Mol:13,16-Cycloabietane

 
 
Copyright: ARM project http://www.metabolomics.jp/ 
 20 23  0  0  0  0  0  0  0  0999 V2000 
   -0.3572   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3737   -2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1987   -2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  3  4  1  0 
  4  5  1  0 
  5  6  1  0 
  6  7  1  0 
  7  2  1  0 
  7  8  1  0 
  3  9  1  6 
  3 10  1  1 
  8 11  1  0 
 11 12  1  0 
 12  1  1  0 
  8 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 15 17  1  0 
 17 18  1  0 
  7 19  1  1 
 16 11  1  0 
 15 20  1  0 
 20 17  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	13,16-Cycloabietane 
FORMULA	C20H34 
EXACTMASS	274.266051088 
AVERAGEMASS	274.48396 
SMILES	CC(C)(C4)C(C3)C(C)(CC4)C(C2)C(C3)CC(C2)(C1)C(C)1 
M  END