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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:56 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162265
Frequency0.5
Structure
Chemical FormulaC12H14O5
Molecular Mass238.0841
SMILESO=C(O)CC1(CO)OCCc2cc(O)ccc21
InChI KeyIICBUENMYPMNAU-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
  • alcohols and polyols
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • alcohol
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound