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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:11 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153953
Frequency0.5
Structure
Chemical FormulaC21H27NO4
Molecular Mass357.194
SMILESCOc1ccc2c3c1OC1C(OC(=O)C(C)C)CC4C(C2)N(C)CCC341
InChI KeyFMMJXRULVYAIFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids and derivatives
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • coumarans
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • carbonyl group
  • ether
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • coumaran
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound