Mol:FL3FG9NS0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5006 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5006 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FG9NS0005 | + | ID FL3FG9NS0005 |
− | KNApSAcK_ID C00013300 | + | KNApSAcK_ID C00013300 |
− | NAME 5,7-Dihydroxy-6,8-dimethoxyflavone | + | NAME 5,7-Dihydroxy-6,8-dimethoxyflavone |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
− | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
− | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
− | SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(OC)1 | + | SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)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/ 23 25 0 0 0 0 0 0 0 0999 V2000 -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 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 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 6 18 1 0 0 0 0 4 19 1 0 0 0 0 3 20 1 0 0 0 0 5 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 S SKP 8 ID FL3FG9NS0005 KNApSAcK_ID C00013300 NAME 5,7-Dihydroxy-6,8-dimethoxyflavone CAS_RN - FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(OC)1 M END