Mol:BMMCACDEq010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 25  0  0  1  0  0  0  0  0999 V2000 
    4.5981    4.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1 24  1  4  0  0  0 
  4 25  1  4  0  0  0 
  6 23  1  0  0  0  0 
  5 22  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  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 
 12 13  2  0  0  0  0 
  9 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 21  1  0  0  0  0 
 17 18  1  0  0  0  0 
S  SKP  7 
ID	BMMCACDEq010 
NAME	2,3-Dimethyl-5- (3-methylbut-2-enyl) benzene-1,4-diol 
CAS_RN	58700-70-2 
FORMULA	C23H36O2 
EXACTMASS	344.2715 
AVERAGEMASS	344.5307 
SMILES	C(=C1CC=C(CCC=C(C)CCC=C(C)C)C)C(C(C)=C(C1O)C)O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02185 
M  END