Mol:BMMCBZ3Sk020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
3.7321 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -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 1.2500 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
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 7 1 0 0 0 0
2 3 2 0 0 0 0
7 8 1 0 0 0 0
3 4 1 0 0 0 0
8 9 1 0 0 0 0
4 5 2 0 0 0 0
4 12 1 0 0 0 0
5 6 1 0 0 0 0
8 10 2 0 0 0 0
6 1 2 0 0 0 0
3 11 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sk020
NAME 3,4-Dihydroxy-phenyl-acetic acid
FORMULA C8H8O4
EXACTMASS 168.0422
AVERAGEMASS 168.1467
SMILES OC(=O)Cc(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01161
M END
