Mol:BMFYS7DAd005
From Metabolomics.JP
(Difference between revisions)
| Line 24: | Line 24: | ||
2 1 1 0 0 0 0 | 2 1 1 0 0 0 0 | ||
3 7 1 0 0 0 0 | 3 7 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 8 |
| + | AUTODRAW false | ||
ID BMFYS7DAd005 | ID BMFYS7DAd005 | ||
NAME 3-Chloro-cis,cis-muconic acid | NAME 3-Chloro-cis,cis-muconic acid | ||
Latest revision as of 16:00, 27 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0 1 V2000
20.8121 -10.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1471 -8.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4821 -10.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4821 -13.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8171 -14.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1520 -13.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8171 -8.8272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
23.4772 -8.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.8121 -13.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1520 -10.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4870 -14.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
6 10 1 0 0 0 0
6 11 2 0 0 0 0
5 6 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 9 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 7 1 0 0 0 0
S SKP 8
AUTODRAW false
ID BMFYS7DAd005
NAME 3-Chloro-cis,cis-muconic acid
FORMULA C6H5ClO4
EXACTMASS 175.9876
AVERAGEMASS 176.5542
SMILES OC(=O)C=CC(Cl)=CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03585
M END
