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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:51 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249061
Frequency0.5
Structure
Chemical FormulaC17H15ClO6
Molecular Mass350.0557
SMILESCOc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2Cl)cc1OC
InChI KeyHTKQILAUHZQAII-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-o-methylated flavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • alkyl chlorides
  • alpha-chloroketones
  • anisoles
  • aryl alkyl ketones
  • chromones
  • dimethoxybenzenes
  • flavanones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • alkyl chloride
  • flavan
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • ketone
  • dimethoxybenzene
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • chromane
  • alpha-haloketone
  • alkyl halide
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • alpha-chloroketone
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • 4p-methoxyflavonoid-skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone