Mol:FLID3CNS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.1564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.1648    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6119   -0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6883   -0.8430    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 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 14 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    1.9253   -1.0493 
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   -2.6398    1.4259 
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    0.6762    -1.358 
S  SKP  8 
ID	FLID3CNS0007 
KNApSAcK_ID	C00010000 
NAME	Melilotocarpan C;4-Hydroxy-3,9,10-trimethoxypterocarpan 
CAS_RN	83013-82-5 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c4OC)(OC)ccc(c34)C(C(O3)1)COc(c(O)2)c1ccc2OC 
M  END