Mol:BMMCACCHq013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.1160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.5981    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0981   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.5981   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5981    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5 13  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 14  1  4  0  0  0 
  9 10  1  0  0  0  0 
  6 15  1  4  0  0  0 
  3 16  2  0  0  0  0 
S  SKP  7 
ID	BMMCACCHq013 
NAME	4-Hydroxy-4- [(E) -3-hydroxybut-1-enyl] -3,5,5-trimethylcyclohex-2-en-1-one 
CAS_RN	1021481-41-3 
FORMULA	C13H20O3 
EXACTMASS	224.1412 
AVERAGEMASS	224.296 
SMILES	CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04166 
M  END