Mol:FL5FCFGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 1.7862 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.1118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.7871 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 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 21 23 1 0 0 0 0 18 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 2 0 0 0 0 25 19 1 0 0 0 0 22 29 1 0 0 0 0 S SKP 8 ID FL5FCFGSS001 KNApSAcK_ID C00013938 NAME Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one CAS_RN 221662-11-9 FORMULA C18H16O10S EXACTMASS 424.046417422 AVERAGEMASS 424.37964 SMILES c(c12)(O)cc(OC)cc(OC(c(c3)cc(OC)c(OC)c3)=C(OS(O)(=O)=O)C2=O)1 M END