Mol:BMFYS7DAq002
From Metabolomics.JP
(Difference between revisions)
| Line 29: | Line 29: | ||
ID BMFYS7DAq002 | ID BMFYS7DAq002 | ||
NAME 2-Hydroxyhepta-2,4-dienedioic acid | NAME 2-Hydroxyhepta-2,4-dienedioic acid | ||
| + | CAS_RN 219488-80-9 | ||
FORMULA C7H8O5 | FORMULA C7H8O5 | ||
EXACTMASS 172.0371 | EXACTMASS 172.0371 | ||
Revision as of 14:06, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 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
3.7321 0.0000 0.0000 C 0 0 0 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
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 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 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
7 8 2 0 0 0 0
4 5 2 0 0 0 0
7 9 1 0 0 0 0
2 1 1 0 0 0 0
5 6 1 0 0 0 0
2 10 1 0 0 0 0
6 7 1 0 0 0 0
1 11 2 0 0 0 0
3 2 2 0 0 0 0
1 12 1 0 0 0 0
S SKP 7
ID BMFYS7DAq002
NAME 2-Hydroxyhepta-2,4-dienedioic acid
CAS_RN 219488-80-9
FORMULA C7H8O5
EXACTMASS 172.0371
AVERAGEMASS 172.1354
SMILES OC(=O)CC=CC=C(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05600
M END
