Mol:FL5FGCNS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2987 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2987 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2427 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2427 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7689 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7689 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3510 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3510 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4070 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4070 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8809 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8809 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8772 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8772 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4594 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4594 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5154 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5154 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9892 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9892 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8336 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8336 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0974 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0974 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6337 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6337 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2270 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2270 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2840 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2840 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7478 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7478 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1544 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1544 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0103 -0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0103 -0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7129 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7129 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.8296 -1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.8296 -1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -7.2592 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.2592 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.9220 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.9220 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7727 -2.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7727 -2.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2077 -2.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2077 -2.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7210 -3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7210 -3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5762 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5762 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1597 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1597 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -2.8186 -0.3996 | + | M SVB 2 29 -2.8186 -0.3996 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.2698 1.0455 | + | M SVB 1 27 -1.2698 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0021 | + | ID FL5FGCNS0021 |
| − | KNApSAcK_ID C00005063 | + | KNApSAcK_ID C00005063 |
| − | NAME Melinervin | + | NAME Melinervin |
| − | CAS_RN 52329-54-1 | + | CAS_RN 52329-54-1 |
| − | FORMULA C18H14O9 | + | FORMULA C18H14O9 |
| − | EXACTMASS 374.06378204600003 | + | EXACTMASS 374.06378204600003 |
| − | AVERAGEMASS 374.29836 | + | AVERAGEMASS 374.29836 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)O)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.2987 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8772 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8336 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0974 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0103 -0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8296 -1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2592 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 -2.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 -2.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 1 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -2.8186 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.2698 1.0455 S SKP 8 ID FL5FGCNS0021 KNApSAcK_ID C00005063 NAME Melinervin CAS_RN 52329-54-1 FORMULA C18H14O9 EXACTMASS 374.06378204600003 AVERAGEMASS 374.29836 SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)O)c1 M END
