Chem
J-GLOBAL ID:200907081509683425   Nikkaji number:J1.247.417B

3-[(2-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,7-tetrahydroxy-5′-methoxyflavylium

3-[(2-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,7-テトラヒドロキシ-5′-メトキシフラビリウム
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: C27H31O15[O+]
Molecular formula furigana: C27-H31-O16
Molecular weight: 611.528
InChI: InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18-,20+,21-,22+,23-,25-,26+,27-/m1/s1
InChI key: GUVCTUQWASBOTK-SNQPDBAWSA-O
SMILES: COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • 3-[2-O-(β-D-キシロピラノシル)-β-D-グルコピラノシルオキシ]-5,7-ジヒドロキシ-2-(5-メトキシ-3,4-ジヒドロキシフェニル)-1-ベンゾピリリウム
  • 3-[(2-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,7-テトラヒドロキシ-5′-メトキシフラビリウム
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-5,7-ジヒドロキシ-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxy-5-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (2):
  • 3-[2-O-(β-D-Xylopyranosyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-2-(5-methoxy-3,4-dihydroxyphenyl)-1-benzopyrylium
  • 3-[(2-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,7-tetrahydroxy-5′-methoxyflavylium
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