Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:52 UTC
Update Date2025-03-25 00:48:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168980
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCC(C)C1CCC(C=O)(C(C)O)O1
InChI KeyYRLNTZNBTQADDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy aldehydes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • beta-hydroxy aldehyde
  • ether
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • organic oxide
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound