Mol:BMFYB4DAr006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 10 0 0 1 0 0 0 0 0999 V2000 | + | 11 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 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 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 9 1 6 0 0 0 | + | 2 9 1 6 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 4 11 2 0 0 0 0 | + | 4 11 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4DAr006 | + | ID BMFYB4DAr006 |
| − | NAME ( | + | NAME (3R) -3-Hydroxy-2,2-dimethylbutanedioic acid |
| − | FORMULA C6H10O5 | + | CAS_RN 7300-61-0 |
| − | EXACTMASS 162.0528 | + | FORMULA C6H10O5 |
| − | AVERAGEMASS 162.1406 | + | EXACTMASS 162.0528 |
| − | SMILES OC(=O)[C@H](O)C(C)(C)C(O)=O | + | AVERAGEMASS 162.1406 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01088 | + | SMILES OC(=O)[C@H](O)C(C)(C)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01088 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:11, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
2 9 1 6 0 0 0
4 10 1 0 0 0 0
4 11 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 5 1 0 0 0 0
S SKP 7
ID BMFYB4DAr006
NAME (3R) -3-Hydroxy-2,2-dimethylbutanedioic acid
CAS_RN 7300-61-0
FORMULA C6H10O5
EXACTMASS 162.0528
AVERAGEMASS 162.1406
SMILES OC(=O)[C@H](O)C(C)(C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01088
M END
