Hmdb loader

Showing information for DMID02287939

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:37:55 UTC
Update Date2025-03-25 01:07:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02287939
Frequency0.5
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1(C)OC2CC(O)C2O1
InChI KeyFSTYTZHLACLPLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketals
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • meta-dioxolane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • cyclobutanol
  • ketal
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound