Mol:FL3FACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.8562 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 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 13 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL3FACNI0003 KNApSAcK_ID C00013419 NAME Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 129145-53-5 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES C(c(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)C=C(C)C M END