Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:48 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175743
Frequency0.5
Structure
Chemical FormulaC15H22O2
Molecular Mass234.162
SMILESCCC(C)CCCOC(=O)Cc1ccccc1
InChI KeyVOCWWSYCRMEMGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound