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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:22 UTC
Update Date2025-03-25 00:51:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190721
Frequency0.5
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESC=C(C)C(=O)CCc1ccc(O)cc1O
InChI KeyYVRDJMYTROFXIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • benzene and substituted derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • resorcinol
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone