Mol:BMMCBZ2Mk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 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
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 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
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
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 10 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMMCBZ2Mk001
NAME 3-(3-Hydroxy-phenyl)-propanoic acid
FORMULA C9H10O3
EXACTMASS 166.0629
AVERAGEMASS 166.1739
SMILES OC(=O)CCc(c1)cc(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11457
M END
