Mol:FLIAAFNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.3617 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 -1.6763 0.0000 C 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 1 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 1.8461 -0.8826 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 2.2034 0.3535 S SKP 8 ID FLIAAFNS0001 KNApSAcK_ID C00009816 NAME Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone CAS_RN 53084-11-0 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c3)c(OC)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1 M END