Mol:FLID3CNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1039    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.1564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.1648    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4333   -0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612   -1.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8548   -1.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -1.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    1.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9613    2.2919    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 
 14 18  1  0  0  0  0 
 12 17  1  0  0  0  0 
  6 19  1  0  0  0  0 
 13 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   -2.4612    1.4259 
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    0.8548    -1.358 
S  SKP  8 
ID	FLID3CNS0006 
KNApSAcK_ID	C00009999 
NAME	Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan 
CAS_RN	83013-80-3 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(OC)c(O)c2 
M  END