Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:50:48 UTC
Update Date2025-03-21 18:02:49 UTC
HMDB IDHMDB0059721
Metabolite Identification
DeepMet IDDMID00040448
Namemono-Benzyl malonate
Frequency85.4
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESO=C(O)CC(=O)OCc1ccccc1
InChI KeyCFLAHQSWDKNWPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • benzyloxycarbonyl
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound