Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:47:02 UTC
Update Date2025-03-24 22:21:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01171214
Frequency1.2
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC(=O)CC1(O)C=COC1
InChI KeyBQOVBLSBVVMSAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dihydrofurans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • dihydrofuran