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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:00 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105440
Frequency25.6
Structure
Chemical FormulaC14H17NO3
Molecular Mass247.1208
SMILESCOc1ccc2[nH]cc(CCCCC(=O)O)c2c1
InChI KeyYCWOKORIWIURMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino fatty acids
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • fatty acyl
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • heterocyclic fatty acid
  • indole
  • fatty acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • azacycle
  • heteroaromatic compound
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound