Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:07 UTC
Update Date2025-03-25 00:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153770
Frequency0.5
Structure
Chemical FormulaC11H20O3
Molecular Mass200.1412
SMILESCC(=O)CCC1(C)CCOC(C)(C)O1
InChI KeyWLJAWJOZRZZEBN-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-dioxanes
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ketone
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound