Hmdb loader

Showing information for DMID02171074

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:47 UTC
Update Date2025-03-25 00:48:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171074
Frequency0.5
Structure
Chemical FormulaC16H12O9S
Molecular Mass380.0202
SMILESCOc1cc(-c2coc3c(OS(=O)(=O)O)cc(O)cc3c2=O)ccc1O
InChI KeyUTYMHHVSOXKTDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound