Mol:FL5FECNS0037
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2410 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2410 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1284 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1284 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5721 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5721 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5721 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5403 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1072 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6742 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1072 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5403 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5983 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0984 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0984 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3907 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8322 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8322 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9555 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9474 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9474 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8502 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8502 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7162 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7162 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6742 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6742 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6847 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -3.1349 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | M STY 1 6 SUP | + | M STY 1 6 SUP |
− | M SLB 1 6 6 | + | M SLB 1 6 6 |
− | M SAL 6 2 28 29 | + | M SAL 6 2 28 29 |
− | M SBL 6 1 30 | + | M SBL 6 1 30 |
− | M SMT 6 OCH3 | + | M SMT 6 OCH3 |
− | M SVB 6 30 -2.1212 -1.2954 | + | M SVB 6 30 -2.1212 -1.2954 |
− | M STY 1 5 SUP | + | M STY 1 5 SUP |
− | M SLB 1 5 5 | + | M SLB 1 5 5 |
− | M SAL 5 2 26 27 | + | M SAL 5 2 26 27 |
− | M SBL 5 1 28 | + | M SBL 5 1 28 |
− | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
− | M SVB 5 28 2.241 1.1317 | + | M SVB 5 28 2.241 1.1317 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
− | M SBL 4 1 26 | + | M SBL 4 1 26 |
− | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
− | M SVB 4 26 0.183 -1.0199 | + | M SVB 4 26 0.183 -1.0199 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
− | M SBL 3 1 24 | + | M SBL 3 1 24 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 24 -2.9555 -0.7222 | + | M SVB 3 24 -2.9555 -0.7222 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
− | M SBL 2 1 22 | + | M SBL 2 1 22 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 22 1.3907 1.7079 | + | M SVB 2 22 1.3907 1.7079 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
− | M SBL 1 1 20 | + | M SBL 1 1 20 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 20 -2.5983 0.4474 | + | M SVB 1 20 -2.5983 0.4474 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FECNS0037 | + | ID FL5FECNS0037 |
− | KNApSAcK_ID C00004713 | + | KNApSAcK_ID C00004713 |
− | NAME Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one | + | NAME Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one |
− | CAS_RN 1251-84-9 | + | CAS_RN 1251-84-9 |
− | FORMULA C21H22O8 | + | FORMULA C21H22O8 |
− | EXACTMASS 402.13146768 | + | EXACTMASS 402.13146768 |
− | AVERAGEMASS 402.39458 | + | AVERAGEMASS 402.39458 |
− | SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC | + | SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC |
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 31 0 0 0 0 0 0 0 0999 V2000 -2.2410 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9474 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -3.1349 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 3 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 28 29 M SBL 6 1 30 M SMT 6 OCH3 M SVB 6 30 -2.1212 -1.2954 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 26 27 M SBL 5 1 28 M SMT 5 OCH3 M SVB 5 28 2.241 1.1317 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 0.183 -1.0199 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.9555 -0.7222 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 1.3907 1.7079 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.5983 0.4474 S SKP 8 ID FL5FECNS0037 KNApSAcK_ID C00004713 NAME Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one CAS_RN 1251-84-9 FORMULA C21H22O8 EXACTMASS 402.13146768 AVERAGEMASS 402.39458 SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC M END