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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:16 UTC
Update Date2025-03-25 00:52:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194949
Frequency0.5
Structure
Chemical FormulaC17H24O2
Molecular Mass260.1776
SMILESCCCCCc1ccc(C(C)C2CCC(=O)O2)cc1
InChI KeyPSIIVCZLEAFJND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass terpene lactones
Direct Parent terpene lactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • p-cymene
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • terpene lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • aromatic monoterpenoid