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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:07 UTC
Update Date2025-03-21 18:31:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084039
Frequency34.2
Structure
Chemical FormulaC20H31NO3
Molecular Mass333.2304
SMILESCN(C)CC(c1ccc(C(C)(C)C(=O)O)cc1)C1(O)CCCCC1
InChI KeyACWDEULVOWWLBA-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
  • 1,3-aminoalcohols
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organopnictogen compounds
  • phenylpropanes
  • tertiary 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
  • tertiary amine
  • alcohol
  • 1,3-aminoalcohol
  • tertiary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aromatic monoterpenoid