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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:55 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201087
Frequency0.5
Structure
Chemical FormulaC23H22O10
Molecular Mass458.1213
SMILESCOc1cc(C2c3cc4c(cc3C(OC(C)=O)C(=O)C2C(=O)O)OCO4)cc(OC)c1OC
InChI KeySNTBFDQKZAJNKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acetals
  • alkyl aryl ethers
  • alpha-acyloxy ketones
  • anisoles
  • benzodioxoles
  • carboxylic acid esters
  • carboxylic acids
  • cyclic ketones
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alpha-acyloxy ketone
  • cyclic ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • 2-naphthalenecarboxylic acid
  • organooxygen compound