Mol:FLID3GNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.2825    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.1218    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.1994    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4988   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6078   -0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2825    0.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1398    2.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6762   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28   -1.4482    1.7359 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    0.6762   -1.3234 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.9253   -1.0148 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.6398    1.4605 
S  SKP  8 
ID	FLID3GNS0001 
KNApSAcK_ID	C00009635 
NAME	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan 
CAS_RN	76474-67-4 
FORMULA	C19H20O7 
EXACTMASS	360.120902994 
AVERAGEMASS	360.3579 
SMILES	c(c4OC)(OC)ccc(c41)C(O2)C(c(c3)c2c(c(c3O)OC)OC)CO1 
M  END