Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:27 UTC
Update Date2025-03-21 18:40:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128128
Frequency19.9
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESCC1(C)CC(=O)c2c(O)cc(O)cc2C1
InChI KeyGEJXUAMLSHIAKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • vinylogous acids
  • Substituents
  • tetralin
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone