Mol:BMFYB6SAk004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 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
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 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
3.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 11 2 0 0 0 0
7 12 1 0 0 0 0
4 5 2 0 0 0 0
7 13 2 0 0 0 0
4 3 1 0 0 0 0
2 1 1 0 0 0 0
5 6 1 0 0 0 0
2 10 1 0 0 0 0
3 2 2 0 0 0 0
1 8 1 0 0 0 0
4 7 1 0 0 0 0
1 9 2 0 0 0 0
S SKP 7
ID BMFYB6SAk004
NAME 4-Carboxy-2-hydroxy-muconate semialdehyde
FORMULA C7H6O6
EXACTMASS 186.0164
AVERAGEMASS 186.1189
SMILES O=CC=C(C=C(O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04484
M END
