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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:03 UTC
Update Date2025-03-25 00:54:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208234
Frequency0.5
Structure
Chemical FormulaC15H17NO3
Molecular Mass259.1208
SMILESCC(C)c1ccc(C(=O)O)c(NCc2ccco2)c1
InChI KeyDMYQWRHBAVULDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • benzoic acids
  • benzoyl derivatives
  • cumenes
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylalkylamines
  • phenylpropanes
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • furan
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • cumene
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organoheterocyclic compound
  • vinylogous amide
  • heteroaromatic compound
  • benzoic acid or derivatives
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aromatic monoterpenoid