Mol:BMMCACCHk005
From Metabolomics.JP
(Difference between revisions)
| Line 27: | Line 27: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCACCHk005 | ID BMMCACCHk005 | ||
| − | NAME (1S,3R,4S)-3,4- | + | NAME (1S,3R,4S) -3,4-Dihydroxycyclohexane-1-carboxylic acid |
| + | CAS_RN 333364-12-8 | ||
FORMULA C7H12O4 | FORMULA C7H12O4 | ||
EXACTMASS 160.0735 | EXACTMASS 160.0735 | ||
Latest revision as of 15:14, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
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 -1.0000 0.0000 C 0 0 2 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
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 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
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 6 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
1 2 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
1 7 1 0 0 0 0
3 10 1 1 0 0 0
4 11 1 1 0 0 0
S SKP 7
ID BMMCACCHk005
NAME (1S,3R,4S) -3,4-Dihydroxycyclohexane-1-carboxylic acid
CAS_RN 333364-12-8
FORMULA C7H12O4
EXACTMASS 160.0735
AVERAGEMASS 160.1677
SMILES OC(=O)[C@@H](C1)C[C@@H](O)[C@@H](O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04687
M END
