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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:25 UTC
Update Date2025-03-25 00:59:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236550
Frequency0.5
Structure
Chemical FormulaC16H15BrO5
Molecular Mass366.0103
SMILESCOc1cc(C2Oc3cc(O)cc(O)c3CC2O)ccc1Br
InChI KeyARDABLBBVSSORV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 3'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl bromides
  • bromobenzenes
  • flavan-3-ols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organobromides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound