Mol:BMMCACENp008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    4.5981    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.3660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.0981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5981   -1.3660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.0981   -2.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981    2.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5981   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  3  1  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  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  5 13  1  0  0  0  0 
  6  7  1  6  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  6  0  0  0 
  9 16  1  0  0  0  0 
  3 14  2  0  0  0  0 
  6 15  1  1  0  0  0 
S  SKP  7 
ID	BMMCACENp008 
NAME	Vomifoliol 
FORMULA	C13H20O3 
EXACTMASS	224.1412 
AVERAGEMASS	224.296 
SMILES	C[C@@H](O)C=C[C@@](O)(C(C)=1)C(C)(C)CC(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01760 
M  END