Mol:FLIFHXNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.2825    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0573    0.8072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6883   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988    1.1283    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    0.4987    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -2.6398     1.426 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    1.9253   -1.0492 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    0.6762   -1.3579 
S  SKP  8 
ID	FLIFHXNS0003 
KNApSAcK_ID	C00009975 
NAME	Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone 
CAS_RN	125164-60-5 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c4OC)(OC)cc(c(c4)1)OC(C(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1)O 
M  END