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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:57 UTC
Update Date2025-03-25 00:56:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219732
Frequency0.5
Structure
Chemical FormulaC19H28O7
Molecular Mass368.1835
SMILESCc1c(C(C)C)ccc(C(C)C)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyNOOOUXNDMKQYRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • aromatic monoterpenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cumenes
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • phenylpropanes
  • pyran carboxylic acids
  • secondary alcohols
  • terpene glycosides
  • toluenes
    • Substituents
  • monoterpenoid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • monosaccharide
  • p-cymene
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • phenylpropane
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • cumene
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • terpene glycoside
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • toluene
  • aromatic monoterpenoid