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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:26 UTC
Update Date2025-03-25 00:56:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220865
Frequency0.5
Structure
Chemical FormulaC15H11NO5
Molecular Mass285.0637
SMILESO=C1CC(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc21
InChI KeyZCGJRCOVHGWFCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • chromones
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • 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
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • allyl-type 1,3-dipolar organic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • organic oxoazanium
  • organoheterocyclic compound
  • nitrobenzene
  • nitroaromatic compound
  • benzopyran
  • organic 1,3-dipolar compound
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite
  • aryl ketone