Hmdb loader

Showing information for DMID00046466

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:18 UTC
Update Date2025-03-21 18:03:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046466
Frequency72.1
Structure
Chemical FormulaC16H16O8S
Molecular Mass368.0566
SMILESCC1(O)Cc2c(O)cc(OS(=O)O)cc2OC1c1ccc(O)c(O)c1
InChI KeyJJQRGLVLAAQHRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound