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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:14 UTC
Update Date2025-03-25 00:47:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165284
Frequency0.5
Structure
Chemical FormulaC15H21NO6
Molecular Mass311.1369
SMILESCC1OC(OCC2CNc3ccccc3O2)C(O)C(O)C1O
InChI KeyZMMSGAYORFPJQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • ether
  • monosaccharide
  • alkyl aryl ether
  • benzomorpholine
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • alcohol
  • azacycle
  • benzoxazine
  • secondary amine
  • oxazinane
  • secondary aliphatic/aromatic amine
  • oxacycle
  • morpholine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound