Mol:FLID3CNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3353    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3353   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.4484    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.1272    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6356   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6356   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6605   -1.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2888   -1.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6925   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2888   -0.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790    1.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6925    1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1925    1.9999    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 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  6 21  1  0  0  0  0 
  1 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  22  23 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.6925    1.1339 
S  SKP  8 
ID	FLID3CNS0003 
KNApSAcK_ID	C00009624 
NAME	4-Hydroxypterocarpin 
CAS_RN	69626-65-9 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c5)c(O)c(O4)c(c5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)1 
M  END