Mol:BMMCBZ2Pf008
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 -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 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 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 |
| − | 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 |
| − | 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pf008 | + | ID BMMCBZ2Pf008 |
| − | NAME 4-( | + | NAME 4- (Hydroxymethyl) benzenesulfonic acid |
| − | FORMULA C7H8O4S | + | CAS_RN 122855-96-3 |
| − | EXACTMASS 188.0143 | + | FORMULA C7H8O4S |
| − | AVERAGEMASS 188.202 | + | EXACTMASS 188.0143 |
| − | SMILES OCc(c1)ccc(c1)S(O)(=O)=O | + | AVERAGEMASS 188.202 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06678 | + | SMILES OCc(c1)ccc(c1)S(O)(=O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06678 | ||
M END | M END | ||
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Latest revision as of 16:00, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
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 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 2.2500 0.0000 C 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
2.1340 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
1 8 1 0 0 0 0
6 1 1 0 0 0 0
8 9 2 0 0 0 0
1 2 2 0 0 0 0
8 11 2 0 0 0 0
2 3 1 0 0 0 0
7 12 1 0 0 0 0
8 10 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pf008
NAME 4- (Hydroxymethyl) benzenesulfonic acid
CAS_RN 122855-96-3
FORMULA C7H8O4S
EXACTMASS 188.0143
AVERAGEMASS 188.202
SMILES OCc(c1)ccc(c1)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06678
M END
