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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:29 UTC
Update Date2025-03-25 01:01:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250513
Frequency0.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESO=C1NC(Cc2ccccc2)C(O)CO1
InChI KeyRGSCNNGROAIGQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-oxazinanes
  • azacyclic compounds
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • 1,3-oxazinane
  • carbamic acid ester
  • oxazinane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound