Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:49:42 UTC
Update Date2025-03-24 14:04:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00745926
Frequency2.0
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESOC1CCC2(CC1)CO2
InChI KeyAFANEXYKOPKSNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • ether
  • oxirane
  • cyclic alcohol
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound