Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:57 UTC
Update Date2025-03-25 00:47:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164593
Frequency0.5
Structure
Chemical FormulaC16H16O2
Molecular Mass240.115
SMILESCC(c1ccc2ccccc2c1)C1CCC(=O)O1
InChI KeyJAMISUJGGCOJCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound