Mol:FLIAALNP0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.7245    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7245   -0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1682   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6119   -0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6119    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1682    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0556   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5007   -0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5007    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0556    0.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0568   -0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0568   -1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516   -1.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2463   -1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2463   -0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0556   -1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1682   -1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8405   -1.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4626   -1.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2608    0.6114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1682    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7117    1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2552    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5573    1.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8405    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 21  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
S  SKP  8 
ID	FLIAALNP0004 
KNApSAcK_ID	C00009499 
NAME	Parvisoflavone A 
CAS_RN	50277-01-5 
FORMULA	C20H16O6 
EXACTMASS	352.094688244 
AVERAGEMASS	352.33744 
SMILES	c(c13)(OC=C(c(c4)c(O)cc(O)c4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O 
M  END