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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:16 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154156
Frequency0.5
Structure
Chemical FormulaC23H25NO5
Molecular Mass395.1733
SMILESCOc1cc(CC2COC(=O)C2Cc2c[nH]c3ccccc23)cc(OC)c1OC
InChI KeyGGTIDHNKPRFULX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • pyrroles
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • indole
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound