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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:04 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251839
Frequency0.5
Structure
Chemical FormulaC15H13NO5
Molecular Mass287.0794
SMILESO=[N+]([O-])c1cc2c(cc1O)CC(c1ccc(O)cc1)CO2
InChI KeyISTVKJXIBJXHON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • allyl-type 1,3-dipolar organic compound
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • organic oxoazanium
  • organoheterocyclic compound
  • nitroaromatic compound
  • benzopyran
  • organic 1,3-dipolar compound
  • oxacycle
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite