Hmdb loader

Showing information for DMID02213388

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:11 UTC
Update Date2025-03-25 00:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213388
Frequency0.5
Structure
Chemical FormulaC20H21N3O3
Molecular Mass351.1583
SMILESCN(C)CCCC1(c2ncccc2C(=O)O)OCc2cc(C#N)ccc21
InChI KeyUNNACRLHZJUAJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
  • trialkylamines
    • Substituents
  • pyridine carboxylic acid or derivatives
  • ether
  • nitrile
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • carbonitrile
  • tertiary amine
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound