CH2:26][CH2:29][C:132](=[CH:142][CH2:24][CH2:29][c:124]1[cH:111][cH:143]o[cH:139]1)[C:168](=O)O[CH3:51])[CH2:35][CH2:27][CH:123]=[C:132]([CH3:26])[CH3:18]', '27 27 C:18001 16.15 -8.27 C:19001 21.00 -8.27 C:16 8.87 -12.47 C:17 10.10 -10.38 O 13.73 -9.67 O 18.58 -9.68 C:14 11.31 -12.47 C:10 16.15 -12.47 C:6 21.00 -12.47 C:1 25.64 -13.39 C:2 24.70 -14.43 C:20 23.57 -12.47 C:13 12.52 -11.77 C:9 17.35 -11.77 C:5 21.00 -13.88 C:12 13.73 -12.47 C:8 18.58 -12.47 C:4 22.20 -14.56 O 16.15 -9.68 O 21.00 -9.68 O 24.94 -12.17 C:15 10.10 -11.77 C:18 14.95 -10.38 C:19 19.79 -10.38 C:11 14.95 -11.77 C:7 19.79 -11.77 C:3 23.42 -13.88 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 13 1 7 22 2 8 14 1 8 25 2 9 15 1 9 26 2 10 11 2 10 21 1 11 27 1 12 21 1 12 27 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 27 1 19 23 1 20 24 1 23 25 1 24 26 1', '27 27 C 16.15 -8.27 C 21.00 -8.27 C 8.87 -12.47 C 10.10 -10.38 O 13.73 -9.67 O 18.58 -9.68 C 11.31 -12.47 C 16.15 -12.47 C 21.00 -12.47 C 25.64 -13.39 C 24.70 -14.43 C 23.57 -12.47 C 12.52 -11.77 C 17.35 -11.77 C 21.00 -13.88 C 13.73 -12.47 C 18.58 -12.47 C 22.20 -14.56 O 16.15 -9.68 O 21.00 -9.68 O 24.94 -12.17 C 10.10 -11.77 C 14.95 -10.38 C 19.79 -10.38 C 14.95 -11.77 C 19.79 -11.77 C 23.42 -13.88 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 13 1 7 22 2 8 14 1 8 25 2 9 15 1 9 26 2 10 11 2 10 21 1 11 27 1 12 21 1 12 27 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 27 1 19 23 1 20 24 1 23 25 1 24 26 1', '27 27 C:52 16.15 -8.27 C:51 21.00 -8.27 C:26 8.87 -12.47 C:18 10.10 -10.38 O 13.73 -9.67 O 18.58 -9.68 C:123 11.31 -12.47 C:140 16.15 -12.47 C:142 21.00 -12.47 C:143 25.64 -13.39 C:111 24.70 -14.43 C:139 23.57 -12.47 C:27 12.52 -11.77 C:26 17.35 -11.77 C:24 21.00 -13.88 C:35 13.73 -12.47 C:29 18.58 -12.47 C:29 22.20 -14.56 O 16.15 -9.68 O 21.00 -9.68 O 24.94 -12.17 C:132 10.10 -11.77 C:168 14.95 -10.38 C:168 19.79 -10.38 C:132 14.95 -11.77 C:132 19.79 -11.77 C:124 23.42 -13.88 1 19 1 2 20 1 3 22 1 4 22 1 5 23 2 6 24 2 7 13 1 7 22 2 8 14 1 8 25 2 9 15 1 9 26 2 10 11 2 10 21 1 11 27 1 12 21 1 12 27 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 27 1 19 23 1 20 24 1 23 25 1 24 26 1', 'C22H30O5', 374.232, 'C+C', 'np08_190_5', 3939, '', '', '1', 47, NULL, NULL),
(15654, '', '(2E,6E)-Dimethyl 2-((S)-3,4-dihydroxy-4-methylpentyl)-6-(3-(furan-3-yl)propylidene)hept-2-enedioate', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19001]O[C:19](=O)[C:7](=[CH:6][CH2:5][CH2:4][c:3]1[cH:2][cH:1]o[cH:20]1)[CH2:8][CH2:9][CH:10]=[C:11]([CH2:12][CH2:13][C@H:14](O)[C:15]([CH3:17])([CH3:16])O)[C:18](=O)O[CH3:18001]', 'COC(=O)C(=CCCc1ccoc1)CCC=C(CC[C@H](O)C(C)(C)O)C(=O)OC', '[CH3:51]O[C:168](=O)[C:131](=[CH:142][CH2:29][CH2:24][c:124]1[cH:111][cH:143]o[cH:139]1)[CH2:26][CH2:28][CH:143]=[C:132]([CH2:23][CH2:31][C@H:60](O)[C:73]([CH3:23])([CH3:26])O)[C:168](=O)O[CH3:52]', '29 29 C:19001 20.38 -9.31 C:18001 16.74 -7.21 C:17 10.69 -9.31 C:16 9.48 -11.41 O 17.96 -10.71 O 14.32 -8.61 O 11.92 -12.81 O 9.48 -10.01 C:10 16.74 -11.41 C:6 20.38 -13.51 C:1 25.04 -14.44 C:2 24.10 -15.48 C:20 22.97 -13.51 C:9 16.74 -12.81 C:5 20.38 -14.91 C:8 17.96 -13.51 C:12 14.32 -11.41 C:4 21.59 -15.61 C:13 13.09 -10.71 O 20.38 -10.71 O 16.74 -8.61 O 24.34 -13.23 C:19 19.17 -11.41 C:18 15.53 -9.31 C:7 19.17 -12.81 C:11 15.53 -10.71 C:3 22.82 -14.91 C:14 11.92 -11.41 C:15 10.69 -10.71 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', '29 29 C 20.38 -9.31 C 16.74 -7.21 C 10.69 -9.31 C 9.48 -11.41 O 17.96 -10.71 O 14.32 -8.61 O 11.92 -12.81 O 9.48 -10.01 C 16.74 -11.41 C 20.38 -13.51 C 25.04 -14.44 C 24.10 -15.48 C 22.97 -13.51 C 16.74 -12.81 C 20.38 -14.91 C 17.96 -13.51 C 14.32 -11.41 C 21.59 -15.61 C 13.09 -10.71 O 20.38 -10.71 O 16.74 -8.61 O 24.34 -13.23 C 19.17 -11.41 C 15.53 -9.31 C 19.17 -12.81 C 15.53 -10.71 C 22.82 -14.91 C 11.92 -11.41 C 10.69 -10.71 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', '29 29 C:51 20.38 -9.31 C:52 16.74 -7.21 C:23 10.69 -9.31 C:26 9.48 -11.41 O 17.96 -10.71 O 14.32 -8.61 O 11.92 -12.81 O 9.48 -10.01 C:143 16.74 -11.41 C:142 20.38 -13.51 C:143 25.04 -14.44 C:111 24.10 -15.48 C:139 22.97 -13.51 C:28 16.74 -12.81 C:29 20.38 -14.91 C:26 17.96 -13.51 C:23 14.32 -11.41 C:24 21.59 -15.61 C:31 13.09 -10.71 O 20.38 -10.71 O 16.74 -8.61 O 24.34 -13.23 C:168 19.17 -11.41 C:168 15.53 -9.31 C:131 19.17 -12.81 C:132 15.53 -10.71 C:124 22.82 -14.91 C:60 11.92 -11.41 C:73 10.69 -10.71 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', 'C22H32O7', 408.231, 'C', 'np08_190_6', 3939, '', '', '1', 47, NULL, NULL),
(15655, '', '(2Z,6E)-Dimethyl 2-((S)-3,4-dihydroxy-4-methylpentyl)-6-(3-(furan-3-yl)propylidene)hept-2-enedioate', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19001]O[C:19](=O)[C:7](=[CH:6][CH2:5][CH2:4][c:3]1[cH:2][cH:1]o[cH:20]1)[CH2:8][CH2:9][CH:10]=[C:11]([CH2:12][CH2:13][C@H:14](O)[C:15]([CH3:16])([CH3:17])O)[C:18](=O)O[CH3:18001]', 'COC(=O)C(=CCCc1ccoc1)CCC=C(CC[C@H](O)C(C)(C)O)C(=O)OC', '[CH3:52]O[C:168](=O)[C:132](=[CH:142][CH2:29][CH2:24][c:124]1[cH:111][cH:143]o[cH:139]1)[CH2:29][CH2:28][CH:141]=[C:132]([CH2:31][CH2:29][C@H:66](O)[C:73]([CH3:26])([CH3:23])O)[C:168](=O)O[CH3:52]', '29 29 C:19001 20.99 -8.27 C:18001 16.14 -8.27 C:16 8.87 -12.46 C:17 10.09 -10.37 O 18.57 -9.67 O 13.72 -9.66 O 11.30 -13.87 O 8.87 -11.06 C:10 16.14 -12.46 C:6 20.99 -12.46 C:1 25.64 -13.38 C:2 24.70 -14.42 C:20 23.57 -12.46 C:9 17.34 -11.76 C:5 20.99 -13.87 C:8 18.57 -12.46 C:12 13.72 -12.46 C:4 22.19 -14.55 C:13 12.51 -11.76 O 20.99 -9.67 O 16.14 -9.67 O 24.94 -12.16 C:19 19.78 -10.37 C:18 14.94 -10.37 C:7 19.78 -11.76 C:11 14.94 -11.76 C:3 23.42 -13.87 C:14 11.30 -12.46 C:15 10.09 -11.76 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', '29 29 C 20.99 -8.27 C 16.14 -8.27 C 8.87 -12.46 C 10.09 -10.37 O 18.57 -9.67 O 13.72 -9.66 O 11.30 -13.87 O 8.87 -11.06 C 16.14 -12.46 C 20.99 -12.46 C 25.64 -13.38 C 24.70 -14.42 C 23.57 -12.46 C 17.34 -11.76 C 20.99 -13.87 C 18.57 -12.46 C 13.72 -12.46 C 22.19 -14.55 C 12.51 -11.76 O 20.99 -9.67 O 16.14 -9.67 O 24.94 -12.16 C 19.78 -10.37 C 14.94 -10.37 C 19.78 -11.76 C 14.94 -11.76 C 23.42 -13.87 C 11.30 -12.46 C 10.09 -11.76 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', '29 29 C:52 20.99 -8.27 C:52 16.14 -8.27 C:26 8.87 -12.46 C:23 10.09 -10.37 O 18.57 -9.67 O 13.72 -9.66 O 11.30 -13.87 O 8.87 -11.06 C:141 16.14 -12.46 C:142 20.99 -12.46 C:143 25.64 -13.38 C:111 24.70 -14.42 C:139 23.57 -12.46 C:28 17.34 -11.76 C:29 20.99 -13.87 C:29 18.57 -12.46 C:31 13.72 -12.46 C:24 22.19 -14.55 C:29 12.51 -11.76 O 20.99 -9.67 O 16.14 -9.67 O 24.94 -12.16 C:168 19.78 -10.37 C:168 14.94 -10.37 C:132 19.78 -11.76 C:132 14.94 -11.76 C:124 23.42 -13.87 C:66 11.30 -12.46 C:73 10.09 -11.76 1 20 1 2 21 1 3 29 1 4 29 1 5 23 2 6 24 2 28 7 -2 8 29 1 9 14 1 9 26 2 10 15 1 10 25 2 11 12 2 11 22 1 12 27 1 13 22 1 13 27 2 14 16 1 15 18 1 16 25 1 17 19 1 17 26 1 18 27 1 19 28 1 20 23 1 21 24 1 23 25 1 24 26 1 28 29 1', 'C22H32O7', 408.231, 'C+C', 'np08_190_8', 3939, '', '', '1', 47, NULL, NULL),
(15656, '', '(2E,6E)-6-(3-(Furan-3-yl)propylidene)-2-(4-methylpent-3-enyl)hept-2-ene-1,7-diol', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:16][C:15]([CH3:17])=[CH:14][CH2:13][CH2:12][C:11](=[CH:10][CH2:9][CH2:8][C:7](=[CH:6][CH2:5][CH2:4][c:3]1[cH:2][cH:1]o[cH:20]1)[CH2:19]O)[CH2:18]O', 'CC(C)=CCCC(=CCCC(=CCCc1ccoc1)CO)CO', '[CH3:25][C:132]([CH3:18])=[CH:124][CH2:27][CH2:26][C:139](=[CH:127][CH2:28][CH2:26][C:139](=[CH:125][CH2:28][CH2:23][c:125]1[cH:111][cH:143]o[cH:139]1)[CH2:67]O)[CH2:67]O', '23 23 C:16 9.48 -10.74 C:17 10.69 -8.64 O 16.74 -7.94 O 20.38 -10.04 C:14 11.90 -10.74 C:10 16.74 -10.74 C:6 20.38 -12.84 C:1 25.03 -13.77 C:2 24.09 -14.81 C:20 22.96 -12.84 C:18 15.53 -8.64 C:19 19.17 -10.74 C:13 13.09 -10.04 C:9 16.74 -12.14 C:5 20.38 -14.24 C:12 14.32 -10.74 C:8 17.96 -12.84 C:4 21.59 -14.94 O 24.33 -12.56 C:15 10.69 -10.04 C:11 15.53 -10.04 C:7 19.17 -12.14 C:3 22.81 -14.24 1 20 1 2 20 1 3 11 1 4 12 1 5 13 1 5 20 2 6 14 1 6 21 2 7 15 1 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 21 1 12 22 1 13 16 1 14 17 1 15 18 1 16 21 1 17 22 1 18 23 1', '23 23 C 9.48 -10.74 C 10.69 -8.64 O 16.74 -7.94 O 20.38 -10.04 C 11.90 -10.74 C 16.74 -10.74 C 20.38 -12.84 C 25.03 -13.77 C 24.09 -14.81 C 22.96 -12.84 C 15.53 -8.64 C 19.17 -10.74 C 13.09 -10.04 C 16.74 -12.14 C 20.38 -14.24 C 14.32 -10.74 C 17.96 -12.84 C 21.59 -14.94 O 24.33 -12.56 C 10.69 -10.04 C 15.53 -10.04 C 19.17 -12.14 C 22.81 -14.24 1 20 1 2 20 1 3 11 1 4 12 1 5 13 1 5 20 2 6 14 1 6 21 2 7 15 1 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 21 1 12 22 1 13 16 1 14 17 1 15 18 1 16 21 1 17 22 1 18 23 1', '23 23 C:25 9.48 -10.74 C:18 10.69 -8.64 O 16.74 -7.94 O 20.38 -10.04 C:124 11.90 -10.74 C:127 16.74 -10.74 C:125 20.38 -12.84 C:143 25.03 -13.77 C:111 24.09 -14.81 C:139 22.96 -12.84 C:67 15.53 -8.64 C:67 19.17 -10.74 C:27 13.09 -10.04 C:28 16.74 -12.14 C:28 20.38 -14.24 C:26 14.32 -10.74 C:26 17.96 -12.84 C:23 21.59 -14.94 O 24.33 -12.56 C:132 10.69 -10.04 C:139 15.53 -10.04 C:139 19.17 -12.14 C:125 22.81 -14.24 1 20 1 2 20 1 3 11 1 4 12 1 5 13 1 5 20 2 6 14 1 6 21 2 7 15 1 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 21 1 12 22 1 13 16 1 14 17 1 15 18 1 16 21 1 17 22 1 18 23 1', 'C20H30O3', 318.212, 'C', 'np08_190_10', 3939, '', '', '1', 47, NULL, NULL),
(15657, '', '(S)-2-((R,E)-5-(3-(Furan-3-yl)propylidene)tetrahydro-2H-pyran-2-yl)-6-methylhept-5-ene-1,2-diol', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[H][C@:10]2([C@@:11](O)([CH2:18]O)[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:9][CH2:8][C:7](=[CH:6][CH2:5][CH2:4][c:3]1[cH:2][cH:1]o[cH:20]1)[CH2:19]O2', '[H][C@]2([C@@](O)(CO)CCC=C(C)C)CCC(=CCCc1ccoc1)CO2', '[H][C@:84]2([C@@:74](O)([CH2:75]O)[CH2:25][CH2:22][CH:124]=[C:132]([CH3:26])[CH3:18])[CH2:34][CH2:26][C:140](=[CH:124][CH2:27][CH2:25][c:124]1[cH:111][cH:143]o[cH:139]1)[CH2:66]O2', '25 26 H 16.72 -9.85 C:16 9.38 -10.87 C:17 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C:14 11.83 -10.87 C:6 20.41 -12.99 C:1 25.12 -13.93 C:2 24.17 -14.98 C:20 23.03 -12.99 C:5 20.41 -14.41 C:13 13.03 -10.16 C:18 16.20 -8.95 C:8 17.96 -12.99 C:4 21.63 -15.12 C:19 19.18 -10.87 C:12 14.28 -10.87 C:9 16.72 -12.28 O 17.96 -10.16 O 24.41 -12.71 C:15 10.60 -10.16 C:7 19.18 -12.28 C:3 22.88 -14.41 C:10 16.72 -10.87 C:11 15.50 -10.16 24 1 -1 2 21 1 3 21 1 4 13 1 25 5 -1 6 12 1 6 21 2 7 11 1 7 22 2 8 9 2 8 20 1 9 23 1 10 20 1 10 23 2 11 15 1 12 17 1 25 13 -2 14 18 1 14 22 1 15 23 1 16 19 1 16 22 1 17 25 1 18 24 1 19 24 1 24 25 1', '25 26 H 16.72 -9.85 C 9.38 -10.87 C 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C 11.83 -10.87 C 20.41 -12.99 C 25.12 -13.93 C 24.17 -14.98 C 23.03 -12.99 C 20.41 -14.41 C 13.03 -10.16 C 16.20 -8.95 C 17.96 -12.99 C 21.63 -15.12 C 19.18 -10.87 C 14.28 -10.87 C 16.72 -12.28 O 17.96 -10.16 O 24.41 -12.71 C 10.60 -10.16 C 19.18 -12.28 C 22.88 -14.41 C 16.72 -10.87 C 15.50 -10.16 24 1 -1 2 21 1 3 21 1 4 13 1 25 5 -1 6 12 1 6 21 2 7 11 1 7 22 2 8 9 2 8 20 1 9 23 1 10 20 1 10 23 2 11 15 1 12 17 1 25 13 -2 14 18 1 14 22 1 15 23 1 16 19 1 16 22 1 17 25 1 18 24 1 19 24 1 24 25 1', '25 26 H 16.72 -9.85 C:26 9.38 -10.87 C:18 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C:124 11.83 -10.87 C:124 20.41 -12.99 C:143 25.12 -13.93 C:111 24.17 -14.98 C:139 23.03 -12.99 C:27 20.41 -14.41 C:22 13.03 -10.16 C:75 16.20 -8.95 C:26 17.96 -12.99 C:25 21.63 -15.12 C:66 19.18 -10.87 C:25 14.28 -10.87 C:34 16.72 -12.28 O 17.96 -10.16 O 24.41 -12.71 C:132 10.60 -10.16 C:140 19.18 -12.28 C:124 22.88 -14.41 C:84 16.72 -10.87 C:74 15.50 -10.16 24 1 -1 2 21 1 3 21 1 4 13 1 25 5 -1 6 12 1 6 21 2 7 11 1 7 22 2 8 9 2 8 20 1 9 23 1 10 20 1 10 23 2 11 15 1 12 17 1 25 13 -2 14 18 1 14 22 1 15 23 1 16 19 1 16 22 1 17 25 1 18 24 1 19 24 1 24 25 1', 'C20H30O4', 334.22, 'C', 'np08_190_11', 3939, '', '', '1', 47, NULL, NULL),
(15658, '', '((2S,3S)-3-(2-(Furan-3-yl)ethyl)-2-(2-((2S,3S)-3-(hydroxymethyl)-3-(4-methylpent-3-enyl)oxiran-2-yl)ethyl)oxiran-2-yl)methanol', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:17][C:15]([CH3:16])=[CH:14][CH2:13][CH2:12][C@:11]1([CH2:18]O)O[C@@H:10]1[CH2:9][CH2:8][C@:7]2([CH2:19]O)O[C@@H:6]2[CH2:5][CH2:4][c:3]3[cH:2][cH:1]o[cH:20]3', 'CC(C)=CCC[C@]1(CO)O[C@@H]1CC[C@]2(CO)O[C@@H]2CCc3ccoc3', '[CH3:17][C:132]([CH3:26])=[CH:123][CH2:31][CH2:28][C@:63]1([CH2:62]O)O[C@@H:61]1[CH2:24][CH2:20][C@:60]2([CH2:66]O)O[C@@H:65]2[CH2:24][CH2:22][c:124]3[cH:111][cH:143]o[cH:139]3', '25 27 C:17 9.47 -10.36 C:16 8.26 -12.46 O 15.51 -9.66 O 20.37 -9.66 C:14 10.68 -12.46 C:1 26.25 -11.52 C:2 25.21 -12.46 C:20 24.29 -10.36 C:13 11.87 -11.76 C:18 14.30 -10.36 C:19 19.16 -10.36 C:4 22.79 -12.46 C:5 21.57 -11.76 C:9 16.72 -11.76 C:12 13.09 -12.46 C:8 17.95 -12.46 O 19.16 -13.16 O 14.30 -13.16 O 25.68 -10.24 C:15 9.47 -11.76 C:3 24.00 -11.76 C:6 20.37 -12.46 C:10 15.51 -12.46 C:11 14.30 -11.76 C:7 19.16 -11.76 1 20 1 2 20 1 3 10 1 4 11 1 5 9 1 5 20 2 6 7 2 6 19 1 7 21 1 8 19 1 8 21 2 9 15 1 24 10 -2 25 11 -2 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 24 1 16 25 1 22 17 -1 17 25 1 23 18 -1 18 24 1 22 25 1 23 24 1', '25 27 C 9.47 -10.36 C 8.26 -12.46 O 15.51 -9.66 O 20.37 -9.66 C 10.68 -12.46 C 26.25 -11.52 C 25.21 -12.46 C 24.29 -10.36 C 11.87 -11.76 C 14.30 -10.36 C 19.16 -10.36 C 22.79 -12.46 C 21.57 -11.76 C 16.72 -11.76 C 13.09 -12.46 C 17.95 -12.46 O 19.16 -13.16 O 14.30 -13.16 O 25.68 -10.24 C 9.47 -11.76 C 24.00 -11.76 C 20.37 -12.46 C 15.51 -12.46 C 14.30 -11.76 C 19.16 -11.76 1 20 1 2 20 1 3 10 1 4 11 1 5 9 1 5 20 2 6 7 2 6 19 1 7 21 1 8 19 1 8 21 2 9 15 1 24 10 -2 25 11 -2 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 24 1 16 25 1 22 17 -1 17 25 1 23 18 -1 18 24 1 22 25 1 23 24 1', '25 27 C:17 9.47 -10.36 C:26 8.26 -12.46 O 15.51 -9.66 O 20.37 -9.66 C:123 10.68 -12.46 C:143 26.25 -11.52 C:111 25.21 -12.46 C:139 24.29 -10.36 C:31 11.87 -11.76 C:62 14.30 -10.36 C:66 19.16 -10.36 C:22 22.79 -12.46 C:24 21.57 -11.76 C:24 16.72 -11.76 C:28 13.09 -12.46 C:20 17.95 -12.46 O 19.16 -13.16 O 14.30 -13.16 O 25.68 -10.24 C:132 9.47 -11.76 C:124 24.00 -11.76 C:65 20.37 -12.46 C:61 15.51 -12.46 C:63 14.30 -11.76 C:60 19.16 -11.76 1 20 1 2 20 1 3 10 1 4 11 1 5 9 1 5 20 2 6 7 2 6 19 1 7 21 1 8 19 1 8 21 2 9 15 1 24 10 -2 25 11 -2 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 24 1 16 25 1 22 17 -1 17 25 1 23 18 -1 18 24 1 22 25 1 23 24 1', 'C20H30O5', 350.211, 'C', 'np08_190_13', 3939, '', '', '1', 47, NULL, NULL),
(15659, '', '(S)-2-((2S,3S,6R)-2-(2-(Furan-3-yl)ethyl)-1,5-dioxaspiro[2.5]octan-6-yl)-6-methylhept-5-ene-1,2-diol', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[H][C@:10]1([C@@:11](O)([CH2:18]O)[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:9][CH2:8][C@@:7]2([CH2:19]O1)O[C@H:6]2[CH2:5][CH2:4][c:3]3[cH:2][cH:1]o[cH:20]3', '[H][C@]1([C@@](O)(CO)CCC=C(C)C)CC[C@@]2(CO1)O[C@H]2CCc3ccoc3', '[H][C@:83]1([C@@:74](O)([CH2:74]O)[CH2:25][CH2:22][CH:124]=[C:132]([CH3:26])[CH3:18])[CH2:34][CH2:26][C@@:69]2([CH2:66]O1)O[C@H:65]2[CH2:22][CH2:22][c:124]3[cH:111][cH:143]o[cH:139]3', '26 28 H 16.72 -9.85 C:16 9.38 -10.87 C:17 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C:14 11.83 -10.87 C:1 25.12 -13.93 C:2 24.17 -14.98 C:20 23.03 -12.99 C:13 13.03 -10.16 C:18 16.20 -8.95 C:4 21.63 -15.12 C:5 20.41 -14.41 C:12 14.28 -10.87 C:9 16.72 -12.28 C:8 17.96 -12.99 C:19 19.18 -10.87 O 17.96 -10.16 O 20.41 -11.59 O 24.41 -12.71 C:15 10.60 -10.16 C:3 22.88 -14.41 C:6 20.41 -12.99 C:10 16.72 -10.87 C:11 15.50 -10.16 C:7 19.18 -12.28 24 1 -1 2 21 1 3 21 1 4 11 1 25 5 -1 6 10 1 6 21 2 7 8 2 7 20 1 8 22 1 9 20 1 9 22 2 10 14 1 25 11 -2 12 13 1 12 22 1 13 23 1 14 25 1 15 16 1 15 24 1 16 26 1 17 18 1 17 26 1 18 24 1 23 19 -1 26 19 -1 23 26 1 24 25 1', '26 28 H 16.72 -9.85 C 9.38 -10.87 C 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C 11.83 -10.87 C 25.12 -13.93 C 24.17 -14.98 C 23.03 -12.99 C 13.03 -10.16 C 16.20 -8.95 C 21.63 -15.12 C 20.41 -14.41 C 14.28 -10.87 C 16.72 -12.28 C 17.96 -12.99 C 19.18 -10.87 O 17.96 -10.16 O 20.41 -11.59 O 24.41 -12.71 C 10.60 -10.16 C 22.88 -14.41 C 20.41 -12.99 C 16.72 -10.87 C 15.50 -10.16 C 19.18 -12.28 24 1 -1 2 21 1 3 21 1 4 11 1 25 5 -1 6 10 1 6 21 2 7 8 2 7 20 1 8 22 1 9 20 1 9 22 2 10 14 1 25 11 -2 12 13 1 12 22 1 13 23 1 14 25 1 15 16 1 15 24 1 16 26 1 17 18 1 17 26 1 18 24 1 23 19 -1 26 19 -1 23 26 1 24 25 1', '26 28 H 16.72 -9.85 C:26 9.38 -10.87 C:18 10.60 -8.74 O 15.50 -7.73 O 14.80 -8.95 C:124 11.83 -10.87 C:143 25.12 -13.93 C:111 24.17 -14.98 C:139 23.03 -12.99 C:22 13.03 -10.16 C:74 16.20 -8.95 C:22 21.63 -15.12 C:22 20.41 -14.41 C:25 14.28 -10.87 C:34 16.72 -12.28 C:26 17.96 -12.99 C:66 19.18 -10.87 O 17.96 -10.16 O 20.41 -11.59 O 24.41 -12.71 C:132 10.60 -10.16 C:124 22.88 -14.41 C:65 20.41 -12.99 C:83 16.72 -10.87 C:74 15.50 -10.16 C:69 19.18 -12.28 24 1 -1 2 21 1 3 21 1 4 11 1 25 5 -1 6 10 1 6 21 2 7 8 2 7 20 1 8 22 1 9 20 1 9 22 2 10 14 1 25 11 -2 12 13 1 12 22 1 13 23 1 14 25 1 15 16 1 15 24 1 16 26 1 17 18 1 17 26 1 18 24 1 23 19 -1 26 19 -1 23 26 1 24 25 1', 'C20H30O5', 350.219, 'C', 'np08_190_14', 3939, '', '', '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
