Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:39:55 UTC
Update Date2025-03-24 17:55:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01010243
Frequency1.4
Structure
Chemical FormulaC7H10O
Molecular Mass110.0732
SMILESC=C(C=CC)CC=O
InChI KeyFGPLNJXTOYOFMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • medium-chain aldehyde