Mol:BMMCLA--q014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    3.2601    0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691   -0.0861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.5201   -0.3952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.2633    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6723    1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2601    0.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281   -1.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2143   -0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4 10  1  4  0  0  0 
  4  3  1  0  0  0  0 
 10  1  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  2  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  5 11  1  6  0  0  0 
  6 12  1  0  0  0  0 
S  SKP  7 
ID	BMMCLA--q014 
NAME	(2R) -2- (1,2-Dihydroxyethyl) -4-hydroxy-3-λ1-oxidanyl-2H-furan-5-one 
CAS_RN	490-83-5 
FORMULA	C6H8O6 
EXACTMASS	176.032 
AVERAGEMASS	176.1241 
SMILES	OC[C@H](O)C(O1)C(O)=C(O)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01041 
M  END