Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:09 UTC
Update Date2025-03-21 17:59:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00020096
Frequency202.3
Structure
Chemical FormulaC9H16O2
Molecular Mass156.115
SMILESCC12CCC(CO1)C(C)(C)O2
InChI KeySUGPKZWCTGJEOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • oxanes
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • hydrocarbon derivative
  • oxane
  • meta-dioxane
  • organoheterocyclic compound