Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:41 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166347
Frequency0.5
Structure
Chemical FormulaC11H20O3
Molecular Mass200.1412
SMILESCC1CCC2(CC(O)C(C)C(C)O2)O1
InChI KeyIARZQRQJPZWGEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • tetrahydrofuran
  • oxacycle
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound