Mol:BMFYB4DAs005
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 |
| − | 2.8660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 9 1 1 0 0 0 | + | 2 9 1 1 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 2 0 0 0 0 |
| − | 2 5 1 6 0 0 0 | + | 2 5 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4DAs005 | + | ID BMFYB4DAs005 |
| − | NAME (R)-2-Ethylmalic acid | + | NAME (R)-2-Ethylmalic acid |
| − | FORMULA C6H10O5 | + | FORMULA C6H10O5 |
| − | EXACTMASS 162.0528 | + | EXACTMASS 162.0528 |
| − | AVERAGEMASS 162.1406 | + | AVERAGEMASS 162.1406 |
| − | SMILES CC[C@](O)(CC(O)=O)C(O)=O | + | SMILES CC[C@](O)(CC(O)=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02488 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02488 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
2.8660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
4 7 1 0 0 0 0
4 8 2 0 0 0 0
3 4 1 0 0 0 0
2 1 1 0 0 0 0
2 9 1 1 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
2 5 1 6 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYB4DAs005
NAME (R)-2-Ethylmalic acid
FORMULA C6H10O5
EXACTMASS 162.0528
AVERAGEMASS 162.1406
SMILES CC[C@](O)(CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02488
M END
