Mol:BMMCACCHk005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 11 11 0 0 1 0 0 0 0 0999 V2000 4.5981 0.5000 0.0000 C 0 0 2 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 3.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 2 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 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 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 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 6 0 0 0 6 5 1 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 1 7 1 0 0 0 0 3 10 1 1 0 0 0 4 11 1 1 0 0 0 S SKP 7 ID BMMCACCHk005 NAME (1S,3R,4S) -3,4-Dihydroxycyclohexane-1-carboxylic acid CAS_RN 333364-12-8 FORMULA C7H12O4 EXACTMASS 160.0735 AVERAGEMASS 160.1677 SMILES OC(=O)[C@@H](C1)C[C@@H](O)[C@@H](O)C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04687 M END