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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:32 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179704
Frequency0.5
Structure
Chemical FormulaC17H22N2O5PS+
Molecular Mass397.0982
SMILESCOc1ccc2[nH]cc(CC[n+]3csc(CCOP(=O)(O)O)c3C)c2c1
InChI KeyCXUKENVRIKCXKR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • azole
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • phosphoric acid ester
  • anisole
  • monoalkyl phosphate
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound