Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:00 UTC
Update Date2025-03-21 18:41:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134062
Frequency18.8
Structure
Chemical FormulaC10H20O2
Molecular Mass172.1463
SMILESCCCC(C)(C)COC(=O)CC
InChI KeyGYTWMXOBIGZQRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound