Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:45 UTC
Update Date2025-03-21 17:57:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00010251
Frequency462.4
Structure
Chemical FormulaC7H10O6
Molecular Mass190.0477
SMILESCC(O)C(O)C1OC(=O)C(O)=C1O
InChI KeyZMMZCADSCOTBGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • vinylogous acids
  • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • vinylogous acid
  • 2-furanone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol