Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:39:48 UTC
Update Date2025-03-21 21:54:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00437794
Frequency4.1
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESC1OC2OC2C2OC12
InChI KeyMQHWAYDCJDIXTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxepanes
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • Substituents
  • 1,3-dioxepane
  • ether
  • 1,4-dioxepane
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound