Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:15:58 UTC
Update Date2025-03-24 19:58:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01096099
Frequency1.3
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC(C)(O)C1OC=CC1=O
InChI KeyPKCREWFIDFLBRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
  • vinylogous esters
  • Substituents
  • alcohol
  • carbonyl group
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound