Mol:BMMCBZ2Pf042
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 0 0 0 0 0 0999 V2000 | + | 12 12 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 |
| − | 3.0000 -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 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 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pf042 | + | ID BMMCBZ2Pf042 |
| − | NAME 4-Sulfo-benzaldehyde | + | NAME 4-Sulfo-benzaldehyde |
| − | FORMULA C7H6O4S | + | FORMULA C7H6O4S |
| − | EXACTMASS 185.9986 | + | EXACTMASS 185.9986 |
| − | AVERAGEMASS 186.1861 | + | AVERAGEMASS 186.1861 |
| − | SMILES O=Cc(c1)ccc(c1)S(O)(=O)=O | + | SMILES O=Cc(c1)ccc(c1)S(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06679 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06679 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 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
3.0000 -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 2 1 0 0 0 0
1 7 1 0 0 0 0
2 3 2 0 0 0 0
4 9 1 0 0 0 0
3 4 1 0 0 0 0
9 10 2 0 0 0 0
4 5 2 0 0 0 0
9 12 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
9 11 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pf042
NAME 4-Sulfo-benzaldehyde
FORMULA C7H6O4S
EXACTMASS 185.9986
AVERAGEMASS 186.1861
SMILES O=Cc(c1)ccc(c1)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06679
M END
