Mol:FLID2LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9366    0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0481    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5561   -0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9524    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8409    0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3330    1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4604   -0.2819    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1433   -0.0622    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2548    0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2373    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6351   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5159   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0420   -1.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6874   -1.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8067   -0.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2805   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5779   -0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4363    1.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3997    0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7359    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4535   -2.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2195   -2.6435    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  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 
  7 17  1  0  0  0  0 
 18  1  1  0  0  0  0 
 12 17  1  0  0  0  0 
 16 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.1039    -0.885 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.8184    0.4205 
S  SKP  8 
ID	FLID2LNS0001 
KNApSAcK_ID	C00009996 
NAME	Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan 
CAS_RN	89647-64-3 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c4)cc(O1)c(c(O)4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 
M  END