Mol:BMFYB5DAk004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 7 1 4 0 0 0 | + | 2 7 1 4 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 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 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 10 1 4 0 0 0 | + | 3 10 1 4 0 0 0 |
| − | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 5 14 2 0 0 0 0 | + | 5 14 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB5DAk004 | + | ID BMFYB5DAk004 |
| − | NAME 2-Methyl-citric acid | + | NAME 2-Methyl-citric acid |
| − | FORMULA C7H10O7 | + | FORMULA C7H10O7 |
| − | EXACTMASS 206.0426 | + | EXACTMASS 206.0426 |
| − | AVERAGEMASS 206.1501 | + | AVERAGEMASS 206.1501 |
| − | SMILES OC(=O)CC(O)(C(O)=O)C(C)C(O)=O | + | SMILES OC(=O)CC(O)(C(O)=O)C(C)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02225 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02225 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 7 1 4 0 0 0
1 9 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
3 10 1 4 0 0 0
6 11 1 0 0 0 0
6 12 2 0 0 0 0
3 6 1 0 0 0 0
3 4 1 0 0 0 0
5 13 1 0 0 0 0
5 14 2 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMFYB5DAk004
NAME 2-Methyl-citric acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)CC(O)(C(O)=O)C(C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02225
M END
