Mol:FLID1CNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 26  0  0  0  0  0  0  0  0999 V2000 
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   -0.1101    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4460   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6356   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0408    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2682   -1.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6925   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2888   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.1924    2.1723    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 
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  1  2  1  0  0  0  0 
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 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.6925    1.3062 
S  SKP  8 
ID	FLID1CNS0004 
KNApSAcK_ID	C00009616 
NAME	Pterocarpin;3-Methoxy-8,9-methylenedioxypterocarpan 
CAS_RN	524-97-0 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	COc(c5)cc(O4)c(c5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)1 
M  END