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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:22 UTC
Update Date2025-03-25 01:01:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250248
Frequency0.5
Structure
Chemical FormulaC17H12O4
Molecular Mass280.0736
SMILESO=C(OCc1ccccc1)c1cc(=O)c2ccccc2o1
InChI KeyXTSABVJRUHBGIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzyloxycarbonyls
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • benzyloxycarbonyl
  • monocyclic benzene moiety
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • chromone
  • aromatic heteropolycyclic compound
  • pyran
  • carboxylic acid ester
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound