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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:43 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164078
Frequency0.5
Structure
Chemical FormulaC25H38O10
Molecular Mass498.2465
SMILESCC12CCC3C(C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CC(=O)OC2
InChI KeyXPNRUXSHMHVQLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclic alcohols and derivatives
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • naphthalenes
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • delta valerolactone
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • delta_valerolactone
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound