Mol:BMAXS2AKt001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 0 0 0 0 0 0999 V2000
2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 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
4.5981 -0.7500 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
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 2 0 0 0 0
4 10 1 0 0 0 0
7 6 1 0 0 0 0
10 11 1 0 0 0 0
6 5 2 0 0 0 0
11 3 1 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
4 9 2 0 0 0 0
2 1 1 0 0 0 0
9 8 1 0 0 0 0
11 14 2 0 0 0 0
7 15 1 0 0 0 0
1 12 1 0 0 0 0
1 13 2 0 0 0 0
S SKP 7
ID BMAXS2AKt001
NAME 2- [ [2- (4-Hydroxyphenyl) acetyl] amino] acetic acid
CAS_RN 28116-23-6
FORMULA C10H11NO4
EXACTMASS 209.0688
AVERAGEMASS 209.1986
SMILES OC(=O)CNC(=O)Cc(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05596
M END
