Mol:FLID3CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.1053    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.2159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6119   -0.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1398    2.3430    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 
  6 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 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   -2.6398     1.477 
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    1.9253   -0.9983 
S  SKP  8 
ID	FLID3CNS0005 
KNApSAcK_ID	C00009998 
NAME	Melilotocarpan D;4,10-Dihydroxy-3,9-dimethoxypterocarpan 
CAS_RN	83013-81-4 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(O)c(OC)c2 
M  END