Chem
J-GLOBAL ID：200907012735306373   Nikkaji number：J2.731.658A

Quercetin 3,4′-bissulfate

クエルセチン3,4′-ビス硫酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H10O13S2
Molecular formula furigana： C15-H10-O13-S2
Molecular weight： 462.350
InChI： InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
InChI key： MUUFJLJGMRBUTO-UHFFFAOYSA-N
SMILES： Oc1cc(O)c2c(c1)oc(c1ccc(OS(=O)(=O)O)c(O)c1)c(OS(=O)(=O)O)c2=O
Systematic name  (3)：
  • 2-(3-ヒドロキシ-4-スルホオキシフェニル)-5,7-ジヒドロキシ-3-スルホオキシ-4H-1-ベンゾピラン-4-オン
  • {5,7-ジヒドロキシ-2-[3-ヒドロキシ-4-(スルホオキシ)フェニル]-4-オキソ-4H-クロメン-3-イル}オキシダンスルホン酸
  • {5,7-dihydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl}oxidanesulfonic acid
Other name (3)：
  • 2-(3-Hydroxy-4-sulfooxyphenyl)-5,7-dihydroxy-3-sulfooxy-4H-1-benzopyran-4-one
  • Quercetin 3,4′-bissulfate
  • クエルセチン3,4′-ビス硫酸
KEGG COMPOUND： C01156
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