Mol:FLID3CNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.0708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.2504    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6119   -0.7572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0118    2.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -1.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.5115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.3775    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 
 12 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.6398    1.5115 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.9253   -0.9637 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -1.4482     1.787 
S  SKP  8 
ID	FLID3CNS0008 
KNApSAcK_ID	C00010001 
NAME	Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan 
CAS_RN	101153-42-8 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c4OC)(OC)ccc(c41)C(O3)C(c(c23)ccc(c2O)OC)CO1 
M  END