Mol:BMFYB6DAk005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 11 1 0 0 0 0
5 7 1 0 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
1 10 2 0 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
6 13 2 0 0 0 0
4 3 1 0 0 0 0
8 14 2 0 0 0 0
4 5 2 0 0 0 0
8 15 1 0 0 0 0
6 12 1 0 0 0 0
S SKP 7
ID BMFYB6DAk005
NAME 5-Carboxy-methyl-2-hydroxy-muconic acid
FORMULA C8H8O7
EXACTMASS 216.027
AVERAGEMASS 216.1449
SMILES OC(=O)CC(=CC=C(O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04186
M END
