Hmdb loader

Showing information for DMID02196161

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:48 UTC
Update Date2025-03-25 00:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196161
Frequency0.5
Structure
Chemical FormulaC19H28O5
Molecular Mass336.1937
SMILESCC1=CC(=O)OC2CC(C)C(C)C(CCC3CC(O)CC(=O)O3)C12
InChI KeyDWWXIZZBZPPDGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • enoate esters
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • dihydropyranone
  • delta valerolactone
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • oxane
  • delta_valerolactone
  • organooxygen compound