Mol:FLIA1LNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3617 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 -0.7535 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 19 14 1 0 0 0 0 12 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -4.4859 4.3555 S SKP 8 ID FLIA1LNI0004 KNApSAcK_ID C00009872 NAME Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone CAS_RN 111922-23-7 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c1CC=C(C)C)c(O)cc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)O M END