Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:41:51 UTC
Update Date2025-03-24 20:26:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01447093
Frequency0.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCOC1C=CC(O)CC1O
InChI KeyTTYNMFMAVBWHSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclitols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • ether
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • cyclitol or derivatives
  • hydrocarbon derivative
  • dialkyl ether