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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:42:52 UTC
Update Date2025-03-24 21:18:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01737127
Frequency0.7
Structure
Chemical FormulaC7H9O2-
Molecular Mass125.0608
SMILESCC(=O)C=CC=C(C)[O-]
InChI KeyRQMWIYMPUWPVLE-UHFFFAOYSA-M
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic anions
  • organic oxides
    • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic anion
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone