Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:43:30 UTC
Update Date2025-03-21 20:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00304502
Frequency6.5
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=CC1(C)CCOCO1
InChI KeyYTWHJDYNISBQOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound