Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:32 UTC
Update Date2025-03-25 00:45:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150035
Frequency0.5
Structure
Chemical FormulaC12H14O4
Molecular Mass222.0892
SMILESCC(=O)CC(=O)CCc1cc(O)ccc1O
InChI KeyQXCQUAYOJLOXKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound