Mol:BMSUM6Nf--01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    4.7321    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.8660    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.7321   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5981   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 16  6  1  0  0  0  0 
  5 15  1  6  0  0  0 
 15  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  7  1  4  0  0  0 
  2  8  1  1  0  0  0 
  3 13  1  6  0  0  0 
  4 14  1  1  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6Nf--01 
NAME	N-Sulfo-D-glucosamine 
FORMULA	C6H13NO8S 
EXACTMASS	259.0361 
AVERAGEMASS	259.2353 
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](C(O)1)NS(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01075 
M  END