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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:40 UTC
Update Date2025-03-25 00:53:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200502
Frequency0.5
Structure
Chemical FormulaC17H21NO5
Molecular Mass319.142
SMILESCOc1ccc(CNCC(O)c2ccc(O)c(OC)c2)cc1O
InChI KeyKKOICVZNPXVBJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classamaryllidaceae alkaloids
Subclass norbelladine-type amaryllidaceae alkaloids
Direct Parent norbelladine-type amaryllidaceae alkaloids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • norbelladine skeleton
  • organooxygen compound
  • amine