Mol:BMMCBZ2Pd006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 14 0 0 1 0 0 0 0 0999 V2000 | + | 14 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 14 1 0 0 0 0 | + | 7 14 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 2 4 1 4 0 0 0 | + | 2 4 1 4 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 1 10 2 0 0 0 0 | + | 1 10 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pd006 | + | ID BMMCBZ2Pd006 |
| − | NAME 2-(4'-Chlorophenyl)-3,3-dichloro-propenoic acid | + | NAME 2-(4'-Chlorophenyl)-3,3-dichloro-propenoic acid |
| − | FORMULA C9H7Cl3O2 | + | FORMULA C9H7Cl3O2 |
| − | EXACTMASS 251.9511 | + | EXACTMASS 251.9511 |
| − | AVERAGEMASS 253.5087 | + | AVERAGEMASS 253.5087 |
| − | SMILES OC(=O)C(c(c1)ccc(Cl)c1)C(Cl)Cl | + | SMILES OC(=O)C(c(c1)ccc(Cl)c1)C(Cl)Cl |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06646 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06646 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7 14 1 0 0 0 0
6 7 2 0 0 0 0
2 4 1 4 0 0 0
7 8 1 0 0 0 0
2 1 1 0 0 0 0
8 9 2 0 0 0 0
1 11 1 0 0 0 0
9 4 1 0 0 0 0
1 10 2 0 0 0 0
4 5 2 0 0 0 0
2 3 1 0 0 0 0
5 6 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pd006
NAME 2-(4'-Chlorophenyl)-3,3-dichloro-propenoic acid
FORMULA C9H7Cl3O2
EXACTMASS 251.9511
AVERAGEMASS 253.5087
SMILES OC(=O)C(c(c1)ccc(Cl)c1)C(Cl)Cl
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06646
M END
