Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:16:25 UTC
Update Date2025-03-24 20:41:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01529615
Frequency0.8
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC1(C)CCC=C(C=O)O1
InChI KeyXXQSYCZQRWJNNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxacyclic compounds
Subclass oxacyclic compounds
Direct Parent oxacyclic compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • oxacycle
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound