Mol:FL5FFANS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.9451 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 15 20 1 0 0 0 0 8 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 -1.1286 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 0.4611 -0.6973 S SKP 8 ID FL5FFANS0008 KNApSAcK_ID C00004615 NAME Herbacetin 3,8-dimethyl ether;5,7,4'-Trihydroxy-3,8-dimethoxyflavone;3,8-Dimethylherbacetin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 14965-09-4 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(OC)=C(c(c2)ccc(O)c2)1 M END
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