Mol:FL5FEANS0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8838 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -0.3073 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 15 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 2 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 -2.5983 -0.4342 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 -1.7639 -1.0073 S SKP 8 ID FL5FEANS0010 KNApSAcK_ID C00004598 NAME 6-Hydroxykaempferol 5,6-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one CAS_RN 87339-62-6 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)3)c(OC)c(C(=O)1)c(c3)OC(c(c2)ccc(O)c2)=C(O)1 M END
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