Mol:FLIAALNI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -1.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -1.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    0.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -1.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9646    0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9646    1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5564    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3728    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0623   -1.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -1.7139    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 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16 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 
 12 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  29 
M  SMT   1 ^OCH3 
M  SBV   1 29   -6.9636    4.4119 
S  SKP  8 
ID	FLIAALNI0005 
KNApSAcK_ID	C00009511 
NAME	Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone 
CAS_RN	11025-91-5 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	c(O)(c1CC=C(C)C)c(O)cc(c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)OC 
M  END