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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:27 UTC
Update Date2025-03-25 00:59:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234332
Frequency0.5
Structure
Chemical FormulaC12H10O3
Molecular Mass202.063
SMILESCc1cc(C(=O)c2ccco2)ccc1O
InChI KeyRXGAKPHPFOPEKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl ketones
  • benzoyl derivatives
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • oxacyclic compounds
  • toluenes
    • Substituents
  • furan
  • monocyclic benzene moiety
  • furoic acid or derivatives
  • aromatic heteromonocyclic compound
  • aryl-phenylketone
  • heteroaromatic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxide
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organoheterocyclic compound