Hmdb loader

Showing information for DMID02171225

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:51 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171225
Frequency0.5
Structure
Chemical FormulaC22H18Cl2O6
Molecular Mass448.048
SMILESCOc1cc(C2Oc3cc(Oc4ccc(Cl)cc4Cl)cc(O)c3CC2O)ccc1O
InChI KeyUJRUVQMYJIPLRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-o-methylated flavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organochlorides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • 1,3-dichlorobenzene
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • organooxygen compound