Mol:BMMCHC--0028
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 10 0 0 1 0 0 0 0 0999 V2000 | + | 10 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.8660 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.7321 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 5 10 1 4 0 0 0 | + | 5 10 1 4 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--0028 | + | ID BMMCHC--0028 |
| − | NAME Mevaldic acid | + | NAME Mevaldic acid |
| − | FORMULA C6H10O4 | + | FORMULA C6H10O4 |
| − | EXACTMASS 146.0579 | + | EXACTMASS 146.0579 |
| − | AVERAGEMASS 146.1412 | + | AVERAGEMASS 146.1412 |
| − | SMILES OC(O1)CC(C)(O)CC(=O)1 | + | SMILES OC(O1)CC(C)(O)CC(=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00772 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00772 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 1 0 0 0 0 0999 V2000
3.8660 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -0.8170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5000 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 9 1 0 0 0 0
9 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 8 1 0 0 0 0
3 6 1 4 0 0 0
5 10 1 4 0 0 0
1 7 2 0 0 0 0
S SKP 7
ID BMMCHC--0028
NAME Mevaldic acid
FORMULA C6H10O4
EXACTMASS 146.0579
AVERAGEMASS 146.1412
SMILES OC(O1)CC(C)(O)CC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00772
M END
