Hmdb loader

Showing information for DMID02219119

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:41 UTC
Update Date2025-03-25 00:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219119
Frequency0.5
Structure
Chemical FormulaC17H16O5S
Molecular Mass332.0718
SMILESCOc1ccc2c(c1)SC(c1ccc(OC)c(O)c1)C(O)C2=O
InChI KeyGMMOMNFRGJVUPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiochromanes
Subclass thioflavans
Direct Parent thioflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • thiopyrans
  • vinylogous thioesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • 1-benzothiopyran
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • alcohol
  • vinylogous thioester
  • benzothiopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • thiopyran
  • methoxybenzene
  • thioflavan
  • organic oxygen compound
  • thioether
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone