Mol:FLIFWYNS0005

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FLIFWYNS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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    1.3781   -0.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5607    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4481   -1.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5607   -2.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0785    0.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3641    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3641    2.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6496    0.7783    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  2  0  0  0  0 
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  2 22  1  0  0  0  0 
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 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 25 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  4  24  25  26  27 
M  SBL   1  1  27 
M  SMT   1 ^OCOCH3 
M  SBV   1 27   -4.6793    3.9017 
S  SKP  8 
ID	FLIFWYNS0005 
KNApSAcK_ID	C00009988 
NAME	Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone 
CAS_RN	128486-16-8 
FORMULA	C18H12O9 
EXACTMASS	372.048131982 
AVERAGEMASS	372.28247999999996 
SMILES	O(c12)C(C(O3)=C(C(c(c4O)c3cc(c4O)O)=O)c1ccc(O)c2)OC(C)=O 
M  END
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