Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:46 UTC
Update Date2025-03-25 00:52:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193832
Frequency0.5
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCCOC(OC(C)=O)c1ccccc1
InChI KeyZPMMSHHZUMTPBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetals
  • benzylethers
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • benzyloxycarbonyl
  • carbonyl group
  • benzylether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound