Chem
J-GLOBAL ID：200907072963568526   Nikkaji number：J1.863.019B

2′,3,4,4′,6′-Peptahydroxychalcone 4′-O-glucoside

2′,3,4,4′,6′-ペンタヒドロキシカルコン4′-O-グルコシド
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： C21H22O11
Molecular formula furigana： C21-H22-O11
Molecular weight： 450.396
InChI： InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI key： GZTXEEPKLNRIEL-QNDFHXLGSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 2′,3,4,6′-テトラヒドロキシ-4′-(β-D-グルコピラノシルオキシ)カルコン
  • 4′-(β-D-グルコピラノシルオキシ)-2′,3,4,6′-テトラヒドロキシカルコン
  • 1-(2,6-ジヒドロキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エン-1-オン
  • 1-(2,6-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Other name (4)：
  • 2′,3,4,6′-Tetrahydroxy-4′-(β-D-glucopyranosyloxy)chalcone
  • 4′-(β-D-Glucopyranosyloxy)-2′,3,4,6′-tetrahydroxychalcone
  • 2′,3,4,4′,6′-Peptahydroxychalcone 4′-O-glucoside
  • 2′,3,4,4′,6′-ペンタヒドロキシカルコン4′-O-グルコシド
KEGG COMPOUND： C16408
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