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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:32 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250631
Frequency0.5
Structure
Chemical FormulaC17H13NO3
Molecular Mass279.0895
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc3[nH]ccc3cc21
InChI KeyVRLHERONVGHFPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • azacyclic compounds
  • benzene and substituted derivatives
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • indole
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • oxacycle
  • organic oxygen compound
  • pyrrole
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone