Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:16 UTC
Update Date2025-03-25 00:58:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233885
Frequency0.5
Structure
Chemical FormulaC17H20O2
Molecular Mass256.1463
SMILESCC1=CC2CC(OC(=O)c3ccccc3)C1C2(C)C
InChI KeyHTFXBPBJVWQNBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • benzoyl derivatives
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • Substituents
  • benzoyl
  • aromatic homopolycyclic compound
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound