Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:26 UTC
Update Date2025-03-21 17:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014150
Frequency312.0
Structure
Chemical FormulaC14H21NO4
Molecular Mass267.1471
SMILESCOCCc1ccc(OCC(O)CNC(C)=O)cc1
InChI KeyUFFVPVGEYUQNHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • dialkyl ether
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • tyrosol derivative
  • organic nitrogen compound
  • phenoxy compound
  • acetamide
  • organooxygen compound