Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:11 UTC
Update Date2025-03-21 17:56:53 UTC
HMDB IDHMDB0032639
Metabolite Identification
DeepMet IDDMID00004283
NameMethyl 4-methoxybenzoate
Frequency1313.1
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESCOC(=O)c1ccc(OC)cc1
InChI KeyDDIZAANNODHTRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent p-methoxybenzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • benzoic acid esters
  • benzoyl derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • Substituents
  • phenol ether
  • ether
  • benzoyl
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • p-methoxybenzoic acid or derivatives
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound