Hmdb loader

Showing information for DMID02201080

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:54 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201080
Frequency0.5
Structure
Chemical FormulaC17H18O8S
Molecular Mass382.0722
SMILESCOc1cc(C2COc3cc(O)ccc3C2)cc(OC)c1OS(=O)(=O)O
InChI KeySIROHUVQLYNRSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass o-methylated isoflavonoids
Direct Parent 3'-o-methylated isoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • isoflavanols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dimethoxybenzene
  • phenylsulfate
  • organic oxide
  • 3p-methoxyisoflavonoid-skeleton
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • isoflavan
  • benzopyran
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound