Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:11 UTC
Update Date2025-03-25 00:45:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149194
Frequency0.5
Structure
Chemical FormulaC13H9NO5
Molecular Mass259.0481
SMILESNc1c(O)ccc2oc3cc(O)cc(O)c3c(=O)c12
InChI KeyVARXEJWYYRMQSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyranones and derivatives
  • vinylogous acids
  • vinylogous amides
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyranone
  • organopnictogen compound
  • xanthone
  • vinylogous amide
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound