Mol:BMMCACCHp009
From Metabolomics.JP
(Difference between revisions)
| Line 27: | Line 27: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCACCHp009 | ID BMMCACCHp009 | ||
| − | NAME 3, | + | NAME (3R,4S,5R) -3,4,5-Trihydroxycyclohexane-1,2-dione |
| + | CAS_RN 949461-91-0 | ||
FORMULA C6H8O5 | FORMULA C6H8O5 | ||
EXACTMASS 160.0371 | EXACTMASS 160.0371 | ||
Latest revision as of 15:16, 17 June 2010
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
