Hmdb loader

Showing information for DMID02249450

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:02 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249450
Frequency0.5
Structure
Chemical FormulaC16H15ClO5
Molecular Mass322.0608
SMILESCOc1cc(C2Oc3ccc(Cl)c(O)c3CC2O)ccc1O
InChI KeyRLGICNOKLCFDCP-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
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • flavan-3-ols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organochlorides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • aryl chloride
  • 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
  • phenoxy compound
  • organooxygen compound