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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:37 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163851
Frequency0.5
Structure
Chemical FormulaC15H21N3O10S
Molecular Mass435.0948
SMILESCC1(C)OC2C3OC(n4ccc(=O)[nH]c4=O)C(O)C3COC2(COS(N)(=O)=O)O1
InChI KeyIHMJTIKRKMIMNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolopyrans
Subclass dioxolopyrans
Direct Parent dioxolopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketals
  • lactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic sulfuric acids and derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • meta-dioxolane
  • lactam
  • monosaccharide
  • pyrimidone
  • pyrimidine
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • dioxolopyran
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound