Mol:BMMCACCHp009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  1  0  0  0  0 
  6  5  1  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 
  2  1  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  8  2  0  0  0  0 
  3  9  1  6  0  0  0 
  5 11  1  6  0  0  0 
  4 10  1  1  0  0  0 
S  SKP  7 
ID	BMMCACCHp009 
NAME	(3R,4S,5R) -3,4,5-Trihydroxycyclohexane-1,2-dione 
CAS_RN	949461-91-0 
FORMULA	C6H8O5 
EXACTMASS	160.0371 
AVERAGEMASS	160.1247 
SMILES	O[C@@H](C1)[C@@H](O)[C@H](O)C(=O)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04287 
M  END