Mol:BMMCBZ1Sk054

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  7  1  1  0  0  0  0 
  7  9  1  4  0  0  0 
  7  8  1  0  0  0  0 
  9 12  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Sk054 
NAME	Tropic acid 
FORMULA	C9H10O3 
EXACTMASS	166.0629 
AVERAGEMASS	166.1739 
SMILES	OCC(C(O)=O)c(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01456 
M  END