Mol:FLIDHXNS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
   -2.1566    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1566    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0440    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0440    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6003    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4877   -0.2761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0686    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0686    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6247   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6247   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8142   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8142   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4674   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8711   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4674   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8444    0.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2122   -0.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5139    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0139    2.1722    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 
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  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -2.5139    1.3062 
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   -2.8711    0.1365 
S  SKP  8 
ID	FLIDHXNS0012 
KNApSAcK_ID	C00009681 
NAME	Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan 
CAS_RN	83159-18-6 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c5OC)(OC)cc(c(c5)1)OCC(c42)(C(Oc(cc(c(c4)3)OCO3)2)1)O 
M  END