Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:24:39 UTC
Update Date2025-03-25 01:50:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02536236
Frequency0.5
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC1C=CC2OC2C1O
InChI KeyLNUXUUOHGPQYKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ether
  • oxirane
  • secondary alcohol
  • hydrocarbon derivative
  • dialkyl ether
  • organoheterocyclic compound