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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:00 UTC
Update Date2025-03-25 00:56:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217515
Frequency0.5
Structure
Chemical FormulaC22H32O5
Molecular Mass376.225
SMILESCC1C(Oc2ccc(CC3CCC(=O)O3)cc2)CC(C(O)CO)C(C)C1C
InChI KeyKXEUUHSRHNVHEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • primary alcohol
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound