Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:15 UTC
Update Date2025-03-21 18:34:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101110
Frequency27.0
Structure
Chemical FormulaC9H14O4
Molecular Mass186.0892
SMILESO=C(O)CCC1(O)C=CC(O)CC1
InChI KeyGINFSGUINORMGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative