Mol:FL5FG9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6096 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6096 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9769 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9769 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7572 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7572 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1701 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1701 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8028 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8028 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0225 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0225 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9504 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9504 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3633 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3633 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9960 1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9960 1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2157 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2157 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4572 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4572 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4087 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4087 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1848 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1848 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6056 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6056 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2503 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2503 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4743 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4743 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0534 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0534 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1438 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1438 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8291 -1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8291 -1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1249 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1249 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0684 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0684 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6351 -0.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6351 -0.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5969 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5969 0.0214 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -0.766 1.0455 | + | M SVB 2 25 -0.766 1.0455 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.3149 -0.3996 | + | M SVB 1 23 -2.3149 -0.3996 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FG9NS0001 | + | ID FL5FG9NS0001 |
| − | KNApSAcK_ID C00004585 | + | KNApSAcK_ID C00004585 |
| − | NAME 3,5,7-Trihydroxy-6,8-dimethoxyflavone;3,5,7-Trihydroxy-6,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME 3,5,7-Trihydroxy-6,8-dimethoxyflavone;3,5,7-Trihydroxy-6,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 33183-51-6 | + | CAS_RN 33183-51-6 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(O)2)c(OC)1 | + | SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(O)2)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/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.6096 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8291 -1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 -0.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 0.0214 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -0.766 1.0455 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.3149 -0.3996 S SKP 8 ID FL5FG9NS0001 KNApSAcK_ID C00004585 NAME 3,5,7-Trihydroxy-6,8-dimethoxyflavone;3,5,7-Trihydroxy-6,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 33183-51-6 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(O)2)c(OC)1 M END
