Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:24 UTC
Update Date2025-03-25 00:55:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211487
Frequency0.5
Structure
Chemical FormulaC16H19NO4
Molecular Mass289.1314
SMILESCC(=O)OC(C)C(Cc1c[nH]c2ccccc12)OC(C)=O
InChI KeyZCLDRIXJTJTGSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • carbonyl group
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • pyrrole
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound