Mol:FLIAAANI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4645 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 1.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 3 25 1 0 0 0 0 22 26 1 0 0 0 0 S SKP 8 ID FLIAAANI0008 KNApSAcK_ID C00009892 NAME Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone CAS_RN 104691-87-4 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES Oc(c1)ccc(C(=C3)C(=O)c(c2O)c(O3)cc(c(CC=C(CO)C)2)O)c1 M END