Mol:BMMCLA--k006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
2.5878 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5878 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4846 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3126 1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 -1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 5 1 4 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 9 2 0 0 0 0
4 8 1 0 0 0 0
4 6 1 0 0 0 0
8 13 1 0 0 0 0
8 12 2 0 0 0 0
7 11 1 0 0 0 0
7 10 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMMCLA--k006
NAME 4-Carboxy-muconolactone
FORMULA C7H6O6
EXACTMASS 186.0164
AVERAGEMASS 186.1189
SMILES OC(=O)CC(C=1)(OC(=O)C1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01278
M END
