Mol:FLIDCANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 24  0  0  0  0  0  0  0  0999 V2000 
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   -2.1039    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.2761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4333   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9612    2.1722    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 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  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  SVB   1 23   -2.4612    1.3062 
S  SKP  8 
ID	FLIDCANS0001 
KNApSAcK_ID	C00009995 
NAME	Desmocarpin;1,9-Dihydroxy-3-methoxypterocarpan 
CAS_RN	92358-41-3 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c4)cc(O3)c(c(O)4)C(O1)C(C3)c(c2)c(cc(O)c2)1 
M  END