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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:11 UTC
Update Date2025-03-25 00:46:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158421
Frequency0.5
Structure
Chemical FormulaC16H19O11+
Molecular Mass387.0922
SMILESOCC(O)C1OC(Oc2cc(O)c3c(O)cc(O)cc3[o+]2)C(O)C(O)C1O
InChI KeyMMXNVZMXCBIICU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound