Hmdb loader

Showing information for DMID02159114

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:30 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159114
Frequency0.5
Structure
Chemical FormulaC15H13IO6
Molecular Mass415.9757
SMILESOc1cc(O)c2c(c1)CC(O)C(c1cc(O)c(O)c(I)c1)O2
InChI KeyKWNBFWGQSHSOEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 8-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl iodides
  • flavan-3-ols
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • o-iodophenols
  • organoiodides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • 8-hydroxyflavonoid
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • 3-halophenol
  • benzopyran
  • 6-hydroxyflavonoid
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound