Mol:FLIBAENI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    1.2220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.0421    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    2.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7872   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3820    1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7872   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3802   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1942   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7878    0.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7878    0.2142    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  6  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 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 13 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    2.0247    0.0079 
S  SKP  8 
ID	FLIBAENI0001 
KNApSAcK_ID	C00009963 
NAME	3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone 
CAS_RN	123828-67-1 
FORMULA	C21H22O6 
EXACTMASS	370.141638436 
AVERAGEMASS	370.39578 
SMILES	COc(c(O)3)c(cc(c3)[C@H](C(=O)1)COc(c2)c1c(cc(O)2)O)CC=C(C)C 
M  END