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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:34 UTC
Update Date2025-03-25 00:53:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202540
Frequency0.5
Structure
Chemical FormulaC10H8O5
Molecular Mass208.0372
SMILESO=C(O)c1cc2c(cc1O)C(=O)CCO2
InChI KeyFDZKSOPVVBBGFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • salicylic acid and derivatives
  • vinylogous acids
    • Substituents
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • 1-carboxy-2-haloaromatic compound
  • hydroxybenzoic acid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone