Mol:FL5FEANS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.2410 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 1.0418 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 15 23 1 0 0 0 0 23 24 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 SBV 1 23 -7.5714 3.7696 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 SBV 2 25 -6.2901 4.0054 S SKP 8 ID FL5FEANS0012 KNApSAcK_ID C00004600 NAME Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 35214-88-1 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1 M END