Mol:FL5FECNS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6808 -1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6808 -1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2605 -3.4885 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 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 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.5403 -1.0246 | + | M SVB 2 26 0.5403 -1.0246 |
| − | 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.5983 -0.7269 | + | M SVB 1 24 -2.5983 -0.7269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0009 | + | ID FL5FECNS0009 |
| − | KNApSAcK_ID C00004684 | + | KNApSAcK_ID C00004684 |
| − | NAME Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one | + | NAME Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 5188-73-8 | + | CAS_RN 5188-73-8 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(OC)1 | + | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(OC)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 -3.4885 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 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 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 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 0.5403 -1.0246 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.5983 -0.7269 S SKP 8 ID FL5FECNS0009 KNApSAcK_ID C00004684 NAME Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one CAS_RN 5188-73-8 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(OC)1 M END
