Mol:FLIAACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4645 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 0.5632 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 15 26 1 0 0 0 0 S SKP 8 ID FLIAACNI0003 KNApSAcK_ID C00009890 NAME 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone CAS_RN 66777-71-7 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)cc(c(O)c3)O)=C2)=O)C=C(C)C M END