Mol:Capsaicin

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Capsaicin.png

 
  ACD/Labs12010713272D 
 
 22 22  0  0  0  0  0  0  0  0  1 V2000 
   23.5055   -5.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.5055   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3536   -4.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3536   -7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2018   -5.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2018   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0500   -4.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0500   -7.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6573   -4.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8091   -5.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9609   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1127   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9609   -3.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2645   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4164   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5682   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7200   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.8718   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0236   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1755   -4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0236   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8982   -5.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 20 19  1  0  0  0  0 
 21 19  1  0  0  0  0 
 18 19  1  0  0  0  0 
  7 22  1  0  0  0  0 
S  SKP  5 
ID	Capsaicin 
FORMULA	C18H27NO3 
EXACTMASS	305.199093735 
AVERAGEMASS	305.41192 
SMILES	CC(C)C=CCCCCC(=O)NCc(c1)cc(OC)c(O)c1 
M  END
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