Chem
J-GLOBAL ID：200907024189691196   Nikkaji number：J2.481.056I

Plantagoside

プランタゴシド
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： C21H22O12
Molecular formula furigana： C21-H22-O12
Molecular weight： 466.395
InChI： InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1
InChI key： SNFFBROYEDWRGB-NHXQFOETSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2α-[4,5-ジヒドロキシ-3-(β-D-グルコピラノシルオキシ)フェニル]-2,3-ジヒドロ-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-ジヒドロキシ-5-{[(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)-5,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • 2α-[4,5-Dihydroxy-3-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
  • プランタゴシド
  • Plantagoside
CAS registry number： 78708-33-5
KEGG COMPOUND： C17531
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