Mol:BMMCBZ3Sk018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 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 3 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
4.5981 2.7500 0.0000 O 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
2.8660 1.7500 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
4 13 1 0 0 0 0
5 4 2 0 0 0 0
3 12 1 0 0 0 0
4 3 1 0 0 0 0
1 7 1 0 0 0 0
3 2 2 0 0 0 0
7 11 1 4 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
S SKP 7
ID BMMCBZ3Sk018
NAME 3,4-Dihydroxy-mandelic acid
FORMULA C8H8O5
EXACTMASS 184.0371
AVERAGEMASS 184.1461
SMILES OC(=O)C(O)c(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05580
M END