(15678, 'Tetrahydroxysqualene', '', 'Terpenoids', 'Triterpenoids', 'Squalenes', '[CH2:24]=[C:23]([CH3:30])[CH:22]([CH3:22001])[CH2:21][CH2:20][C:19](=[CH2:29])[CH:18]([CH3:18001])[CH2:17][CH2:16][C:15]([CH3:28])=[CH:14][CH2:13][CH2:12][C@H:11]1O[CH2:101]O[C@:10]1([CH3:27])[CH2:9][CH2:8][CH:7]([CH3:7001])[C:6](=[CH2:26])[CH2:5][CH2:4][CH:3]([CH3:3001])[C:2](=[CH2:1])[CH3:25]', 'C=C(C)C(C)CCC(=C)C(C)CCC(C)=CCC[C@H]1OCO[C@]1(C)CCC(C)C(=C)CCC(C)C(=C)C', '[CH2:110]=[C:150]([CH3:19])[CH:41]([CH3:20])[CH2:33][CH2:32][C:155](=[CH2:107])[CH:40]([CH3:20])[CH2:34][CH2:38][C:136]([CH3:16])=[CH:124][CH2:26][CH2:29][C@H:85]1O[CH2:106]O[C@:82]1([CH3:22])[CH2:34][CH2:29][CH:41]([CH3:21])[C:155](=[CH2:108])[CH2:32][CH2:34][CH:41]([CH3:20])[C:150](=[CH2:110])[CH3:19]', '37 37 C:24 31.18 -10.76 C:1 3.28 -11.46 C:29 25.10 -12.86 C:26 9.33 -9.36 C:30 29.96 -12.86 C:25 4.49 -9.36 C:28 20.26 -12.86 C:22001 28.75 -9.36 C:3001 5.70 -12.86 C:18001 23.89 -9.36 C:7001 10.53 -12.86 C:27 14.19 -9.36 C:14 19.04 -10.76 C:13 17.83 -11.46 C:16 21.48 -10.76 C:20 26.33 -10.76 C:5 8.12 -11.46 C:12 16.62 -10.76 C:17 22.69 -11.46 C:21 27.54 -11.46 C:4 6.91 -10.76 C:8 11.76 -10.76 C:101 13.61 -13.45 C:9 12.97 -11.46 O 14.78 -12.71 O 13.61 -12.04 C:23 29.96 -11.46 C:2 4.49 -10.76 C:15 20.26 -11.46 C:19 25.10 -11.46 C:6 9.33 -10.76 C:22 28.75 -10.76 C:3 5.70 -11.46 C:18 23.89 -10.76 C:7 10.53 -11.46 C:11 15.40 -11.46 C:10 14.19 -10.76 1 27 2 2 28 2 3 30 2 4 31 2 5 27 1 6 28 1 7 29 1 8 32 1 9 33 1 10 34 1 11 35 1 37 12 -1 13 14 1 13 29 2 14 18 1 15 19 1 15 29 1 16 20 1 16 30 1 17 21 1 17 31 1 18 36 1 19 34 1 20 32 1 21 33 1 22 24 1 22 35 1 23 25 1 23 26 1 24 37 1 36 25 -1 26 37 1 27 32 1 28 33 1 30 34 1 31 35 1 36 37 1', '37 37 C 31.18 -10.76 C 3.28 -11.46 C 25.10 -12.86 C 9.33 -9.36 C 29.96 -12.86 C 4.49 -9.36 C 20.26 -12.86 C 28.75 -9.36 C 5.70 -12.86 C 23.89 -9.36 C 10.53 -12.86 C 14.19 -9.36 C 19.04 -10.76 C 17.83 -11.46 C 21.48 -10.76 C 26.33 -10.76 C 8.12 -11.46 C 16.62 -10.76 C 22.69 -11.46 C 27.54 -11.46 C 6.91 -10.76 C 11.76 -10.76 C 13.61 -13.45 C 12.97 -11.46 O 14.78 -12.71 O 13.61 -12.04 C 29.96 -11.46 C 4.49 -10.76 C 20.26 -11.46 C 25.10 -11.46 C 9.33 -10.76 C 28.75 -10.76 C 5.70 -11.46 C 23.89 -10.76 C 10.53 -11.46 C 15.40 -11.46 C 14.19 -10.76 1 27 2 2 28 2 3 30 2 4 31 2 5 27 1 6 28 1 7 29 1 8 32 1 9 33 1 10 34 1 11 35 1 37 12 -1 13 14 1 13 29 2 14 18 1 15 19 1 15 29 1 16 20 1 16 30 1 17 21 1 17 31 1 18 36 1 19 34 1 20 32 1 21 33 1 22 24 1 22 35 1 23 25 1 23 26 1 24 37 1 36 25 -1 26 37 1 27 32 1 28 33 1 30 34 1 31 35 1 36 37 1', '37 37 C:110 31.18 -10.76 C:110 3.28 -11.46 C:107 25.10 -12.86 C:108 9.33 -9.36 C:19 29.96 -12.86 C:19 4.49 -9.36 C:16 20.26 -12.86 C:20 28.75 -9.36 C:20 5.70 -12.86 C:20 23.89 -9.36 C:21 10.53 -12.86 C:22 14.19 -9.36 C:124 19.04 -10.76 C:26 17.83 -11.46 C:38 21.48 -10.76 C:32 26.33 -10.76 C:32 8.12 -11.46 C:29 16.62 -10.76 C:34 22.69 -11.46 C:33 27.54 -11.46 C:34 6.91 -10.76 C:29 11.76 -10.76 C:106 13.61 -13.45 C:34 12.97 -11.46 O 14.78 -12.71 O 13.61 -12.04 C:150 29.96 -11.46 C:150 4.49 -10.76 C:136 20.26 -11.46 C:155 25.10 -11.46 C:155 9.33 -10.76 C:41 28.75 -10.76 C:41 5.70 -11.46 C:40 23.89 -10.76 C:41 10.53 -11.46 C:85 15.40 -11.46 C:82 14.19 -10.76 1 27 2 2 28 2 3 30 2 4 31 2 5 27 1 6 28 1 7 29 1 8 32 1 9 33 1 10 34 1 11 35 1 37 12 -1 13 14 1 13 29 2 14 18 1 15 19 1 15 29 1 16 20 1 16 30 1 17 21 1 17 31 1 18 36 1 19 34 1 20 32 1 21 33 1 22 24 1 22 35 1 23 25 1 23 26 1 24 37 1 36 25 -1 26 37 1 27 32 1 28 33 1 30 34 1 31 35 1 36 37 1', 'C35H60O2', 512.373, 'C', 'ph08_2380_1', 3943, '', 'he dibujado ph08_2380_6 por los desplazamientos', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15692, 'Honulactone E', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]25[CH2:15][CH2:16][C:17]1=[C:18]([C:25](=O)O[C@H:24]1[CH3:26])[C@@:13]2([CH3:23])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003](O)[CH2:12004][CH3:12005])[CH2:11][C@:9]6([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH2:19][C@@H:20]3[CH3:27])[C@:5]4([H])[CH2:6][CH2:7][C@@:8]56[CH3:21]', '[H][C@@]25CCC1=C(C(=O)O[C@H]1C)[C@@]2(C)[C@@H](OC(=O)CC(O)CC)C[C@]6([H])[C@@]4(C)CCC[C@@]3(C[C@@H]3C)[C@]4([H])CC[C@@]56C', '[H][C@@:51]25[CH2:17][CH2:24][C:164]1=[C:133]([C:171](=O)O[C@H:78]1[CH3:19])[C@@:38]2([CH3:21])[C@@H:75](O[C:171](=O)[CH2:42][CH:69](O)[CH2:29][CH3:10])[CH2:21][C@:51]6([H])[C@@:37]4([CH3:14])[CH2:40][CH2:21][CH2:33][C@@:23]3([CH2:14][C@@H:13]3[CH3:13])[C@:50]4([H])[CH2:17][CH2:40][C@@:38]56[CH3:17]', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C:12005 11.19 -7.45 C:26 23.26 -9.75 C:27 11.44 -16.71 C:22 14.63 -11.12 C:21 17.16 -11.19 C:23 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C:12004 12.38 -8.19 C:2 12.09 -12.61 C:16 20.85 -11.85 C:1 13.36 -11.85 C:15 19.62 -12.54 C:3 12.09 -14.07 C:6 15.87 -14.80 C:7 17.16 -14.07 C:12002 14.79 -8.25 C:11 15.87 -10.39 C:19 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C:12001 16.00 -7.59 C:25 19.92 -8.30 C:17 20.85 -10.39 C:18 19.62 -9.68 C:24 21.89 -9.45 C:20 12.66 -16.01 C:12003 13.61 -7.53 C:12 17.16 -9.68 C:14 18.41 -11.85 C:5 14.63 -14.07 C:9 15.87 -11.85 C:10 14.63 -12.61 C:8 17.16 -12.61 C:13 18.41 -10.39 C:4 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C 11.19 -7.45 C 23.26 -9.75 C 11.44 -16.71 C 14.63 -11.12 C 17.16 -11.19 C 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C 12.38 -8.19 C 12.09 -12.61 C 20.85 -11.85 C 13.36 -11.85 C 19.62 -12.54 C 12.09 -14.07 C 15.87 -14.80 C 17.16 -14.07 C 14.79 -8.25 C 15.87 -10.39 C 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C 16.00 -7.59 C 19.92 -8.30 C 20.85 -10.39 C 19.62 -9.68 C 21.89 -9.45 C 12.66 -16.01 C 13.61 -7.53 C 17.16 -9.68 C 18.41 -11.85 C 14.63 -14.07 C 15.87 -11.85 C 14.63 -12.61 C 17.16 -12.61 C 18.41 -10.39 C 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C:10 11.19 -7.45 C:19 23.26 -9.75 C:13 11.44 -16.71 C:14 14.63 -11.12 C:17 17.16 -11.19 C:21 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C:29 12.38 -8.19 C:21 12.09 -12.61 C:24 20.85 -11.85 C:40 13.36 -11.85 C:17 19.62 -12.54 C:33 12.09 -14.07 C:17 15.87 -14.80 C:40 17.16 -14.07 C:42 14.79 -8.25 C:21 15.87 -10.39 C:14 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C:171 16.00 -7.59 C:171 19.92 -8.30 C:164 20.85 -10.39 C:133 19.62 -9.68 C:78 21.89 -9.45 C:13 12.66 -16.01 C:69 13.61 -7.53 C:75 17.16 -9.68 C:51 18.41 -11.85 C:50 14.63 -14.07 C:51 15.87 -11.85 C:37 14.63 -12.61 C:38 17.16 -12.61 C:38 18.41 -10.39 C:23 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', 'C32H48O5', 512.363, 'C', 'joc00_6837_5', 3947, '', '', '1', 47, NULL, NULL),
