Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:22 UTC
Update Date2025-03-25 00:52:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195160
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCC1CC(CC(=O)O)Cc2ccc(O)cc21
InChI KeyJVGRZSWKXLAPKR-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • tetralin
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound