Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:08:40 UTC
Update Date2025-03-25 01:19:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02358998
Frequency0.5
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC(=O)C12CC(O)C(C1)O2
InChI KeyZULNKEXDULTAGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • ketone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound