Hmdb loader

Showing information for DMID02155045

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:39 UTC
Update Date2025-03-25 00:46:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155045
Frequency0.5
Structure
Chemical FormulaC13H14O4
Molecular Mass234.0892
SMILESCc1ccc(CC2CCC(=O)O2)c(C=O)c1O
InChI KeyFUMXOCIMTNJYFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • ortho cresols
  • oxacyclic compounds
  • tetrahydrofurans
  • toluenes
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • o-cresol
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • hydroxybenzaldehyde
  • toluene