Mol:FLIA9ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 19 21 0 0 0 0 0 0 0 0999 V2000 -2.2825 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 1.4785 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 14 18 1 0 0 0 0 6 19 1 0 0 0 0 S SKP 8 ID FLIA9ANS0002 KNApSAcK_ID C00009845 NAME 8,4'-Dihydroxyisoflavone CAS_RN 118024-87-6 FORMULA C15H10O4 EXACTMASS 254.05790880799998 AVERAGEMASS 254.2375 SMILES Oc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)cc1 M END