Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:13:44 UTC
Update Date2025-03-24 20:13:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01380382
Frequency0.9
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(O)CC=COC1O
InChI KeyMKEDYMQCUFXSKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • organoheterocyclic compound