Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:27 UTC
Update Date2025-03-25 01:00:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245838
Frequency0.5
Structure
Chemical FormulaC11H16O2
Molecular Mass180.115
SMILESCC1=CCC2C(CC2(C)C)OC1=O
InChI KeyOKUQLDWHDIOZBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • enoate ester
  • carbonyl group
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound