Mol:FLIABENI0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    2.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -0.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    2.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7872   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7872   -1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3814   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    1.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7878    0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7878    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0632    0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3488    0.3288    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 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 15 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  3 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -2.0632    0.7413 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    2.0247    0.0089 
S  SKP  8 
ID	FLIABENI0001 
KNApSAcK_ID	C00009879 
NAME	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone 
CAS_RN	132587-59-8 
FORMULA	C22H22O6 
EXACTMASS	382.141638436 
AVERAGEMASS	382.40648000000004 
SMILES	c(c1CC=C(C)C)c(C(C3=O)=COc(c32)cc(cc(OC)2)O)cc(c1OC)O 
M  END