Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:05:24 UTC
Update Date2025-03-24 21:01:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01646796
Frequency0.8
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCCC1(CC)OCC(C)O1
InChI KeyVAGKSJTVQTUQIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • meta-dioxolane
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound