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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:46 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166541
Frequency0.5
Structure
Chemical FormulaC22H34O5
Molecular Mass378.2406
SMILESCC(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(C)(O)O3)C21
InChI KeyYHZCQOGCIHTOLV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound