Hmdb loader
Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:51:55 UTC
Update Date2025-03-21 18:03:16 UTC
HMDB IDHMDB0133457
Metabolite Identification
DeepMet IDDMID00043114
Name4-(3,4-dihydroxyphenyl)but-3-en-2-one
Frequency79.0
Structure
Chemical FormulaC10H10O3
Molecular Mass178.063
SMILESCC(=O)C=Cc1ccc(O)c(O)c1
InChI KeyYIFZKRGUGKLILR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acryloyl compounds
  • benzene and substituted derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • organooxygen compound
  • enone