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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:34 UTC
Update Date2025-03-25 00:45:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150109
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCOc1cc2c(cc1O)C(C)OC(=O)C2
InChI KeyUFSJIZZJQBLSQQ-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
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • carbonyl group
  • 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
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound