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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159181
Frequency0.5
Structure
Chemical FormulaC10H10O3
Molecular Mass178.063
SMILESC=C(C)C(=O)c1c(O)cccc1O
InChI KeyMSGOGEILJLEJTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-branched alpha,beta-unsaturated ketones
  • aryl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • resorcinols
  • vinylogous acids
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • resorcinol
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone