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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:46 UTC
Update Date2025-03-25 00:53:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200735
Frequency0.5
Structure
Chemical FormulaC18H19NO5
Molecular Mass329.1263
SMILESCOc1ccc2c3c1OC1C(O)C=CC(=O)C4C(O2)N(C)CCC314
InChI KeyMSRCKXRUFUWKQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • coumarans
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • secondary alcohols
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • coumaran
  • alcohol
  • azacycle
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound