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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:28 UTC
Update Date2025-03-25 00:50:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179582
Frequency0.5
Structure
Chemical FormulaC17H17NO5
Molecular Mass315.1107
SMILESCOc1ccc(CN2C(=O)C(O)Oc3cc(OC)ccc32)cc1
InChI KeyMYDSAKMOTRUUTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazinones
Direct Parent benzoxazinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • tertiary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • alkyl aryl ether
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • azacycle
  • carboxamide group
  • methoxybenzene
  • oxazinane
  • oxacycle
  • morpholine
  • benzoxazinone
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound