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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:28 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245881
Frequency0.5
Structure
Chemical FormulaC19H26O6S
Molecular Mass382.145
SMILESCC1C(Oc2cccc(CC3COC(=O)S3)c2)OC(C(O)O)C(C)C1C
InChI KeyMIXRRYWUCWTDPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carbonyl hydrates
  • hydrocarbon derivatives
  • monothioacetals
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • oxacyclic compounds
  • oxanes
  • oxathiolanes
  • phenoxy compounds
  • thiolactones
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • carbonyl hydrate
  • oxathiolane
  • aromatic heteromonocyclic compound
  • thiocarbonic acid derivative
  • monothioacetal
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • thiolactone
  • organoheterocyclic compound
  • organooxygen compound