(15694, 'Honulactone G', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]2([CH3:21])[C@:9]([H])([CH2:11][C@H:12](O[C:12001](=O)[CH2:12002][CH:12003]([CH3:12004])O)[C@:13]3([CH3:23])[C:18]1=[C:17]([C@H:24]([CH3:26])O[C:25]1=O)[C@H:16](O)[CH2:15][C@@:14]23[H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]56[CH2:19][C@@H:20]6[CH3:27]', '[H][C@@]45CC[C@]2(C)[C@]([H])(C[C@H](OC(=O)CC(C)O)[C@]3(C)C1=C([C@H](C)OC1=O)[C@H](O)C[C@@]23[H])[C@@]4(C)CCC[C@@]56C[C@@H]6C', '[H][C@@:50]45[CH2:17][CH2:40][C@:37]2([CH3:17])[C@:51]([H])([CH2:21][C@H:74](O[C:172](=O)[CH2:43][CH:64]([CH3:22])O)[C@:39]3([CH3:20])[C:136]1=[C:162]([C@H:77]([CH3:18])O[C:171]1=O)[C@H:62](O)[CH2:28][C@@:46]23[H])[C@@:38]4([CH3:14])[CH2:40][CH2:21][CH2:33][C@@:23]56[CH2:14][C@@H:13]6[CH3:13]', '40 45 H 14.52 -15.10 H 15.76 -12.87 H 18.30 -12.87 C:12004 12.27 -8.19 C:26 23.15 -9.75 C:27 11.33 -16.71 C:22 14.52 -11.12 C:21 17.05 -11.19 C:23 18.30 -8.99 O 15.89 -6.19 O 18.88 -7.27 O 13.50 -6.13 O 21.93 -12.61 C:2 11.98 -12.61 C:1 13.25 -11.85 C:3 11.98 -14.07 C:6 15.76 -14.80 C:7 17.05 -14.07 C:12002 14.68 -8.25 C:15 19.51 -12.54 C:11 15.76 -10.39 C:19 13.95 -16.01 O 21.21 -8.19 O 17.05 -8.30 C:12001 15.89 -7.59 C:25 19.81 -8.30 C:17 20.74 -10.39 C:18 19.51 -9.68 C:12003 13.50 -7.53 C:24 21.78 -9.45 C:20 12.55 -16.01 C:16 20.74 -11.85 C:12 17.05 -9.68 C:5 14.52 -14.07 C:9 15.76 -11.85 C:14 18.30 -11.85 C:10 14.52 -12.61 C:8 17.05 -12.61 C:13 18.30 -10.39 C:4 13.25 -14.80 34 1 -2 35 2 -2 36 3 -2 4 29 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 29 1 32 13 -2 14 15 1 14 16 1 15 37 1 16 40 1 17 18 1 17 34 1 18 38 1 19 25 1 19 29 1 20 32 1 20 36 1 21 33 1 21 35 1 22 31 1 40 22 -2 23 26 1 23 30 1 24 25 1 33 24 -2 26 28 1 27 28 2 27 30 1 27 32 1 28 39 1 31 40 1 33 39 1 34 37 1 34 40 1 35 37 1 35 38 1 36 38 1 36 39 1', '40 45 H 14.52 -15.10 H 15.76 -12.87 H 18.30 -12.87 C 12.27 -8.19 C 23.15 -9.75 C 11.33 -16.71 C 14.52 -11.12 C 17.05 -11.19 C 18.30 -8.99 O 15.89 -6.19 O 18.88 -7.27 O 13.50 -6.13 O 21.93 -12.61 C 11.98 -12.61 C 13.25 -11.85 C 11.98 -14.07 C 15.76 -14.80 C 17.05 -14.07 C 14.68 -8.25 C 19.51 -12.54 C 15.76 -10.39 C 13.95 -16.01 O 21.21 -8.19 O 17.05 -8.30 C 15.89 -7.59 C 19.81 -8.30 C 20.74 -10.39 C 19.51 -9.68 C 13.50 -7.53 C 21.78 -9.45 C 12.55 -16.01 C 20.74 -11.85 C 17.05 -9.68 C 14.52 -14.07 C 15.76 -11.85 C 18.30 -11.85 C 14.52 -12.61 C 17.05 -12.61 C 18.30 -10.39 C 13.25 -14.80 34 1 -2 35 2 -2 36 3 -2 4 29 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 29 1 32 13 -2 14 15 1 14 16 1 15 37 1 16 40 1 17 18 1 17 34 1 18 38 1 19 25 1 19 29 1 20 32 1 20 36 1 21 33 1 21 35 1 22 31 1 40 22 -2 23 26 1 23 30 1 24 25 1 33 24 -2 26 28 1 27 28 2 27 30 1 27 32 1 28 39 1 31 40 1 33 39 1 34 37 1 34 40 1 35 37 1 35 38 1 36 38 1 36 39 1', '40 45 H 14.52 -15.10 H 15.76 -12.87 H 18.30 -12.87 C:22 12.27 -8.19 C:18 23.15 -9.75 C:13 11.33 -16.71 C:14 14.52 -11.12 C:17 17.05 -11.19 C:20 18.30 -8.99 O 15.89 -6.19 O 18.88 -7.27 O 13.50 -6.13 O 21.93 -12.61 C:21 11.98 -12.61 C:40 13.25 -11.85 C:33 11.98 -14.07 C:17 15.76 -14.80 C:40 17.05 -14.07 C:43 14.68 -8.25 C:28 19.51 -12.54 C:21 15.76 -10.39 C:14 13.95 -16.01 O 21.21 -8.19 O 17.05 -8.30 C:172 15.89 -7.59 C:171 19.81 -8.30 C:162 20.74 -10.39 C:136 19.51 -9.68 C:64 13.50 -7.53 C:77 21.78 -9.45 C:13 12.55 -16.01 C:62 20.74 -11.85 C:74 17.05 -9.68 C:50 14.52 -14.07 C:51 15.76 -11.85 C:46 18.30 -11.85 C:38 14.52 -12.61 C:37 17.05 -12.61 C:39 18.30 -10.39 C:23 13.25 -14.80 34 1 -2 35 2 -2 36 3 -2 4 29 1 30 5 -1 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 29 1 32 13 -2 14 15 1 14 16 1 15 37 1 16 40 1 17 18 1 17 34 1 18 38 1 19 25 1 19 29 1 20 32 1 20 36 1 21 33 1 21 35 1 22 31 1 40 22 -2 23 26 1 23 30 1 24 25 1 33 24 -2 26 28 1 27 28 2 27 30 1 27 32 1 28 39 1 31 40 1 33 39 1 34 37 1 34 40 1 35 37 1 35 38 1 36 38 1 36 39 1', 'C31H46O6', 514.352, '', 'joc00_6837_7', 3947, '', '', '1', 47, NULL, NULL),
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(15704, '12-epi-Acetylscalarolide', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:21])[C@:14]2([H])[CH2:15][CH2:16][C:17]1=[C:18]([C:25](=O)O[CH2:24]1)[C@@:13]2([CH3:23])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@:9]3([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]5([CH3:20])[CH3:19]', '[H][C@@]45CC[C@@]3(C)[C@]2([H])CCC1=C(C(=O)OC1)[C@@]2(C)[C@@H](OC(C)=O)C[C@]3([H])[C@@]4(C)CCC[C@@]5(C)C', '[H][C@@:57]45[CH2:18][CH2:42][C@@:39]3([CH3:16])[C@:51]2([H])[CH2:17][CH2:25][C:133]1=[C:160]([C:170](=O)O[CH2:71]1)[C@@:37]2([CH3:21])[C@@H:74](O[C:172]([CH3:21])=O)[CH2:21][C@:53]3([H])[C@@:38]4([CH3:17])[CH2:40][CH2:18][CH2:42][C@@:33]5([CH3:21])[CH3:33]', '34 38 H 14.88 -15.47 H 18.67 -13.24 H 16.13 -13.24 C:12002 16.25 -6.59 C:20 12.56 -16.14 C:19 14.60 -16.24 C:22 14.88 -11.50 C:21 17.42 -11.57 C:23 18.67 -9.37 O 15.04 -8.66 O 19.24 -7.65 C:2 12.35 -12.97 C:16 21.09 -12.23 C:3 12.35 -14.44 C:1 13.61 -12.23 C:15 19.87 -12.91 C:6 16.13 -15.17 C:7 17.42 -14.44 C:24 22.13 -9.83 C:11 16.13 -10.77 O 21.57 -8.55 O 17.42 -8.66 C:12001 16.25 -7.97 C:17 21.09 -10.77 C:25 20.17 -8.66 C:18 19.87 -10.06 C:12 17.42 -10.06 C:4 13.61 -15.17 C:5 14.88 -14.44 C:14 18.67 -12.23 C:9 16.13 -12.23 C:10 14.88 -12.97 C:8 17.42 -12.97 C:13 18.67 -10.77 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -1 28 6 -2 32 7 -1 33 8 -1 34 9 -1 10 23 2 11 25 2 12 14 1 12 15 1 13 16 1 13 24 1 14 28 1 15 32 1 16 30 1 17 18 1 17 29 1 18 33 1 19 21 1 19 24 1 20 27 1 20 31 1 21 25 1 22 23 1 27 22 -2 24 26 2 25 26 1 26 34 1 27 34 1 28 29 1 29 32 1 30 33 1 30 34 1 31 32 1 31 33 1', '34 38 H 14.88 -15.47 H 18.67 -13.24 H 16.13 -13.24 C 16.25 -6.59 C 12.56 -16.14 C 14.60 -16.24 C 14.88 -11.50 C 17.42 -11.57 C 18.67 -9.37 O 15.04 -8.66 O 19.24 -7.65 C 12.35 -12.97 C 21.09 -12.23 C 12.35 -14.44 C 13.61 -12.23 C 19.87 -12.91 C 16.13 -15.17 C 17.42 -14.44 C 22.13 -9.83 C 16.13 -10.77 O 21.57 -8.55 O 17.42 -8.66 C 16.25 -7.97 C 21.09 -10.77 C 20.17 -8.66 C 19.87 -10.06 C 17.42 -10.06 C 13.61 -15.17 C 14.88 -14.44 C 18.67 -12.23 C 16.13 -12.23 C 14.88 -12.97 C 17.42 -12.97 C 18.67 -10.77 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -1 28 6 -2 32 7 -1 33 8 -1 34 9 -1 10 23 2 11 25 2 12 14 1 12 15 1 13 16 1 13 24 1 14 28 1 15 32 1 16 30 1 17 18 1 17 29 1 18 33 1 19 21 1 19 24 1 20 27 1 20 31 1 21 25 1 22 23 1 27 22 -2 24 26 2 25 26 1 26 34 1 27 34 1 28 29 1 29 32 1 30 33 1 30 34 1 31 32 1 31 33 1', '34 38 H 14.88 -15.47 H 18.67 -13.24 H 16.13 -13.24 C:21 16.25 -6.59 C:21 12.56 -16.14 C:33 14.60 -16.24 C:17 14.88 -11.50 C:16 17.42 -11.57 C:21 18.67 -9.37 O 15.04 -8.66 O 19.24 -7.65 C:18 12.35 -12.97 C:25 21.09 -12.23 C:42 12.35 -14.44 C:40 13.61 -12.23 C:17 19.87 -12.91 C:18 16.13 -15.17 C:42 17.42 -14.44 C:71 22.13 -9.83 C:21 16.13 -10.77 O 21.57 -8.55 O 17.42 -8.66 C:172 16.25 -7.97 C:133 21.09 -10.77 C:170 20.17 -8.66 C:160 19.87 -10.06 C:74 17.42 -10.06 C:33 13.61 -15.17 C:57 14.88 -14.44 C:51 18.67 -12.23 C:53 16.13 -12.23 C:38 14.88 -12.97 C:39 17.42 -12.97 C:37 18.67 -10.77 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -1 28 6 -2 32 7 -1 33 8 -1 34 9 -1 10 23 2 11 25 2 12 14 1 12 15 1 13 16 1 13 24 1 14 28 1 15 32 1 16 30 1 17 18 1 17 29 1 18 33 1 19 21 1 19 24 1 20 27 1 20 31 1 21 25 1 22 23 1 27 22 -2 24 26 2 25 26 1 26 34 1 27 34 1 28 29 1 29 32 1 30 33 1 30 34 1 31 32 1 31 33 1', 'C27H40O4', 428.31, 'C', 'joc97_1481_8', 3948, '', '', '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
(15705, '16-Acetylfuroscalarol', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]2([CH3:24])[C@:9]([H])([CH2:11][C@H:12](O[C:12001]([CH3:12002])=O)[C@:13]3([CH3:25])[c:18]1o[cH:19][cH:20][c:17]1[C@@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]23[H])[C@@:10]4([CH3:23])[CH2:1][CH2:2][CH2:3][C@@:4]5([CH3:22])[CH3:21]', '[H][C@@]45CC[C@]2(C)[C@]([H])(C[C@H](OC(C)=O)[C@]3(C)c1occc1[C@@H](OC(C)=O)C[C@@]23[H])[C@@]4(C)CCC[C@@]5(C)C', '[H][C@@:57]45[CH2:19][CH2:42][C@:37]2([CH3:16])[C@:53]([H])([CH2:22][C@H:73](O[C:170]([CH3:21])=O)[C@:41]3([CH3:22])[c:158]1o[cH:141][cH:109][c:116]1[C@@H:69](O[C:171]([CH3:21])=O)[CH2:25][C@@:50]23[H])[C@@:37]4([CH3:17])[CH2:40][CH2:18][CH2:41][C@@:33]5([CH3:21])[CH3:33]', '37 41 H 14.19 -15.45 H 15.43 -13.23 H 17.98 -13.23 C:16002 22.78 -15.08 C:12002 15.48 -6.59 C:22 11.87 -16.12 C:21 13.90 -16.22 C:23 14.19 -11.49 C:24 16.73 -11.57 C:25 17.98 -9.35 O 20.36 -15.08 O 14.28 -8.70 C:19 20.88 -8.54 C:20 21.44 -9.81 C:2 11.66 -12.97 C:3 11.66 -14.43 C:1 12.92 -12.22 C:6 15.43 -15.15 C:7 16.73 -14.43 C:15 19.19 -12.90 C:11 15.43 -10.74 O 21.57 -12.97 O 16.73 -8.70 O 19.49 -8.70 C:16001 21.57 -14.43 C:12001 15.48 -7.99 C:17 20.36 -10.74 C:18 19.19 -10.03 C:16 20.36 -12.22 C:12 16.73 -10.03 C:4 12.92 -15.15 C:5 14.19 -14.43 C:9 15.43 -12.22 C:14 17.98 -12.22 C:10 14.19 -12.97 C:8 16.73 -12.97 C:13 17.98 -10.74 32 1 -2 33 2 -2 34 3 -2 4 25 1 5 26 1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 37 10 -1 11 25 2 12 26 2 13 14 2 13 24 1 14 27 1 15 16 1 15 17 1 16 31 1 17 35 1 18 19 1 18 32 1 19 36 1 20 29 1 20 34 1 21 30 1 21 33 1 22 25 1 29 22 -1 23 26 1 30 23 -2 24 28 1 27 28 2 27 29 1 28 37 1 30 37 1 31 32 1 32 35 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 14.19 -15.45 H 15.43 -13.23 H 17.98 -13.23 C 22.78 -15.08 C 15.48 -6.59 C 11.87 -16.12 C 13.90 -16.22 C 14.19 -11.49 C 16.73 -11.57 C 17.98 -9.35 O 20.36 -15.08 O 14.28 -8.70 C 20.88 -8.54 C 21.44 -9.81 C 11.66 -12.97 C 11.66 -14.43 C 12.92 -12.22 C 15.43 -15.15 C 16.73 -14.43 C 19.19 -12.90 C 15.43 -10.74 O 21.57 -12.97 O 16.73 -8.70 O 19.49 -8.70 C 21.57 -14.43 C 15.48 -7.99 C 20.36 -10.74 C 19.19 -10.03 C 20.36 -12.22 C 16.73 -10.03 C 12.92 -15.15 C 14.19 -14.43 C 15.43 -12.22 C 17.98 -12.22 C 14.19 -12.97 C 16.73 -12.97 C 17.98 -10.74 32 1 -2 33 2 -2 34 3 -2 4 25 1 5 26 1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 37 10 -1 11 25 2 12 26 2 13 14 2 13 24 1 14 27 1 15 16 1 15 17 1 16 31 1 17 35 1 18 19 1 18 32 1 19 36 1 20 29 1 20 34 1 21 30 1 21 33 1 22 25 1 29 22 -1 23 26 1 30 23 -2 24 28 1 27 28 2 27 29 1 28 37 1 30 37 1 31 32 1 32 35 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 14.19 -15.45 H 15.43 -13.23 H 17.98 -13.23 C:21 22.78 -15.08 C:21 15.48 -6.59 C:21 11.87 -16.12 C:33 13.90 -16.22 C:17 14.19 -11.49 C:16 16.73 -11.57 C:22 17.98 -9.35 O 20.36 -15.08 O 14.28 -8.70 C:141 20.88 -8.54 C:109 21.44 -9.81 C:18 11.66 -12.97 C:41 11.66 -14.43 C:40 12.92 -12.22 C:19 15.43 -15.15 C:42 16.73 -14.43 C:25 19.19 -12.90 C:22 15.43 -10.74 O 21.57 -12.97 O 16.73 -8.70 O 19.49 -8.70 C:171 21.57 -14.43 C:170 15.48 -7.99 C:116 20.36 -10.74 C:158 19.19 -10.03 C:69 20.36 -12.22 C:73 16.73 -10.03 C:33 12.92 -15.15 C:57 14.19 -14.43 C:53 15.43 -12.22 C:50 17.98 -12.22 C:37 14.19 -12.97 C:37 16.73 -12.97 C:41 17.98 -10.74 32 1 -2 33 2 -2 34 3 -2 4 25 1 5 26 1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 37 10 -1 11 25 2 12 26 2 13 14 2 13 24 1 14 27 1 15 16 1 15 17 1 16 31 1 17 35 1 18 19 1 18 32 1 19 36 1 20 29 1 20 34 1 21 30 1 21 33 1 22 25 1 29 22 -1 23 26 1 30 23 -2 24 28 1 27 28 2 27 29 1 28 37 1 30 37 1 31 32 1 32 35 1 33 35 1 33 36 1 34 36 1 34 37 1', 'C29H42O5', 470.331, 'C', 'joc97_1481_9', 3948, '', '', '1', 47, NULL, NULL),
(15706, 'Norscalaral A', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:21])[C@:14]1([H])[CH2:15][C@H:16](O)[C:17]([CH:24]=O)=[CH:18][C@@:13]1([CH3:23])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:20])[CH3:19]', '[H][C@@]34CC[C@@]2(C)[C@]1([H])C[C@H](O)C(C=O)=C[C@@]1(C)[C@@H](OC(C)=O)C[C@]2([H])[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:57]34[CH2:18][CH2:41][C@@:37]2([CH3:16])[C@:47]1([H])[CH2:26][C@H:67](O)[C:141]([CH:196]=O)=[CH:161][C@@:42]1([CH3:21])[C@@H:76](O[C:170]([CH3:21])=O)[CH2:22][C@:53]2([H])[C@@:37]3([CH3:17])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:21])[CH3:33]', '33 36 H 14.19 -15.49 H 17.96 -13.28 H 15.43 -13.28 C:12002 15.43 -6.63 C:20 11.87 -16.16 C:19 13.90 -16.25 C:23 17.96 -9.41 C:22 14.19 -11.54 C:21 16.71 -11.61 O 22.81 -10.81 O 14.19 -8.72 O 21.56 -13.01 C:24 21.56 -10.10 C:18 19.15 -10.10 C:2 11.67 -13.01 C:3 11.67 -14.46 C:1 12.93 -12.26 C:6 15.43 -15.19 C:7 16.71 -14.46 C:15 19.15 -12.94 C:11 15.43 -10.81 O 16.71 -8.72 C:12001 15.43 -8.03 C:17 20.37 -10.81 C:16 20.37 -12.26 C:12 16.71 -10.10 C:4 12.93 -15.19 C:5 14.19 -14.46 C:14 17.96 -12.26 C:9 15.43 -12.26 C:13 17.96 -10.81 C:10 14.19 -13.01 C:8 16.71 -13.01 28 1 -2 29 2 -2 30 3 -2 4 23 1 27 5 -1 27 6 -2 31 7 -1 32 8 -1 33 9 -1 10 13 2 11 23 2 25 12 -1 13 24 1 14 24 2 14 31 1 15 16 1 15 17 1 16 27 1 17 32 1 18 19 1 18 28 1 19 33 1 20 25 1 20 29 1 21 26 1 21 30 1 22 23 1 26 22 -2 24 25 1 26 31 1 27 28 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', '33 36 H 14.19 -15.49 H 17.96 -13.28 H 15.43 -13.28 C 15.43 -6.63 C 11.87 -16.16 C 13.90 -16.25 C 17.96 -9.41 C 14.19 -11.54 C 16.71 -11.61 O 22.81 -10.81 O 14.19 -8.72 O 21.56 -13.01 C 21.56 -10.10 C 19.15 -10.10 C 11.67 -13.01 C 11.67 -14.46 C 12.93 -12.26 C 15.43 -15.19 C 16.71 -14.46 C 19.15 -12.94 C 15.43 -10.81 O 16.71 -8.72 C 15.43 -8.03 C 20.37 -10.81 C 20.37 -12.26 C 16.71 -10.10 C 12.93 -15.19 C 14.19 -14.46 C 17.96 -12.26 C 15.43 -12.26 C 17.96 -10.81 C 14.19 -13.01 C 16.71 -13.01 28 1 -2 29 2 -2 30 3 -2 4 23 1 27 5 -1 27 6 -2 31 7 -1 32 8 -1 33 9 -1 10 13 2 11 23 2 25 12 -1 13 24 1 14 24 2 14 31 1 15 16 1 15 17 1 16 27 1 17 32 1 18 19 1 18 28 1 19 33 1 20 25 1 20 29 1 21 26 1 21 30 1 22 23 1 26 22 -2 24 25 1 26 31 1 27 28 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', '33 36 H 14.19 -15.49 H 17.96 -13.28 H 15.43 -13.28 C:21 15.43 -6.63 C:21 11.87 -16.16 C:33 13.90 -16.25 C:21 17.96 -9.41 C:17 14.19 -11.54 C:16 16.71 -11.61 O 22.81 -10.81 O 14.19 -8.72 O 21.56 -13.01 C:196 21.56 -10.10 C:161 19.15 -10.10 C:19 11.67 -13.01 C:42 11.67 -14.46 C:40 12.93 -12.26 C:18 15.43 -15.19 C:41 16.71 -14.46 C:26 19.15 -12.94 C:22 15.43 -10.81 O 16.71 -8.72 C:170 15.43 -8.03 C:141 20.37 -10.81 C:67 20.37 -12.26 C:76 16.71 -10.10 C:33 12.93 -15.19 C:57 14.19 -14.46 C:47 17.96 -12.26 C:53 15.43 -12.26 C:42 17.96 -10.81 C:37 14.19 -13.01 C:37 16.71 -13.01 28 1 -2 29 2 -2 30 3 -2 4 23 1 27 5 -1 27 6 -2 31 7 -1 32 8 -1 33 9 -1 10 13 2 11 23 2 25 12 -1 13 24 1 14 24 2 14 31 1 15 16 1 15 17 1 16 27 1 17 32 1 18 19 1 18 28 1 19 33 1 20 25 1 20 29 1 21 26 1 21 30 1 22 23 1 26 22 -2 24 25 1 26 31 1 27 28 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', 'C26H40O4', 416.3, 'C', 'joc97_1481_10', 3948, '', '', '1', 47, NULL, NULL),
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(15718, 'Phyllofolactone J', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:21])[C@:14]2([H])[CH2:15][CH2:16][C:17]1=[C:18]([C:25](=O)O[C@H:24]1[CH3:26])[C@@:13]2([CH3:23])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003](O)[CH2:12004][CH3:12005])[CH2:11][C@:9]3([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:19])[CH2:20][CH3:27]', '[H][C@@]45CC[C@@]3(C)[C@]2([H])CCC1=C(C(=O)O[C@H]1C)[C@@]2(C)[C@@H](OC(=O)CC(O)CC)C[C@]3([H])[C@@]4(C)CCC[C@]5(C)CC', '[H][C@@:59]45[CH2:18][CH2:42][C@@:38]3([CH3:17])[C@:51]2([H])[CH2:17][CH2:24][C:164]1=[C:133]([C:171](=O)O[C@H:78]1[CH3:19])[C@@:38]2([CH3:21])[C@@H:75](O[C:172](=O)[CH2:42][CH:69](O)[CH2:29][CH3:10])[CH2:21][C@:53]3([H])[C@@:37]4([CH3:17])[CH2:40][CH2:18][CH2:37][C@:36]5([CH3:29])[CH2:25][CH3:9]', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C:12005 13.05 -4.60 C:27 12.15 -18.29 C:26 22.85 -10.92 C:19 13.93 -17.03 C:22 14.22 -12.29 C:21 16.74 -12.37 C:23 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C:12004 14.22 -5.30 C:20 11.89 -16.93 C:2 11.68 -13.77 C:16 20.43 -13.02 C:3 11.68 -15.24 C:1 12.94 -13.02 C:15 19.20 -13.70 C:6 15.46 -15.97 C:7 16.74 -15.24 C:12002 15.46 -7.44 C:11 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C:12001 15.46 -8.80 C:25 19.50 -9.52 C:17 20.43 -11.56 C:18 19.20 -10.85 C:24 21.48 -10.63 C:12003 14.22 -6.71 C:12 16.74 -10.85 C:4 12.94 -15.97 C:5 14.22 -15.24 C:14 17.99 -13.02 C:9 15.46 -13.02 C:10 14.22 -13.77 C:8 16.74 -13.77 C:13 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -1 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C 13.05 -4.60 C 12.15 -18.29 C 22.85 -10.92 C 13.93 -17.03 C 14.22 -12.29 C 16.74 -12.37 C 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C 14.22 -5.30 C 11.89 -16.93 C 11.68 -13.77 C 20.43 -13.02 C 11.68 -15.24 C 12.94 -13.02 C 19.20 -13.70 C 15.46 -15.97 C 16.74 -15.24 C 15.46 -7.44 C 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C 15.46 -8.80 C 19.50 -9.52 C 20.43 -11.56 C 19.20 -10.85 C 21.48 -10.63 C 14.22 -6.71 C 16.74 -10.85 C 12.94 -15.97 C 14.22 -15.24 C 17.99 -13.02 C 15.46 -13.02 C 14.22 -13.77 C 16.74 -13.77 C 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -1 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C:10 13.05 -4.60 C:9 12.15 -18.29 C:19 22.85 -10.92 C:29 13.93 -17.03 C:17 14.22 -12.29 C:17 16.74 -12.37 C:21 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C:29 14.22 -5.30 C:25 11.89 -16.93 C:18 11.68 -13.77 C:24 20.43 -13.02 C:37 11.68 -15.24 C:40 12.94 -13.02 C:17 19.20 -13.70 C:18 15.46 -15.97 C:42 16.74 -15.24 C:42 15.46 -7.44 C:21 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C:172 15.46 -8.80 C:171 19.50 -9.52 C:164 20.43 -11.56 C:133 19.20 -10.85 C:78 21.48 -10.63 C:69 14.22 -6.71 C:75 16.74 -10.85 C:36 12.94 -15.97 C:59 14.22 -15.24 C:51 17.99 -13.02 C:53 15.46 -13.02 C:37 14.22 -13.77 C:38 16.74 -13.77 C:38 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -1 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', 'C32H50O5', 514.363, 'C', 'np00_1388_5', 3951, '', '', '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
(15719, 'Phyllofolactone K', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:21])[C@:14]2([H])[CH2:15][CH2:16][C:17]1=[C:18]([C:25](=O)O[C@@H:24]1[CH3:26])[C@@:13]2([CH3:23])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003](O)[CH2:12004][CH3:12005])[CH2:11][C@:9]3([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:19])[CH2:20][CH3:27]', '[H][C@@]45CC[C@@]3(C)[C@]2([H])CCC1=C(C(=O)O[C@@H]1C)[C@@]2(C)[C@@H](OC(=O)CC(O)CC)C[C@]3([H])[C@@]4(C)CCC[C@]5(C)CC', '[H][C@@:59]45[CH2:18][CH2:42][C@@:38]3([CH3:17])[C@:51]2([H])[CH2:17][CH2:24][C:164]1=[C:133]([C:171](=O)O[C@@H:78]1[CH3:19])[C@@:38]2([CH3:21])[C@@H:75](O[C:172](=O)[CH2:42][CH:69](O)[CH2:29][CH3:10])[CH2:21][C@:54]3([H])[C@@:37]4([CH3:17])[CH2:40][CH2:18][CH2:37][C@:36]5([CH3:29])[CH2:25][CH3:9]', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C:12005 13.05 -4.60 C:27 12.15 -18.29 C:26 22.85 -10.92 C:19 13.93 -17.03 C:22 14.22 -12.29 C:21 16.74 -12.37 C:23 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C:12004 14.22 -5.30 C:20 11.89 -16.93 C:2 11.68 -13.77 C:16 20.43 -13.02 C:3 11.68 -15.24 C:1 12.94 -13.02 C:15 19.20 -13.70 C:6 15.46 -15.97 C:7 16.74 -15.24 C:12002 15.46 -7.44 C:11 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C:12001 15.46 -8.80 C:25 19.50 -9.52 C:17 20.43 -11.56 C:18 19.20 -10.85 C:24 21.48 -10.63 C:12003 14.22 -6.71 C:12 16.74 -10.85 C:4 12.94 -15.97 C:5 14.22 -15.24 C:14 17.99 -13.02 C:9 15.46 -13.02 C:10 14.22 -13.77 C:8 16.74 -13.77 C:13 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -2 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C 13.05 -4.60 C 12.15 -18.29 C 22.85 -10.92 C 13.93 -17.03 C 14.22 -12.29 C 16.74 -12.37 C 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C 14.22 -5.30 C 11.89 -16.93 C 11.68 -13.77 C 20.43 -13.02 C 11.68 -15.24 C 12.94 -13.02 C 19.20 -13.70 C 15.46 -15.97 C 16.74 -15.24 C 15.46 -7.44 C 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C 15.46 -8.80 C 19.50 -9.52 C 20.43 -11.56 C 19.20 -10.85 C 21.48 -10.63 C 14.22 -6.71 C 16.74 -10.85 C 12.94 -15.97 C 14.22 -15.24 C 17.99 -13.02 C 15.46 -13.02 C 14.22 -13.77 C 16.74 -13.77 C 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -2 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', '40 44 H 14.22 -16.26 H 17.99 -14.03 H 15.46 -14.03 C:10 13.05 -4.60 C:9 12.15 -18.29 C:19 22.85 -10.92 C:29 13.93 -17.03 C:17 14.22 -12.29 C:17 16.74 -12.37 C:21 17.99 -10.16 O 14.30 -9.52 O 18.56 -8.45 O 13.05 -7.44 C:29 14.22 -5.30 C:25 11.89 -16.93 C:18 11.68 -13.77 C:24 20.43 -13.02 C:37 11.68 -15.24 C:40 12.94 -13.02 C:17 19.20 -13.70 C:18 15.46 -15.97 C:42 16.74 -15.24 C:42 15.46 -7.44 C:21 15.46 -11.56 O 16.74 -9.52 O 20.92 -9.34 C:172 15.46 -8.80 C:171 19.50 -9.52 C:164 20.43 -11.56 C:133 19.20 -10.85 C:78 21.48 -10.63 C:69 14.22 -6.71 C:75 16.74 -10.85 C:36 12.94 -15.97 C:59 14.22 -15.24 C:51 17.99 -13.02 C:54 15.46 -13.02 C:37 14.22 -13.77 C:38 16.74 -13.77 C:38 17.99 -11.56 35 1 -2 36 2 -2 37 3 -2 4 14 1 5 15 1 31 6 -2 34 7 -2 38 8 -1 39 9 -1 40 10 -1 11 27 2 12 28 2 13 32 1 14 32 1 34 15 -1 16 18 1 16 19 1 17 20 1 17 29 1 18 34 1 19 38 1 20 36 1 21 22 1 21 35 1 22 39 1 23 27 1 23 32 1 24 33 1 24 37 1 25 27 1 33 25 -2 26 28 1 26 31 1 28 30 1 29 30 2 29 31 1 30 40 1 33 40 1 34 35 1 35 38 1 36 39 1 36 40 1 37 38 1 37 39 1', 'C32H50O5', 514.363, 'C', 'np00_1388_6', 3951, '', '', '1', 47, NULL, NULL),
(15720, 'Salmahyrtisol A', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:21])[C@:13]2([H])[CH2:14][C@H:15](O)[c:16]1[cH:25][cH:24]o[c:17]1[C@@H:18](O[C:18001]([CH3:18002])=O)[C@@:12]2([CH3:23])[CH2:11][C@:9]3([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:19])[CH3:20]', '[H][C@@]45CC[C@@]3(C)[C@]2([H])C[C@H](O)c1ccoc1[C@@H](OC(C)=O)[C@@]2(C)C[C@]3([H])[C@@]4(C)CCC[C@]5(C)C', '[H][C@@:58]45[CH2:18][CH2:40][C@@:45]3([CH3:17])[C@:51]2([H])[CH2:33][C@H:70](O)[c:126]1[cH:111][cH:142]o[c:146]1[C@@H:76](O[C:171]([CH3:21])=O)[C@@:43]2([CH3:25])[CH2:34][C@:61]3([H])[C@@:37]4([CH3:15])[CH2:41][CH2:19][CH2:43][C@:33]5([CH3:34])[CH3:21]', '34 38 H 14.74 -15.07 H 18.36 -12.69 H 16.01 -12.93 C:18002 15.36 -6.99 C:19 14.40 -15.81 C:20 12.60 -15.81 C:23 16.91 -9.16 C:22 14.74 -11.18 C:21 17.26 -11.18 O 15.63 -9.39 O 22.11 -11.90 C:24 21.82 -7.55 C:25 22.17 -8.96 C:2 12.28 -12.63 C:3 12.28 -14.04 C:1 13.49 -11.90 C:6 16.01 -14.77 C:7 17.26 -14.04 C:14 19.73 -12.01 C:11 16.32 -10.49 O 17.58 -7.94 O 20.38 -7.44 C:18001 16.19 -8.11 C:16 20.88 -9.71 C:17 19.84 -8.77 C:15 20.88 -11.18 C:18 18.42 -9.06 C:4 13.49 -14.77 C:5 14.74 -14.04 C:13 18.36 -11.65 C:9 16.01 -11.90 C:12 17.74 -10.34 C:10 14.74 -12.63 C:8 17.26 -12.63 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -2 28 6 -1 32 7 -1 33 8 -1 34 9 -1 10 23 2 26 11 -1 12 13 2 12 22 1 13 24 1 14 15 1 14 16 1 15 28 1 16 33 1 17 18 1 17 29 1 18 34 1 19 26 1 19 30 1 20 31 1 20 32 1 21 23 1 27 21 -2 22 25 1 24 25 2 24 26 1 25 27 1 27 32 1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 34 1', '34 38 H 14.74 -15.07 H 18.36 -12.69 H 16.01 -12.93 C 15.36 -6.99 C 14.40 -15.81 C 12.60 -15.81 C 16.91 -9.16 C 14.74 -11.18 C 17.26 -11.18 O 15.63 -9.39 O 22.11 -11.90 C 21.82 -7.55 C 22.17 -8.96 C 12.28 -12.63 C 12.28 -14.04 C 13.49 -11.90 C 16.01 -14.77 C 17.26 -14.04 C 19.73 -12.01 C 16.32 -10.49 O 17.58 -7.94 O 20.38 -7.44 C 16.19 -8.11 C 20.88 -9.71 C 19.84 -8.77 C 20.88 -11.18 C 18.42 -9.06 C 13.49 -14.77 C 14.74 -14.04 C 18.36 -11.65 C 16.01 -11.90 C 17.74 -10.34 C 14.74 -12.63 C 17.26 -12.63 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -2 28 6 -1 32 7 -1 33 8 -1 34 9 -1 10 23 2 26 11 -1 12 13 2 12 22 1 13 24 1 14 15 1 14 16 1 15 28 1 16 33 1 17 18 1 17 29 1 18 34 1 19 26 1 19 30 1 20 31 1 20 32 1 21 23 1 27 21 -2 22 25 1 24 25 2 24 26 1 25 27 1 27 32 1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 34 1', '34 38 H 14.74 -15.07 H 18.36 -12.69 H 16.01 -12.93 C:21 15.36 -6.99 C:34 14.40 -15.81 C:21 12.60 -15.81 C:25 16.91 -9.16 C:15 14.74 -11.18 C:17 17.26 -11.18 O 15.63 -9.39 O 22.11 -11.90 C:142 21.82 -7.55 C:111 22.17 -8.96 C:19 12.28 -12.63 C:43 12.28 -14.04 C:41 13.49 -11.90 C:18 16.01 -14.77 C:40 17.26 -14.04 C:33 19.73 -12.01 C:34 16.32 -10.49 O 17.58 -7.94 O 20.38 -7.44 C:171 16.19 -8.11 C:126 20.88 -9.71 C:146 19.84 -8.77 C:70 20.88 -11.18 C:76 18.42 -9.06 C:33 13.49 -14.77 C:58 14.74 -14.04 C:51 18.36 -11.65 C:61 16.01 -11.90 C:43 17.74 -10.34 C:37 14.74 -12.63 C:45 17.26 -12.63 29 1 -2 30 2 -2 31 3 -2 4 23 1 28 5 -2 28 6 -1 32 7 -1 33 8 -1 34 9 -1 10 23 2 26 11 -1 12 13 2 12 22 1 13 24 1 14 15 1 14 16 1 15 28 1 16 33 1 17 18 1 17 29 1 18 34 1 19 26 1 19 30 1 20 31 1 20 32 1 21 23 1 27 21 -2 22 25 1 24 25 2 24 26 1 25 27 1 27 32 1 28 29 1 29 33 1 30 32 1 30 34 1 31 33 1 31 34 1', 'C27H40O4', 428.31, 'C', 'np02_2_1', 3952, '', '', '1', 47, NULL, NULL),
(15721, 'Salmahyrtisol B', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:24])[C@:14]2([H])[CH2:15][C:16](=O)[c:17]1[cH:20]o[cH:19][c:18]1[C@@:13]2([CH3:25])[C@H:12](O)[CH2:11][C@:9]3([H])[C@@:10]4([CH3:23])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:21])[CH3:22]', '[H][C@@]45CC[C@@]3(C)[C@]2([H])CC(=O)c1cocc1[C@@]2(C)[C@H](O)C[C@]3([H])[C@@]4(C)CCC[C@]5(C)C', '[H][C@@:57]45[CH2:19][CH2:41][C@@:38]3([CH3:16])[C@:55]2([H])[CH2:36][C:196](=O)[c:123]1[cH:143]o[cH:138][c:136]1[C@@:40]2([CH3:17])[C@H:79](O)[CH2:28][C@:59]3([H])[C@@:37]4([CH3:17])[CH2:40][CH2:18][CH2:42][C@:33]5([CH3:33])[CH3:22]', '31 35 H 14.84 -14.49 H 18.60 -12.27 H 16.07 -12.27 C:21 14.56 -15.26 C:22 12.52 -15.16 C:23 14.84 -10.52 C:24 17.35 -10.60 C:25 18.60 -8.39 O 22.19 -12.00 O 17.35 -7.71 C:20 22.07 -8.85 C:19 20.11 -7.71 C:2 12.31 -12.00 C:3 12.31 -13.47 C:1 13.57 -11.25 C:6 16.07 -14.20 C:7 17.35 -13.47 C:15 19.81 -11.93 C:11 16.07 -9.79 O 21.51 -7.58 C:16 21.03 -11.25 C:17 21.03 -9.79 C:18 19.81 -9.08 C:12 17.35 -9.08 C:4 13.57 -14.20 C:5 14.84 -13.47 C:14 18.60 -11.25 C:9 16.07 -11.25 C:10 14.84 -12.00 C:8 17.35 -12.00 C:13 18.60 -9.79 26 1 -2 27 2 -2 28 3 -2 25 4 -2 25 5 -1 29 6 -1 30 7 -1 31 8 -1 9 21 2 24 10 -1 11 20 1 11 22 2 12 20 1 12 23 2 13 14 1 13 15 1 14 25 1 15 29 1 16 17 1 16 26 1 17 30 1 18 21 1 18 27 1 19 24 1 19 28 1 21 22 1 22 23 1 23 31 1 24 31 1 25 26 1 26 29 1 27 30 1 27 31 1 28 29 1 28 30 1', '31 35 H 14.84 -14.49 H 18.60 -12.27 H 16.07 -12.27 C 14.56 -15.26 C 12.52 -15.16 C 14.84 -10.52 C 17.35 -10.60 C 18.60 -8.39 O 22.19 -12.00 O 17.35 -7.71 C 22.07 -8.85 C 20.11 -7.71 C 12.31 -12.00 C 12.31 -13.47 C 13.57 -11.25 C 16.07 -14.20 C 17.35 -13.47 C 19.81 -11.93 C 16.07 -9.79 O 21.51 -7.58 C 21.03 -11.25 C 21.03 -9.79 C 19.81 -9.08 C 17.35 -9.08 C 13.57 -14.20 C 14.84 -13.47 C 18.60 -11.25 C 16.07 -11.25 C 14.84 -12.00 C 17.35 -12.00 C 18.60 -9.79 26 1 -2 27 2 -2 28 3 -2 25 4 -2 25 5 -1 29 6 -1 30 7 -1 31 8 -1 9 21 2 24 10 -1 11 20 1 11 22 2 12 20 1 12 23 2 13 14 1 13 15 1 14 25 1 15 29 1 16 17 1 16 26 1 17 30 1 18 21 1 18 27 1 19 24 1 19 28 1 21 22 1 22 23 1 23 31 1 24 31 1 25 26 1 26 29 1 27 30 1 27 31 1 28 29 1 28 30 1', '31 35 H 14.84 -14.49 H 18.60 -12.27 H 16.07 -12.27 C:33 14.56 -15.26 C:22 12.52 -15.16 C:17 14.84 -10.52 C:16 17.35 -10.60 C:17 18.60 -8.39 O 22.19 -12.00 O 17.35 -7.71 C:143 22.07 -8.85 C:138 20.11 -7.71 C:18 12.31 -12.00 C:42 12.31 -13.47 C:40 13.57 -11.25 C:19 16.07 -14.20 C:41 17.35 -13.47 C:36 19.81 -11.93 C:28 16.07 -9.79 O 21.51 -7.58 C:196 21.03 -11.25 C:123 21.03 -9.79 C:136 19.81 -9.08 C:79 17.35 -9.08 C:33 13.57 -14.20 C:57 14.84 -13.47 C:55 18.60 -11.25 C:59 16.07 -11.25 C:37 14.84 -12.00 C:38 17.35 -12.00 C:40 18.60 -9.79 26 1 -2 27 2 -2 28 3 -2 25 4 -2 25 5 -1 29 6 -1 30 7 -1 31 8 -1 9 21 2 24 10 -1 11 20 1 11 22 2 12 20 1 12 23 2 13 14 1 13 15 1 14 25 1 15 29 1 16 17 1 16 26 1 17 30 1 18 21 1 18 27 1 19 24 1 19 28 1 21 22 1 22 23 1 23 31 1 24 31 1 25 26 1 26 29 1 27 30 1 27 31 1 28 29 1 28 30 1', 'C25H36O3', 384.29, 'C', 'np02_2_5', 3952, '', '', '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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(15746, 'Hyrtiosal', '', 'Terpenoids', 'Sesterterpenoids', 'Tricarbocyclics', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@H:14]([CH2:15][C@H:16](O)[c:17]1[cH:18][cH:19]o[cH:25]1)[C@@:13]([CH3:12])([CH:24]=O)[CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:21])[CH3:20]', '[H][C@]34CC[C@@]2(C)[C@H](C[C@H](O)c1ccoc1)[C@@](C)(C=O)C[C@]2([H])[C@@]3(C)CCC[C@@]4(C)C', '[H][C@:57]34[CH2:18][CH2:40][C@@:45]2([CH3:17])[C@H:48]([CH2:34][C@H:64](O)[c:129]1[cH:110][cH:143]o[cH:140]1)[C@@:53]([CH3:19])([CH:206]=O)[CH2:34][C@:60]2([H])[C@@:37]3([CH3:16])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:21])[CH3:34]', '30 33 H 13.76 -14.38 H 15.01 -12.11 C:21 11.58 -15.21 C:20 13.34 -15.21 C:12 17.69 -8.54 C:23 16.29 -10.46 C:22 13.76 -10.35 O 15.09 -7.68 O 19.24 -8.81 C:24 16.40 -8.15 C:19 23.20 -10.01 C:18 21.96 -9.35 C:25 21.54 -11.57 C:2 11.27 -11.80 C:3 11.27 -13.23 C:1 12.51 -11.09 C:6 15.01 -13.96 C:7 16.29 -13.23 C:15 18.67 -11.09 C:11 15.31 -9.70 O 22.93 -11.40 C:17 20.96 -10.28 C:16 19.61 -10.01 C:14 17.29 -10.82 C:4 12.51 -13.96 C:13 16.72 -9.54 C:5 13.76 -13.23 C:9 15.01 -11.09 C:8 16.29 -11.80 C:10 13.76 -11.80 27 1 -1 28 2 -2 25 3 -1 25 4 -2 26 5 -1 29 6 -1 30 7 -1 8 10 2 23 9 -2 26 10 -2 11 12 2 11 21 1 12 22 1 13 21 1 13 22 2 14 15 1 14 16 1 15 25 1 16 30 1 17 18 1 17 27 1 18 29 1 19 23 1 24 19 -1 20 26 1 20 28 1 22 23 1 24 26 1 24 29 1 25 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 13.76 -14.38 H 15.01 -12.11 C 11.58 -15.21 C 13.34 -15.21 C 17.69 -8.54 C 16.29 -10.46 C 13.76 -10.35 O 15.09 -7.68 O 19.24 -8.81 C 16.40 -8.15 C 23.20 -10.01 C 21.96 -9.35 C 21.54 -11.57 C 11.27 -11.80 C 11.27 -13.23 C 12.51 -11.09 C 15.01 -13.96 C 16.29 -13.23 C 18.67 -11.09 C 15.31 -9.70 O 22.93 -11.40 C 20.96 -10.28 C 19.61 -10.01 C 17.29 -10.82 C 12.51 -13.96 C 16.72 -9.54 C 13.76 -13.23 C 15.01 -11.09 C 16.29 -11.80 C 13.76 -11.80 27 1 -1 28 2 -2 25 3 -1 25 4 -2 26 5 -1 29 6 -1 30 7 -1 8 10 2 23 9 -2 26 10 -2 11 12 2 11 21 1 12 22 1 13 21 1 13 22 2 14 15 1 14 16 1 15 25 1 16 30 1 17 18 1 17 27 1 18 29 1 19 23 1 24 19 -1 20 26 1 20 28 1 22 23 1 24 26 1 24 29 1 25 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 13.76 -14.38 H 15.01 -12.11 C:21 11.58 -15.21 C:34 13.34 -15.21 C:19 17.69 -8.54 C:17 16.29 -10.46 C:16 13.76 -10.35 O 15.09 -7.68 O 19.24 -8.81 C:206 16.40 -8.15 C:143 23.20 -10.01 C:110 21.96 -9.35 C:140 21.54 -11.57 C:19 11.27 -11.80 C:42 11.27 -13.23 C:40 12.51 -11.09 C:18 15.01 -13.96 C:40 16.29 -13.23 C:34 18.67 -11.09 C:34 15.31 -9.70 O 22.93 -11.40 C:129 20.96 -10.28 C:64 19.61 -10.01 C:48 17.29 -10.82 C:33 12.51 -13.96 C:53 16.72 -9.54 C:57 13.76 -13.23 C:60 15.01 -11.09 C:45 16.29 -11.80 C:37 13.76 -11.80 27 1 -1 28 2 -2 25 3 -1 25 4 -2 26 5 -1 29 6 -1 30 7 -1 8 10 2 23 9 -2 26 10 -2 11 12 2 11 21 1 12 22 1 13 21 1 13 22 2 14 15 1 14 16 1 15 25 1 16 30 1 17 18 1 17 27 1 18 29 1 19 23 1 24 19 -1 20 26 1 20 28 1 22 23 1 24 26 1 24 29 1 25 27 1 27 30 1 28 29 1 28 30 1', 'C25H38O3', 386.282, 'C', 'np04_921_12', 3849, '', '', '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
(15747, '5,10-Dihydroxyfurospinulosine-1', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH3:25][C:23]([CH3:24])=[CH:22][CH2:21][CH2:20][C:18]([CH3:19])=[CH:17][CH2:16][CH2:15][C:13]([CH3:14])=[CH:12][CH2:11][CH:10](O)[C:8]([CH3:9])=[CH:7][CH2:6][CH:5](O)[c:3]1[cH:2][cH:1]o[cH:4]1', 'CC(C)=CCCC(C)=CCCC(C)=CCC(O)C(C)=CCC(O)c1ccoc1', '[CH3:18][C:131]([CH3:27])=[CH:124][CH2:26][CH2:40][C:135]([CH3:16])=[CH:124][CH2:27][CH2:40][C:139]([CH3:16])=[CH:120][CH2:34][CH:77](O)[C:141]([CH3:12])=[CH:121][CH2:36][CH:67](O)[c:129]1[cH:109][cH:143]o[cH:139]1', '28 28 C:25 7.02 -9.75 C:24 5.82 -11.85 C:19 11.86 -9.75 C:14 16.71 -9.75 C:9 21.56 -9.75 O 20.34 -13.25 O 25.21 -13.25 C:22 8.23 -11.85 C:17 13.07 -11.85 C:12 17.91 -11.85 C:7 22.77 -11.85 C:1 28.65 -10.91 C:2 27.62 -11.85 C:4 26.70 -9.75 C:21 9.44 -11.15 C:16 14.28 -11.15 C:11 19.12 -11.15 C:6 23.98 -11.15 C:20 10.65 -11.85 C:15 15.50 -11.85 O 28.09 -9.63 C:23 7.02 -11.15 C:18 11.86 -11.15 C:13 16.71 -11.15 C:8 21.56 -11.15 C:3 26.41 -11.15 C:10 20.34 -11.85 C:5 25.21 -11.85 1 22 1 2 22 1 3 23 1 4 24 1 5 25 1 6 27 1 7 28 1 8 15 1 8 22 2 9 16 1 9 23 2 10 17 1 10 24 2 11 18 1 11 25 2 12 13 2 12 21 1 13 26 1 14 21 1 14 26 2 15 19 1 16 20 1 17 27 1 18 28 1 19 23 1 20 24 1 25 27 1 26 28 1', '28 28 C 7.02 -9.75 C 5.82 -11.85 C 11.86 -9.75 C 16.71 -9.75 C 21.56 -9.75 O 20.34 -13.25 O 25.21 -13.25 C 8.23 -11.85 C 13.07 -11.85 C 17.91 -11.85 C 22.77 -11.85 C 28.65 -10.91 C 27.62 -11.85 C 26.70 -9.75 C 9.44 -11.15 C 14.28 -11.15 C 19.12 -11.15 C 23.98 -11.15 C 10.65 -11.85 C 15.50 -11.85 O 28.09 -9.63 C 7.02 -11.15 C 11.86 -11.15 C 16.71 -11.15 C 21.56 -11.15 C 26.41 -11.15 C 20.34 -11.85 C 25.21 -11.85 1 22 1 2 22 1 3 23 1 4 24 1 5 25 1 6 27 1 7 28 1 8 15 1 8 22 2 9 16 1 9 23 2 10 17 1 10 24 2 11 18 1 11 25 2 12 13 2 12 21 1 13 26 1 14 21 1 14 26 2 15 19 1 16 20 1 17 27 1 18 28 1 19 23 1 20 24 1 25 27 1 26 28 1', '28 28 C:18 7.02 -9.75 C:27 5.82 -11.85 C:16 11.86 -9.75 C:16 16.71 -9.75 C:12 21.56 -9.75 O 20.34 -13.25 O 25.21 -13.25 C:124 8.23 -11.85 C:124 13.07 -11.85 C:120 17.91 -11.85 C:121 22.77 -11.85 C:143 28.65 -10.91 C:109 27.62 -11.85 C:139 26.70 -9.75 C:26 9.44 -11.15 C:27 14.28 -11.15 C:34 19.12 -11.15 C:36 23.98 -11.15 C:40 10.65 -11.85 C:40 15.50 -11.85 O 28.09 -9.63 C:131 7.02 -11.15 C:135 11.86 -11.15 C:139 16.71 -11.15 C:141 21.56 -11.15 C:129 26.41 -11.15 C:77 20.34 -11.85 C:67 25.21 -11.85 1 22 1 2 22 1 3 23 1 4 24 1 5 25 1 6 27 1 7 28 1 8 15 1 8 22 2 9 16 1 9 23 2 10 17 1 10 24 2 11 18 1 11 25 2 12 13 2 12 21 1 13 26 1 14 21 1 14 26 2 15 19 1 16 20 1 17 27 1 18 28 1 19 23 1 20 24 1 25 27 1 26 28 1', 'C25H38O3', 386.266, 'P', 'np04_921_4', 3849, '', '', '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
