Mol:FL3FGCNS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7918 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -0.6193 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 14 18 1 0 0 0 0 13 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 6 22 1 0 0 0 0 3 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 S SKP 8 ID FL3FGCNS0016 KNApSAcK_ID C00013336 NAME Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 99615-00-6 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)c(O)1 M END