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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:54 UTC
Update Date2025-03-25 00:47:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162197
Frequency0.5
Structure
Chemical FormulaC16H18O7
Molecular Mass322.1053
SMILESO=C(O)CC1CCC(CC2CC(=O)c3c(O)cc(O)cc3O2)O1
InChI KeyKIZGUXIHDIOMKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • vinylogous acids
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • dialkyl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone