Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:58 UTC
Update Date2025-03-21 18:41:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136266
Frequency18.4
Structure
Chemical FormulaC14H20O2
Molecular Mass220.1463
SMILESCc1ccc(C)c(CC(C)CC(=O)O)c1C
InChI KeyREIXCBOQFADYDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound