Hmdb loader

Showing information for DMID02195602

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:33 UTC
Update Date2025-03-25 00:52:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195602
Frequency0.5
Structure
Chemical FormulaC16H16O5S
Molecular Mass320.0718
SMILESCC1c2c(cc(O)cc2S(=O)O)OC(c2ccccc2)C1O
InChI KeyIAEZVLALDGIAHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-3-ols
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound