Mol:FLIAAAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 0.9521 0.0000 O 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 24 11 1 0 0 0 0 23 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -6.0313 4.3892 S SKP 8 ID FLIAAAGS0001 KNApSAcK_ID C00002528 NAME Genistein 7-O-glucoside;Genistin;Genistoside CAS_RN 529-59-9 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c1)ccc(C(C(=O)2)=COc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C4CO)3)O)c1 M END