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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:03 UTC
Update Date2025-03-25 01:00:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244903
Frequency0.5
Structure
Chemical FormulaC16H25NO3
Molecular Mass279.1834
SMILESCN(C)CCC(CO)c1ccc(C(C)(C)C(=O)O)cc1
InChI KeyBVBZHNDUZAJNSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organopnictogen compounds
  • phenylpropanes
  • primary alcohols
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • tertiary amine
  • alcohol
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aromatic monoterpenoid