Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:18:35 UTC
Update Date2025-03-24 20:00:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01102372
Frequency1.2
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=CC=CC(=O)C(C)(C)C
InChI KeyCUCBCQNQNAUNAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone