Mol:FL3FECNSS006
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
− | -1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2221 2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2221 2.3146 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 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
− | M SBL 1 1 28 | + | M SBL 1 1 28 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 28 1.8012 1.4075 | + | M SVB 1 28 1.8012 1.4075 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FECNSS006 | + | ID FL3FECNSS006 |
− | KNApSAcK_ID C00004406 | + | KNApSAcK_ID C00004406 |
− | NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate | + | NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate |
− | CAS_RN 111509-43-4 | + | CAS_RN 111509-43-4 |
− | FORMULA C16H12O10S | + | FORMULA C16H12O10S |
− | EXACTMASS 396.015117294 | + | EXACTMASS 396.015117294 |
− | AVERAGEMASS 396.32648000000006 | + | AVERAGEMASS 396.32648000000006 |
− | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O |
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 29 0 0 0 0 0 0 0 0999 V2000 -1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 2.3146 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 2 19 1 0 0 0 0 1 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 20 22 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 1.8012 1.4075 S SKP 8 ID FL3FECNSS006 KNApSAcK_ID C00004406 NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate CAS_RN 111509-43-4 FORMULA C16H12O10S EXACTMASS 396.015117294 AVERAGEMASS 396.32648000000006 SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O M END