Mol:FL5FGCNS0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 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 |
| − | -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 |
| − | -5.2786 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2786 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0977 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0977 0.2240 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 |
| − | -1.9967 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9967 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5739 -3.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5739 -3.3108 0.0000 C 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 28 29 | + | M SAL 4 2 28 29 |
| − | M SBL 4 1 31 | + | M SBL 4 1 31 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 31 -1.2698 1.0455 | + | M SVB 4 31 -1.2698 1.0455 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -2.4614 0.77 | + | M SVB 3 29 -2.4614 0.77 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -2.8186 -0.3996 | + | M SVB 2 27 -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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 0.3314 -0.6761 | + | M SVB 1 25 0.3314 -0.6761 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0023 | + | ID FL5FGCNS0023 |
| − | KNApSAcK_ID C00005065 | + | KNApSAcK_ID C00005065 |
| − | NAME 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone;5-Demethylmelibentin;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone;5-Demethylmelibentin;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 5071-28-3 | + | CAS_RN 5071-28-3 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(c(c(c(OC)3)OC)OC)O)=O)OC)O1 | + | SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(c(c(c(OC)3)OC)OC)O)=O)OC)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 32 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 -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 -5.2786 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0977 0.2240 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 -1.9967 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -3.3108 0.0000 C 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 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 28 29 M SBL 4 1 31 M SMT 4 OCH3 M SVB 4 31 -1.2698 1.0455 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -2.4614 0.77 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 -2.8186 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 0.3314 -0.6761 S SKP 8 ID FL5FGCNS0023 KNApSAcK_ID C00005065 NAME 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone;5-Demethylmelibentin;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one CAS_RN 5071-28-3 FORMULA C20H18O9 EXACTMASS 402.095082174 AVERAGEMASS 402.35152 SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(c(c(c(OC)3)OC)OC)O)=O)OC)O1 M END
