Mol:BMMCBZ4Sd007
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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 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 |
| − | 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 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ4Sd007 | + | ID BMMCBZ4Sd007 |
| − | NAME 6-Chloro-benzene-1,2,4-triol | + | NAME 6-Chloro-benzene-1,2,4-triol |
| − | FORMULA C6H5ClO3 | + | FORMULA C6H5ClO3 |
| − | EXACTMASS 159.9927 | + | EXACTMASS 159.9927 |
| − | AVERAGEMASS 160.5548 | + | AVERAGEMASS 160.5548 |
| − | SMILES Oc(c1)cc(Cl)c(O)c(O)1 | + | SMILES Oc(c1)cc(Cl)c(O)c(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06328 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06328 |
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
4.5981 0.0000 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
3.7321 -1.5000 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 -0.0000 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
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
6 5 2 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
4 3 2 0 0 0 0
6 10 1 0 0 0 0
S SKP 7
ID BMMCBZ4Sd007
NAME 6-Chloro-benzene-1,2,4-triol
FORMULA C6H5ClO3
EXACTMASS 159.9927
AVERAGEMASS 160.5548
SMILES Oc(c1)cc(Cl)c(O)c(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06328
M END
