Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:25 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125649
Frequency20.4
Structure
Chemical FormulaC7H7IO
Molecular Mass233.9542
SMILESCOc1cccc(I)c1
InChI KeyRSHBAGGASAJQCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl iodides
  • hydrocarbon derivatives
  • iodobenzenes
  • methoxybenzenes
  • organoiodides
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • organooxygen compound