Mol:FL3FCANM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 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 -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 -2.5191 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.6360 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 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 -2.3202 0.77 S SKP 8 ID FL3FCANM0002 KNApSAcK_ID C00013597 NAME 8-Demethylsideroxylin;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one CAS_RN 80621-54-1 FORMULA C17H14O5 EXACTMASS 298.084123558 AVERAGEMASS 298.29006 SMILES COc(c1)c(C)c(O)c(C(=O)3)c1OC(=C3)c(c2)ccc(O)c2 M END