Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:28 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225443
Frequency0.5
Structure
Chemical FormulaC13H14O6
Molecular Mass266.079
SMILESCC(=O)OCOC(=O)C(OC(C)=O)c1ccccc1
InChI KeyVSNQZZIGXANEHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetals
  • acylals
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • tricarboxylic acids and derivatives
  • Substituents
  • benzyloxycarbonyl
  • carbonyl group
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • acylal
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound