Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:49 UTC
Update Date2025-03-25 00:56:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221757
Frequency0.5
Structure
Chemical FormulaC8H14O3
Molecular Mass158.0943
SMILESOC1CCC2(CC1)COCO2
InChI KeyBBNBUWWUEUBKRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolanes
Subclass 1,3-dioxolanes
Direct Parent 1,3-dioxolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • organooxygen compound