Mol:BMMCHC--k016
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 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.9543 1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9543 1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6453 0.1639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.6453 0.1639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4543 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4543 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2633 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2633 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9543 1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9543 1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4543 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4543 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 1.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 1.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5882 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5882 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3203 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3203 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5421 1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5421 1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 4 0 0 0 | + | 2 1 1 4 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k016 | + | ID BMMCHC--k016 |
| − | NAME | + | NAME 2- (Carboxymethyl) -5-oxo-2H-furan-3-carboxylic acid |
| − | FORMULA C7H6O6 | + | CAS_RN 16426-62-3 |
| − | EXACTMASS 186.0164 | + | FORMULA C7H6O6 |
| − | AVERAGEMASS 186.1189 | + | EXACTMASS 186.0164 |
| − | SMILES OC(=O)CC(O1)C(=CC(=O)1)C(O)=O | + | AVERAGEMASS 186.1189 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04553 | + | SMILES OC(=O)CC(O1)C(=CC(=O)1)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04553 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:42, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
4.9543 1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.1639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4543 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9543 1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5882 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 4 0 0 0
1 5 1 0 0 0 0
4 3 2 0 0 0 0
5 13 2 0 0 0 0
2 6 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
6 7 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
3 8 1 0 0 0 0
S SKP 7
ID BMMCHC--k016
NAME 2- (Carboxymethyl) -5-oxo-2H-furan-3-carboxylic acid
CAS_RN 16426-62-3
FORMULA C7H6O6
EXACTMASS 186.0164
AVERAGEMASS 186.1189
SMILES OC(=O)CC(O1)C(=CC(=O)1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04553
M END
