Mol:FLID1LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.0044    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0044    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4481    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8918    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8918    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4481    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3355    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2208    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2208    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3355    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7769    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7769   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3717   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9665   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9665    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3717    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3296   -0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5607    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5607   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9543   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6688   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6688    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3833    0.6797    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  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 18  1  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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  SBV   1 23   -6.3570    4.6280 
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  SBV   2 25   -5.6425    5.3835 
S  SKP  8 
ID	FLID1LNS0001 
KNApSAcK_ID	C00009626 
NAME	Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan 
CAS_RN	22356-04-3 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c1)c(C32)c(OC(c(c4)c(cc(O)c4)OC3)2)c(OC)c(O)1 
M  END