Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:52 UTC
Update Date2025-03-25 00:51:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187341
Frequency0.5
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC(=O)OC1OC(C)C(C)C1C
InChI KeyPACDMIQHUNCLKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound