Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:31 UTC
Update Date2025-03-25 00:45:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149991
Frequency0.5
Structure
Chemical FormulaC10H10O3
Molecular Mass178.063
SMILESC=CC1=C(C)C(O)=C(C(C)=O)C1=O
InChI KeyWFVUHEUYWYTGEY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous acids
Subclass vinylogous acids
Direct Parent vinylogous acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • ketone
  • vinylogous acid
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • organooxygen compound