Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:16 UTC
Update Date2025-03-25 00:54:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208759
Frequency0.5
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESCC(C(=O)O)c1cc2ccccc2cc1CCC(=O)O
InChI KeyIILZQZGYUVNDSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • naphthalene
  • carboxylic acid
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound