Mol:BMMCBZ3Sd012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 9 9 0 0 0 0 0 0 0 0999 V2000 | + | 9 9 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 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 9 1 0 0 0 0 | + | 6 9 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 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ3Sd012 | + | ID BMMCBZ3Sd012 |
| − | NAME 2,6-Dichloro-phenol | + | NAME 2,6-Dichloro-phenol |
| − | FORMULA C6H4Cl2O | + | FORMULA C6H4Cl2O |
| − | EXACTMASS 161.9639 | + | EXACTMASS 161.9639 |
| − | AVERAGEMASS 163.0007 | + | AVERAGEMASS 163.0007 |
| − | SMILES Oc(c(Cl)1)c(Cl)ccc1 | + | SMILES Oc(c(Cl)1)c(Cl)ccc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07096 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07096 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 0 0 0 0 0 0999 V2000
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 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 9 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
3 4 2 0 0 0 0
S SKP 7
ID BMMCBZ3Sd012
NAME 2,6-Dichloro-phenol
FORMULA C6H4Cl2O
EXACTMASS 161.9639
AVERAGEMASS 163.0007
SMILES Oc(c(Cl)1)c(Cl)ccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07096
M END
