Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:16 UTC
Update Date2025-03-25 00:50:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179100
Frequency0.5
Structure
Chemical FormulaC13H9O3+
Molecular Mass213.0546
SMILESOc1ccc2ccc(-c3ccco3)[o+]c2c1
InChI KeyYSYRRFNOPNGAPE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furan
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organooxygen compound