Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:06 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160424
Frequency0.5
Structure
Chemical FormulaC10H7NO4
Molecular Mass205.0375
SMILESNc1ccc2occ(C(=O)O)c(=O)c2c1
InChI KeyATACBCYMACOWGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • benzenoids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyranones and derivatives
  • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyranone
  • organopnictogen compound
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound