Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:10:31 UTC
Update Date2025-03-21 22:11:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00510195
Frequency3.3
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESOC1COCOCC1O
InChI KeyHGAAMXKOZKZLBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • 1,3-dioxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol