Mol:BMMCBZ4Sd001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 10 0 0 0 0 0 0 0 0999 V2000 | + | 10 10 0 0 0 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 | + | 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 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 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 -1.0000 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 -0.5000 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 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 | + | 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 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ4Sd001 | + | ID BMMCBZ4Sd001 |
| − | NAME 2,4,6-Trichloro-phenol | + | NAME 2,4,6-Trichloro-phenol |
| − | FORMULA C6H3Cl3O | + | FORMULA C6H3Cl3O |
| − | EXACTMASS 195.9249 | + | EXACTMASS 195.9249 |
| − | AVERAGEMASS 197.4455 | + | AVERAGEMASS 197.4455 |
| − | SMILES Oc(c(Cl)1)c(Cl)cc(Cl)c1 | + | SMILES Oc(c(Cl)1)c(Cl)cc(Cl)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07098 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07098 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 0 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 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
4.5981 -0.5000 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
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 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 2 0 0 0 0
1 7 1 0 0 0 0
6 5 2 0 0 0 0
6 10 1 0 0 0 0
2 3 1 0 0 0 0
2 8 1 0 0 0 0
5 4 1 0 0 0 0
4 9 1 0 0 0 0
3 4 2 0 0 0 0
S SKP 7
ID BMMCBZ4Sd001
NAME 2,4,6-Trichloro-phenol
FORMULA C6H3Cl3O
EXACTMASS 195.9249
AVERAGEMASS 197.4455
SMILES Oc(c(Cl)1)c(Cl)cc(Cl)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07098
M END
