Hmdb loader

Showing information for DMID02180803

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:00 UTC
Update Date2025-03-25 00:50:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180803
Frequency0.5
Structure
Chemical FormulaC13H13ClO
Molecular Mass220.0655
SMILESCOc1cc2c(C)ccc(C)c2cc1Cl
InChI KeyUIRCVFGWHASKTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass chloronaphthalenes
Direct Parent chloronaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • hydrocarbon derivatives
  • organochlorides
    • Substituents
  • aryl chloride
  • phenol ether
  • ether
  • organochloride
  • chloronaphthalene
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organooxygen compound