Mol:FL5FECGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 2.4029 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4029 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4029 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2464 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -0.3529 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 19 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 2 0 0 0 0 S SKP 8 ID FL5FECGSS001 KNApSAcK_ID C00013955 NAME Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one CAS_RN 737749-32-5 FORMULA C17H14O11S EXACTMASS 426.02568198 AVERAGEMASS 426.35246000000006 SMILES COC(C(=O)2)=C(Oc(c3)c2c(O)c(OC)c(OS(O)(=O)=O)3)c(c1)cc(O)c(O)c1 M END