Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:04 UTC
Update Date2025-03-25 00:55:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210709
Frequency0.5
Structure
Chemical FormulaC10H12O4
Molecular Mass196.0736
SMILESCC(=O)C1=C(O)C(=O)C(C)(C)CC1=O
InChI KeyGFQQTYWVFCYVOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • vinylogous acids
  • Substituents
  • cyclohexenone
  • vinylogous acid
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative