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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:06 UTC
Update Date2025-03-25 00:59:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235850
Frequency0.5
Structure
Chemical FormulaC19H20O6
Molecular Mass344.126
SMILESCOc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)COC2=O
InChI KeyBNXLKCJVLBPBAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carboxylic acid esters
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • dimethoxybenzene
  • organic oxide
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound