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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:09 UTC
Update Date2025-03-25 00:45:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149136
Frequency0.5
Structure
Chemical FormulaC14H20O2
Molecular Mass220.1463
SMILESCC1=CC=CC=CCC(C)OC(=O)CC1C
InChI KeyXPMQAYQUCHLASO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound