Mol:BMMCBZ3Sk013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 0 0 0 0 0 0999 V2000 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 6 5 2 0 0 0 0 6 10 1 0 0 0 0 5 4 1 0 0 0 0 1 7 1 0 0 0 0 4 3 2 0 0 0 0 7 8 1 0 0 0 0 3 2 1 0 0 0 0 8 11 1 0 0 0 0 2 1 2 0 0 0 0 8 12 2 0 0 0 0 S SKP 7 ID BMMCBZ3Sk013 NAME 2,6-Dihydroxy-phenyl-acetic acid FORMULA C8H8O4 EXACTMASS 168.0422 AVERAGEMASS 168.1467 SMILES OC(=O)Cc(c(O)1)c(O)ccc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06207 M END