Mol:BMFYS6DAf006
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 0 0 0 0 0 0999 V2000 | + | 14 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYS6DAf006 | + | ID BMFYS6DAf006 |
| − | NAME 3- | + | NAME (2E,4Z) -3-Sulfohexa-2,4-dienedioic acid |
| − | FORMULA C6H6O7S | + | CAS_RN 278618-87-4 |
| − | EXACTMASS 221.9834 | + | FORMULA C6H6O7S |
| − | AVERAGEMASS 222.1736 | + | EXACTMASS 221.9834 |
| − | SMILES OC(=O)C=CC(=CC(O)=O)S(O)(=O)=O | + | AVERAGEMASS 222.1736 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06675 | + | SMILES OC(=O)C=CC(=CC(O)=O)S(O)(=O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06675 | ||
M END | M END | ||
| − | |||
Latest revision as of 11:59, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 12 2 0 0 0 0
6 5 1 0 0 0 0
9 11 1 0 0 0 0
5 4 2 0 0 0 0
6 14 1 0 0 0 0
3 9 1 0 0 0 0
2 1 1 0 0 0 0
4 3 1 0 0 0 0
1 8 1 0 0 0 0
9 10 2 0 0 0 0
1 7 2 0 0 0 0
3 2 2 0 0 0 0
6 13 2 0 0 0 0
S SKP 7
ID BMFYS6DAf006
NAME (2E,4Z) -3-Sulfohexa-2,4-dienedioic acid
CAS_RN 278618-87-4
FORMULA C6H6O7S
EXACTMASS 221.9834
AVERAGEMASS 222.1736
SMILES OC(=O)C=CC(=CC(O)=O)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06675
M END