(15761, '3-O-Deacetylluffasterol B', '', 'Steroids', 'Ergostanes', '', '[H][C@@:14]4([C:8]3=[CH:7][C@@H:6]1O[C@@:5]12[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]2([CH3:19])[C:9]3=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:24001])[CH:25]([CH3:26])[CH3:27])[C@@:13]4([CH3:18])[CH2:12][CH:11]=O', '[H][C@@]4(C3=C[C@@H]1O[C@@]12C[C@@H](O)CC[C@]2(C)C3=O)CC[C@]([H])([C@H](C)C=C[C@H](C)C(C)C)[C@@]4(C)CC=O', '[H][C@@:45]4([C:141]3=[CH:140][C@@H:54]1O[C@@:64]12[CH2:38][C@@H:68](O)[CH2:31][CH2:28][C@:45]2([CH3:20])[C:201]3=O)[CH2:27][CH2:26][C@:52]([H])([C@H:43]([CH3:20])[CH:133]=[CH:134][C@H:39]([CH3:18])[CH:33]([CH3:21])[CH3:22])[C@@:46]4([CH3:17])[CH2:51][CH:203]=O', '34 37 H 17.06 -12.80 H 18.02 -10.87 C:26 24.87 -9.77 C:27 23.02 -11.39 C:24001 22.96 -7.68 C:21 17.83 -7.53 C:19 13.28 -11.03 C:18 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C:11 15.78 -8.22 C:23 21.13 -9.31 C:22 20.18 -8.22 C:7 15.78 -13.94 C:2 10.82 -12.48 C:12 15.78 -9.61 C:1 12.06 -11.75 C:15 18.33 -12.16 C:16 19.16 -11.03 C:4 12.06 -14.67 O 13.36 -15.34 C:9 14.56 -11.75 C:8 15.78 -12.48 C:25 23.45 -10.08 C:24 22.51 -9.00 C:20 18.77 -8.55 C:3 10.82 -13.94 C:6 14.56 -14.67 C:14 17.06 -11.75 C:17 18.33 -9.89 C:10 13.28 -12.48 C:13 17.06 -10.34 C:5 13.28 -13.94 30 1 -2 31 2 -2 3 25 1 4 25 1 26 5 -2 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 23 2 28 11 -1 12 17 1 13 14 2 13 26 1 14 27 1 15 24 2 15 29 1 16 18 1 16 28 1 33 17 -2 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 24 1 23 32 1 24 30 1 25 26 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', '34 37 H 17.06 -12.80 H 18.02 -10.87 C 24.87 -9.77 C 23.02 -11.39 C 22.96 -7.68 C 17.83 -7.53 C 13.28 -11.03 C 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C 15.78 -8.22 C 21.13 -9.31 C 20.18 -8.22 C 15.78 -13.94 C 10.82 -12.48 C 15.78 -9.61 C 12.06 -11.75 C 18.33 -12.16 C 19.16 -11.03 C 12.06 -14.67 O 13.36 -15.34 C 14.56 -11.75 C 15.78 -12.48 C 23.45 -10.08 C 22.51 -9.00 C 18.77 -8.55 C 10.82 -13.94 C 14.56 -14.67 C 17.06 -11.75 C 18.33 -9.89 C 13.28 -12.48 C 17.06 -10.34 C 13.28 -13.94 30 1 -2 31 2 -2 3 25 1 4 25 1 26 5 -2 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 23 2 28 11 -1 12 17 1 13 14 2 13 26 1 14 27 1 15 24 2 15 29 1 16 18 1 16 28 1 33 17 -2 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 24 1 23 32 1 24 30 1 25 26 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', '34 37 H 17.06 -12.80 H 18.02 -10.87 C:21 24.87 -9.77 C:22 23.02 -11.39 C:18 22.96 -7.68 C:20 17.83 -7.53 C:20 13.28 -11.03 C:17 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C:203 15.78 -8.22 C:134 21.13 -9.31 C:133 20.18 -8.22 C:140 15.78 -13.94 C:31 10.82 -12.48 C:51 15.78 -9.61 C:28 12.06 -11.75 C:27 18.33 -12.16 C:26 19.16 -11.03 C:38 12.06 -14.67 O 13.36 -15.34 C:201 14.56 -11.75 C:141 15.78 -12.48 C:33 23.45 -10.08 C:39 22.51 -9.00 C:43 18.77 -8.55 C:68 10.82 -13.94 C:54 14.56 -14.67 C:45 17.06 -11.75 C:52 18.33 -9.89 C:45 13.28 -12.48 C:46 17.06 -10.34 C:64 13.28 -13.94 30 1 -2 31 2 -2 3 25 1 4 25 1 26 5 -2 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 23 2 28 11 -1 12 17 1 13 14 2 13 26 1 14 27 1 15 24 2 15 29 1 16 18 1 16 28 1 33 17 -2 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 24 1 23 32 1 24 30 1 25 26 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', 'C28H42O4', 442.313, 'C', 'np98_258_1', 3961, '', '', '1', 47, NULL, NULL),
(15762, '', '3-O-Deacetyl-22,23-dihydro-24,28-dehydroluffasterol B', 'Steroids', 'Ergostanes', '', '[H][C@@:14]4([C:8]3=[CH:7][C@@H:6]1O[C@@:5]12[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]2([CH3:19])[C:9]3=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C@@:13]4([CH3:18])[CH2:12][CH:11]=O', '[H][C@@]4(C3=C[C@@H]1O[C@@]12C[C@@H](O)CC[C@]2(C)C3=O)CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CC=O', '[H][C@@:45]4([C:141]3=[CH:140][C@@H:54]1O[C@@:64]12[CH2:38][C@@H:68](O)[CH2:31][CH2:28][C@:45]2([CH3:21])[C:201]3=O)[CH2:27][CH2:26][C@:52]([H])([C@H:35]([CH3:19])[CH2:34][CH2:32][C:156](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[C@@:47]4([CH3:17])[CH2:51][CH:203]=O', '34 37 H 17.06 -12.80 H 18.02 -10.87 C:24001 22.96 -7.68 C:27 23.02 -11.39 C:26 24.87 -9.77 C:21 17.83 -7.53 C:19 13.28 -11.03 C:18 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C:11 15.78 -8.22 C:7 15.78 -13.94 C:23 21.13 -9.31 C:12 15.78 -9.61 C:22 20.18 -8.22 C:2 10.82 -12.48 C:15 18.33 -12.16 C:1 12.06 -11.75 C:16 19.16 -11.03 C:4 12.06 -14.67 O 13.36 -15.34 C:24 22.51 -9.00 C:9 14.56 -11.75 C:8 15.78 -12.48 C:25 23.45 -10.08 C:20 18.77 -8.55 C:3 10.82 -13.94 C:6 14.56 -14.67 C:14 17.06 -11.75 C:17 18.33 -9.89 C:10 13.28 -12.48 C:13 17.06 -10.34 C:5 13.28 -13.94 30 1 -2 31 2 -2 3 23 2 4 26 1 5 26 1 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 24 2 28 11 -1 12 15 1 13 25 2 13 29 1 14 16 1 14 23 1 33 15 -2 16 27 1 17 19 1 17 28 1 18 20 1 18 30 1 19 32 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 26 1 24 25 1 24 32 1 25 30 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', '34 37 H 17.06 -12.80 H 18.02 -10.87 C 22.96 -7.68 C 23.02 -11.39 C 24.87 -9.77 C 17.83 -7.53 C 13.28 -11.03 C 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C 15.78 -8.22 C 15.78 -13.94 C 21.13 -9.31 C 15.78 -9.61 C 20.18 -8.22 C 10.82 -12.48 C 18.33 -12.16 C 12.06 -11.75 C 19.16 -11.03 C 12.06 -14.67 O 13.36 -15.34 C 22.51 -9.00 C 14.56 -11.75 C 15.78 -12.48 C 23.45 -10.08 C 18.77 -8.55 C 10.82 -13.94 C 14.56 -14.67 C 17.06 -11.75 C 18.33 -9.89 C 13.28 -12.48 C 17.06 -10.34 C 13.28 -13.94 30 1 -2 31 2 -2 3 23 2 4 26 1 5 26 1 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 24 2 28 11 -1 12 15 1 13 25 2 13 29 1 14 16 1 14 23 1 33 15 -2 16 27 1 17 19 1 17 28 1 18 20 1 18 30 1 19 32 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 26 1 24 25 1 24 32 1 25 30 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', '34 37 H 17.06 -12.80 H 18.02 -10.87 C:106 22.96 -7.68 C:22 23.02 -11.39 C:22 24.87 -9.77 C:19 17.83 -7.53 C:21 13.28 -11.03 C:17 17.06 -8.91 O 14.56 -7.53 O 14.56 -10.34 O 9.67 -14.67 C:203 15.78 -8.22 C:140 15.78 -13.94 C:32 21.13 -9.31 C:51 15.78 -9.61 C:34 20.18 -8.22 C:31 10.82 -12.48 C:27 18.33 -12.16 C:28 12.06 -11.75 C:26 19.16 -11.03 C:38 12.06 -14.67 O 13.36 -15.34 C:156 22.51 -9.00 C:201 14.56 -11.75 C:141 15.78 -12.48 C:34 23.45 -10.08 C:35 18.77 -8.55 C:68 10.82 -13.94 C:54 14.56 -14.67 C:45 17.06 -11.75 C:52 18.33 -9.89 C:45 13.28 -12.48 C:47 17.06 -10.34 C:64 13.28 -13.94 30 1 -2 31 2 -2 3 23 2 4 26 1 5 26 1 27 6 -2 32 7 -1 33 8 -1 9 12 2 10 24 2 28 11 -1 12 15 1 13 25 2 13 29 1 14 16 1 14 23 1 33 15 -2 16 27 1 17 19 1 17 28 1 18 20 1 18 30 1 19 32 1 20 31 1 21 28 1 21 34 1 29 22 -2 34 22 -2 23 26 1 24 25 1 24 32 1 25 30 1 27 31 1 29 34 1 30 33 1 31 33 1 32 34 1', 'C28H42O4', 442.313, 'C', 'np98_258_2', 3961, '', '', '1', 47, NULL, NULL),
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