Mol:BMMCACDEk001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    3.7321    0.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -0.3660    0.0000 C   0  0  3  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 
    3.7321   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2321    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2321    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1 11  1  4  0  0  0 
  2  3  1  0  0  0  0 
  2 12  1  4  0  0  0 
  3  4  2  0  0  0  0 
  3  8  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  5  6  2  0  0  0  0 
  7 10  1  0  0  0  0 
  6  1  1  0  0  0  0 
  7  9  2  0  0  0  0 
S  SKP  7 
ID	BMMCACDEk001 
NAME	1,2-Dihydroxy-3-methyl-cyclohexa-3,5-diene-1-carboxylic acid 
FORMULA	C8H10O4 
EXACTMASS	170.0579 
AVERAGEMASS	170.1626 
SMILES	CC(=C1)C(O)C(O)(C=C1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06720 
M  END