Mol:FL3FECNSS008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
− | -1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2877 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2877 2.2752 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 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
− | M SBL 2 1 29 | + | M SBL 2 1 29 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 29 1.8668 1.3681 | + | M SVB 2 29 1.8668 1.3681 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
− | M SBL 1 1 27 | + | M SBL 1 1 27 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 27 -1.8668 -1.3868 | + | M SVB 1 27 -1.8668 -1.3868 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FECNSS008 | + | ID FL3FECNSS008 |
− | KNApSAcK_ID C00004411 | + | KNApSAcK_ID C00004411 |
− | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate | + | NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate |
− | CAS_RN 111509-46-7 | + | CAS_RN 111509-46-7 |
− | FORMULA C17H14O10S | + | FORMULA C17H14O10S |
− | EXACTMASS 410.030767358 | + | EXACTMASS 410.030767358 |
− | AVERAGEMASS 410.35306 | + | AVERAGEMASS 410.35306 |
− | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)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/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2877 2.2752 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 19 15 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 1.8668 1.3681 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.8668 -1.3868 S SKP 8 ID FL3FECNSS008 KNApSAcK_ID C00004411 NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate CAS_RN 111509-46-7 FORMULA C17H14O10S EXACTMASS 410.030767358 AVERAGEMASS 410.35306 SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O M END