Mol:FLIA2CNI0001

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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
    1.8142   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 18 19  1  0  0  0  0
 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

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