Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:25:06 UTC
Update Date2025-03-21 22:18:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00544865
Frequency3.1
Structure
Chemical FormulaC6H8O
Molecular Mass96.0575
SMILESC=C=C(C)CC=O
InChI KeySYRNHKSQZUHNFE-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