Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:06:05 UTC
Update Date2025-03-25 01:18:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02353300
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(C)OC1C(=O)CO
InChI KeyMWYAHSOUFUPWFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • alcohol
  • ether
  • oxirane
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound