Mol:BMAXS3AKq001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    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 
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.2500    0.0000 C   0  0  1  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 
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3660   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3660   -2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  6 14  1  6  0  0  0 
  7  8  1  0  0  0  0 
  8 15  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  5 13  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 12  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMAXS3AKq001 
NAME	(R)-Pantothenic acid 
FORMULA	C9H17NO5 
EXACTMASS	219.1106 
AVERAGEMASS	219.235 
SMILES	OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00864 
M  END