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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:20 UTC
Update Date2025-03-25 00:51:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190655
Frequency0.5
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESC=CC(=O)OCCc1ccc(OC)cc1
InChI KeyVZSSEIYYXSLLNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • enoate ester
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • tyrosol derivative
  • phenoxy compound
  • organooxygen compound