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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:28 UTC
Update Date2025-03-21 18:07:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068032
Frequency44.6
Structure
Chemical FormulaC11H11Cl3O4
Molecular Mass311.9723
SMILESCOc1cc(C(OC(C)=O)C(Cl)(Cl)Cl)ccc1O
InChI KeyAAACKOLSYHBXJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl chlorides
  • anisoles
  • benzyloxycarbonyls
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenoxy compounds
    • Substituents
  • benzyloxycarbonyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl chloride
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • alkyl halide
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound