Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:35 UTC
Update Date2025-03-25 00:53:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197950
Frequency0.5
Structure
Chemical FormulaC13H14O2
Molecular Mass202.0994
SMILESCC1=C(CCC(=O)O)c2ccc(C)cc21
InChI KeyWFMZFIFEHXFWLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
ClassNot Available
Subclass benzenoids
Direct Parent benzenoids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • carboxylic acid derivative
  • organooxygen compound