Mol:BMMCBZ2Pk037
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 |
| − | 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pk037 | + | ID BMMCBZ2Pk037 |
| − | NAME 4-Methyl-benzoic acid | + | NAME 4-Methyl-benzoic acid |
| − | FORMULA C8H8O2 | + | FORMULA C8H8O2 |
| − | EXACTMASS 136.0524 | + | EXACTMASS 136.0524 |
| − | AVERAGEMASS 136.1479 | + | AVERAGEMASS 136.1479 |
| − | SMILES Cc(c1)ccc(c1)C(O)=O | + | SMILES Cc(c1)ccc(c1)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01454 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01454 |
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
2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
1 2 1 0 0 0 0
1 7 1 0 0 0 0
2 3 2 0 0 0 0
7 8 1 0 0 0 0
3 4 1 0 0 0 0
7 9 2 0 0 0 0
4 5 2 0 0 0 0
4 10 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pk037
NAME 4-Methyl-benzoic acid
FORMULA C8H8O2
EXACTMASS 136.0524
AVERAGEMASS 136.1479
SMILES Cc(c1)ccc(c1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01454
M END
