Chem
J-GLOBAL ID：201007019518611716   Nikkaji number：J2.794.944D

3-(β-D-Glucopyranosyloxy)-2-phenyl-1-benzopyrylium

3-(β-D-グルコピラノシルオキシ)-2-フェニル-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： C21H21O6[O+]
Molecular formula furigana： C21-H21-O7
Molecular weight： 385.391
InChI： InChI=1S/C21H21O7/c22-11-16-17(23)18(24)19(25)21(28-16)27-15-10-13-8-4-5-9-14(13)26-20(15)12-6-2-1-3-7-12/h1-10,16-19,21-25H,11H2/q+1/t16-,17-,18+,19-,21-/m1/s1
InChI key： MEQJMMBFNYEOGP-GQUPQBGVSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc3ccccc3[o+]c2c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3-(β-D-グルコピラノシルオキシ)-2-フェニル-1-ベンゾピリリウム
  • 2-フェニル-3-{[(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}-1λ4-クロメン-1-イリウム
  • 2-phenyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 3-(β-D-Glucopyranosyloxy)-2-phenyl-1-benzopyrylium
KEGG COMPOUND： C15550
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