Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:21:20 UTC
Update Date2025-03-24 22:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01969817
Frequency0.6
Structure
Chemical FormulaC7H10O
Molecular Mass110.0732
SMILESC=C(C)C(=C)CC=O
InChI KeyBWBGYHQMMGLIBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative