Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:15 UTC
Update Date2025-03-25 00:51:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190485
Frequency0.5
Structure
Chemical FormulaC12H18O
Molecular Mass178.1358
SMILESC=C1CCCC(C)C1C=CC(C)=O
InChI KeyCARWZGQLEVTOPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone