Mol:BMFYS6DAm001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 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
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
6 10 1 0 0 0 0
6 11 2 0 0 0 0
5 6 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
2 7 1 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
S SKP 7
ID BMFYS6DAm001
NAME 2-Amino-muconic acid
FORMULA C6H7NO4
EXACTMASS 157.0375
AVERAGEMASS 157.1241
SMILES OC(=O)C=CC=C(N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02220
M END
