Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:52:23 UTC
Update Date2025-03-24 22:24:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01183698
Frequency1.1
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESO=C(O)C1=C(O)C=CCC1
InChI KeyFEIYGIWFDZOSHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous acids
Subclass vinylogous acids
Direct Parent vinylogous acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • vinylogous acid
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound