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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:01 UTC
Update Date2025-03-25 00:45:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151180
Frequency0.5
Structure
Chemical FormulaC16H20O3
Molecular Mass260.1412
SMILESC=Cc1c(C)c(CC2CCC(=O)O2)c(C)c(C)c1O
InChI KeyHNHUBCWFOHDQFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • ortho cresols
  • oxacyclic compounds
  • phenols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • m-cresol
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • o-cresol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound