Mol:BMCCBR--p002

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BMCCBR--p002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 12  0  0  1  0  0  0  0  0999 V2000 
    3.5000    0.8364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.1910   -0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8090   -0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5000    0.8364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.0000    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7601   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  1  6  0  0  0 
  5  6  1  6  0  0  0 
  5  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4 11  2  0  0  0  0 
  1  7  1  1  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  3 10  2  0  0  0  0 
S  SKP  7 
ID	BMCCBR--p002 
NAME	(+)-Sabinone 
FORMULA	C10H14O 
EXACTMASS	150.1044 
AVERAGEMASS	150.2175 
SMILES	CC(C)[C@](C2)(C1)[C@@H](C(=C)C(=O)2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01868 
M  END
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