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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:10 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178876
Frequency0.5
Structure
Chemical FormulaC19H16O7
Molecular Mass356.0896
SMILESCOc1ccc(C2c3cc4c(cc3C(O)C3C(=O)OC23)OCO4)cc1O
InChI KeyFSDDGYVRLPNSHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • beta propiolactones
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • beta_propiolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • oxetane
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound