Chem
J-GLOBAL ID:200907049532197740   Nikkaji number:J1.062.253K

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(5β-hydroxy-β-D-xylopyranosyloxy)-1-benzopyrylium

2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-(5β-ヒドロキシ-β-D-キシロピラノシルオキシ)-1-ベンゾピリリウム
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: C20H19O10[O+]
Molecular formula furigana: C20-H19-O11
Molecular weight: 435.360
InChI: InChI=1S/C20H18O11/c21-8-4-11(23)9-6-14(30-20-17(27)15(25)16(26)19(28)31-20)18(29-13(9)5-8)7-1-2-10(22)12(24)3-7/h1-6,15-17,19-20,25-28H,(H3-,21,22,23,24)/p+1/t15-,16-,17+,19-,20+/m0/s1
InChI key: IUKZBFPSIRTYSG-VBYALHQYSA-O
SMILES: O[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-(5β-ヒドロキシ-β-D-キシロピラノシルオキシ)-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-{[(2R,3R,4S,5S,6S)-3,4,5,6-テトラヒドロキシオキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1):
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(5β-hydroxy-β-D-xylopyranosyloxy)-1-benzopyrylium
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