Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:51:06 UTC
Update Date2025-03-25 00:26:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01325896
Frequency1.0
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESCC1(C)C2C=CC(=O)CC21
InChI KeyOAVPCJAUDBNDKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • cyclohexenone
  • organic oxide
  • hydrocarbon derivative
  • aliphatic homopolycyclic compound