Mol:FLICALNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -1.4499    1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4499    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936    0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3373    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3373    1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936    2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2190    0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7753    1.0744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.7753    1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2190    2.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3314    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3314    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9262   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9262    1.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7372   -0.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9262   -0.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1158   -0.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210   -1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1140   -2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9280   -2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0060    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0060    0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5609   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5609   -0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1158    0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936    0.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8071    2.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3071    3.2015    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  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 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 20 14  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -1.8071    2.3355 
S  SKP  8 
ID	FLICALNI0001 
KNApSAcK_ID	C00009739 
NAME	Licoricidin;5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan 
CAS_RN	30508-27-1 
FORMULA	C26H32O5 
EXACTMASS	424.224974134 
AVERAGEMASS	424.52927999999997 
SMILES	C(C)(C)=CCc(c3OC)c(O)c(C1)c(c3)OCC(c(c2)c(c(c(c2)O)C=CC(C)C)O)1 
M  END