Mol:FLIBALNI0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.6288    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6288    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0725    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5162    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5162    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0725    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0401    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5964    0.4790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5964    1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0401    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1525    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1525   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7473   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3421   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3421    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7473    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0401   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1849    1.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0725   -0.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1849    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1849   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7398   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7398   -1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2935   -0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7473    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2081   -1.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0742   -1.5289    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  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 
  3 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
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 16 25  1  0  0  0  0 
 14 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  SVB   1 28     2.579   -0.7351 
S  SKP  8 
ID	FLIBALNI0007 
KNApSAcK_ID	C00009958 
NAME	Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone 
CAS_RN	88899-19-8 
FORMULA	C21H22O6 
EXACTMASS	370.141638436 
AVERAGEMASS	370.39578 
SMILES	C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)C2)=O)C=C(C)C 
M  END