Mol:BMMCBZ2Pf043
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1340 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1340 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1340 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1340 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1340 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1340 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -1.7500 0.0000 O 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 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 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 10 13 2 0 0 0 0 | + | 10 13 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pf043 | + | ID BMMCBZ2Pf043 |
| − | NAME 4-Sulfo-benzoic acid | + | NAME 4-Sulfo-benzoic acid |
| − | FORMULA C7H6O5S | + | FORMULA C7H6O5S |
| − | EXACTMASS 201.9935 | + | EXACTMASS 201.9935 |
| − | AVERAGEMASS 202.1855 | + | AVERAGEMASS 202.1855 |
| − | SMILES OC(=O)c(c1)ccc(c1)S(O)(=O)=O | + | SMILES OC(=O)c(c1)ccc(c1)S(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02236 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02236 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 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
4 10 1 0 0 0 0
5 4 1 0 0 0 0
10 11 2 0 0 0 0
4 3 2 0 0 0 0
10 13 2 0 0 0 0
3 2 1 0 0 0 0
7 9 1 0 0 0 0
2 1 2 0 0 0 0
7 8 2 0 0 0 0
10 12 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pf043
NAME 4-Sulfo-benzoic acid
FORMULA C7H6O5S
EXACTMASS 201.9935
AVERAGEMASS 202.1855
SMILES OC(=O)c(c1)ccc(c1)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02236
M END
