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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:00 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178546
Frequency0.5
Structure
Chemical FormulaC11H15NO3
Molecular Mass209.1052
SMILESCNCC1Oc2cc(O)ccc2CC1O
InChI KeyLLPUGXHBGVVRGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine