Mol:BMMCHC--p018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 10 10 0 0 1 0 0 0 0 0999 V2000 3.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.0861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5201 -0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 9 1 1 0 0 0 0 3 2 2 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 4 5 1 0 0 0 0 3 8 1 0 0 0 0 2 7 1 0 0 0 0 5 10 1 0 0 0 0 4 9 1 1 0 0 0 S SKP 7 ID BMMCHC--p018 NAME (2R) -4,5-Dihydroxy-2- (hydroxymethyl) furan-3-one CAS_RN 138760-70-0 FORMULA C5H6O5 EXACTMASS 146.0215 AVERAGEMASS 146.0981 SMILES OC[C@H](O1)C(O)=C(O)C(=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06316 M END