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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:38:40 UTC
Update Date2025-03-21 17:58:07 UTC
HMDB IDHMDB0032469
Metabolite Identification
DeepMet IDDMID00012389
NamePhthalide
Frequency367.2
Structure
Chemical FormulaC8H6O2
Molecular Mass134.0368
SMILESO=C1OCc2ccccc21
InChI KeyWNZQDUSMALZDQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isobenzofuranones
Direct Parent phthalides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • carboxylic acid derivative
  • phthalide
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound