Mol:BMMCLA--f007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 14 0 0 1 0 0 0 0 0999 V2000 | + | 14 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.0301 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0301 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6233 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6233 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2111 -0.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.2111 -0.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7111 -1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7111 -1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5201 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5201 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0246 1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0246 1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4423 2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4423 2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2111 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2111 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -1.4203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -1.4203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4712 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4712 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 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 |
| − | 3 9 1 4 0 0 0 | + | 3 9 1 4 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 13 2 0 0 0 0 | + | 10 13 2 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 6 14 2 0 0 0 0 | + | 6 14 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 9 6 1 0 0 0 0 | + | 9 6 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCLA--f007 | + | ID BMMCLA--f007 |
| − | NAME 4-Sulfo-lactone | + | NAME 4-Sulfo-lactone |
| − | FORMULA C6H6O7S | + | FORMULA C6H6O7S |
| − | EXACTMASS 221.9834 | + | EXACTMASS 221.9834 |
| − | AVERAGEMASS 222.1736 | + | AVERAGEMASS 222.1736 |
| − | SMILES OC(=O)CC(O1)C(=CC(=O)1)S(O)(=O)=O | + | SMILES OC(=O)CC(O1)C(=CC(=O)1)S(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06676 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06676 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
4.0301 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 -0.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.9021 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 -1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0246 1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4423 2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.4203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
4 5 2 0 0 0 0
4 10 1 0 0 0 0
3 9 1 4 0 0 0
3 2 1 0 0 0 0
5 6 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
10 12 2 0 0 0 0
2 1 1 0 0 0 0
6 14 2 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
9 6 1 0 0 0 0
S SKP 7
ID BMMCLA--f007
NAME 4-Sulfo-lactone
FORMULA C6H6O7S
EXACTMASS 221.9834
AVERAGEMASS 222.1736
SMILES OC(=O)CC(O1)C(=CC(=O)1)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06676
M END
