Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:34:38 UTC
Update Date2025-03-21 17:56:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00002940
Frequency2016.3
Structure
Chemical FormulaC14H14O3
Molecular Mass230.0943
SMILESCOc1ccc2ccc(C(C)C(=O)O)cc2c1
InChI KeyMIJUDPHTZVRTNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organooxygen compound