Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:00 UTC
Update Date2025-03-25 00:51:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187643
Frequency0.5
Structure
Chemical FormulaC16H30O2
Molecular Mass254.2246
SMILESCC(C)C(=O)OC(C(C)C)C1CCCCC1(C)C
InChI KeyVPVRCSGSHOWARR-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 homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound