Hmdb loader

Showing information for DMID02171264

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:52 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171264
Frequency0.5
Structure
Chemical FormulaC16H16O7S
Molecular Mass352.0617
SMILESCOc1cc(C2COc3c(O)cc(OS(C)=O)cc3O2)ccc1O
InChI KeyUJWAWEXSKBPKCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkanesulfinic acids and derivatives
  • alkyl aryl ethers
  • anisoles
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • alkanesulfinic acid or derivatives
  • organic oxide
  • aromatic heteropolycyclic compound
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound