Mol:FLIA1AGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 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 -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 -1.4797 -0.1313 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 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 23 11 1 0 0 0 0 22 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 ^CH2OH M SBV 1 32 -6.0313 4.3892 S SKP 8 ID FLIA1AGS0001 KNApSAcK_ID C00002518 NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside CAS_RN 552-66-9 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 M END