Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:59 UTC
Update Date2025-03-25 00:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157975
Frequency0.5
Structure
Chemical FormulaC15H20O3
Molecular Mass248.1412
SMILESO=C(O)Cc1cccc(CC2CCC(O)CC2)c1
InChI KeyTXBFNOYRXPYWEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid