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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:58 UTC
Update Date2025-03-25 00:50:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180727
Frequency0.5
Structure
Chemical FormulaC12H14O5
Molecular Mass238.0841
SMILESCOc1cc2c(cc1O)C(=O)OC(C(C)O)C2
InChI KeyOPEGOBGPNUGMBT-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
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • carboxylic acid ester
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound