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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:18 UTC
Update Date2025-03-25 00:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156465
Frequency0.5
Structure
Chemical FormulaC28H42O4
Molecular Mass442.3083
SMILESCc1c(C)c2c(c(C)c1CCC(=O)O)CCC1(C)C2CC(O)C2C(C)(C)C(O)CCC21C
InChI KeyHXUADELUXLJIBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tetralins
  • Substituents
  • alcohol
  • tetralin
  • phenanthrene
  • carbonyl group
  • carboxylic acid
  • aromatic homopolycyclic compound
  • cyclic alcohol
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound