Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:16:51 UTC
Update Date2025-03-24 22:00:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01959218
Frequency0.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESOC1C=CC2COOC2C1
InChI KeyLFUJFBKZRGREBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolanes
Subclass 1,2-dioxolanes
Direct Parent 1,2-dioxolanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl peroxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • dialkyl peroxide
  • secondary alcohol
  • hydrocarbon derivative
  • ortho-dioxolane
  • organooxygen compound