Mol:FLIA2CNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
   -2.1566   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1566   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0440   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0440   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0686   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0686   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877    0.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6247   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6247   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194   -2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8142   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877   -1.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4674   -1.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8711   -1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4674   -0.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7127    0.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1564    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1564    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7125    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8711   -0.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1566   -1.0904    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 
 14 18  1  0  0  0  0 
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 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  1 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1 ^OCH3 
M  SBV   1 30   -5.8576    4.5845 
S  SKP  8 
ID	FLIA2CNI0001 
KNApSAcK_ID	C00009911 
NAME	Predurmillone;7-Hydroxy-6-methoxy-3',4'-methylenedioxy-8-prenylisoflavone 
CAS_RN	130286-69-0 
FORMULA	C22H20O6 
EXACTMASS	380.125988372 
AVERAGEMASS	380.3906 
SMILES	C(C)(C)=CCc(c(O)4)c(c1cc4OC)OC=C(c(c3)cc(O2)c(c3)OC2)C1=O 
M  END