Mol:BMFYS7DAd005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 10 0 0 0 0 0 0 0 0 1 V2000 | + | 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 | + | 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 | + | 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 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 5 4 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 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 |
| − | ID BMFYS7DAd005 | + | AUTODRAW false |
| − | NAME 3-Chloro-cis,cis-muconic acid | + | ID BMFYS7DAd005 |
| − | FORMULA C6H5ClO4 | + | NAME 3-Chloro-cis,cis-muconic acid |
| − | EXACTMASS 175.9876 | + | FORMULA C6H5ClO4 |
| − | AVERAGEMASS 176.5542 | + | EXACTMASS 175.9876 |
| − | SMILES OC(=O)C=CC(Cl)=CC(O)=O | + | AVERAGEMASS 176.5542 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03585 | + | SMILES OC(=O)C=CC(Cl)=CC(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03585 | ||
M END | M END | ||
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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
