Chem
J-GLOBAL ID：200907092357011797   Nikkaji number：J2.014.805E

5-Carboxypyranopelargonidin 3-O-β-glucopyranoside

5-カルボキシピラノペラルゴニジン3-O-β-グルコピラノイシド
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： C22H21O10[O+]
Molecular formula furigana： C22-H21-O11
Molecular weight： 461.398
InChI： InChI=1S/C22H20O11/c23-8-15-16(26)17(27)18(28)22(32-15)31-14-7-12-11(21(29)30)5-6-13(25)20(12)33-19(14)9-1-3-10(24)4-2-9/h1-7,15-18,22-23,26-28H,8H2,(H2-,24,25,29,30)/p+1/t15-,16-,17+,18-,22-/m1/s1
InChI key： OMDUCABGEDIPNV-GKICUZSHSA-O
SMILES： OC[C@H]1O[C@@H](Oc2cc3c(ccc(O)c3[o+]c2c2ccc(O)cc2)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5-カルボキシ-8-ヒドロキシ-1-ベンゾピリリウム
  • 5-カルボキシ-8-ヒドロキシ-2-(4-ヒドロキシフェニル)-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
  • 5-carboxy-8-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (3)：
  • 2-(4-Hydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-carboxy-8-hydroxy-1-benzopyrylium
  • 5-Carboxypyranopelargonidin 3-O-β-glucopyranoside
  • 5-カルボキシピラノペラルゴニジン3-O-β-グルコピラノイシド
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