Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:06 UTC
Update Date2025-03-21 18:41:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136576
Frequency18.3
Structure
Chemical FormulaC17H18O3
Molecular Mass270.1256
SMILESO=C(O)CCCOC(c1ccccc1)c1ccccc1
InChI KeyLJRXKLFYKHQBDZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzylethers
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • diphenylmethane
  • carbonyl group
  • ether
  • carboxylic acid
  • benzylether
  • carboxylic acid derivative
  • dialkyl ether
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound