Chem
J-GLOBAL ID：200907041468120737   Nikkaji number：J2.293.744H

3-[6-[3-(4-Hydroxyphenyl)propenoyl]-β-D-glucopyranosyloxy]-5,7-bishydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

3-[6-[3-(4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシルオキシ]-5,7-ビスヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-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： C30H27O13[O+]
Molecular formula furigana： C30-H27-O14
Molecular weight： 611.531
InChI： InChI=1S/C30H26O14/c31-14-4-1-12(2-5-14)3-6-17(33)24(38)29-26(40)25(39)27(41)30(44-29)43-22-11-16-18(34)9-15(32)10-21(16)42-28(22)13-7-19(35)23(37)20(36)8-13/h1-11,24-27,29-30,38-41H,(H5-,31,32,33,34,35,36,37)/p+1/t24?,25-,26-,27+,29+,30+/m0/s1
InChI key： MCNKLFUITLTQFK-OJTXMSCFSA-O
SMILES： OC([C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)C=Cc1ccc(O)cc1
Systematic name  (3)：
  • 3-[6-[3-(4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシルオキシ]-5,7-ビスヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-1-ベンゾピリリウム
  • 5,7-ジヒドロキシ-3-{[(2S,3R,4S,5S,6S)-3,4,5-トリヒドロキシ-6-[1-ヒドロキシ-4-(4-ヒドロキシフェニル)-2-オキソブタ-3-エン-1-イル]オキサン-2-イル]オキシ}-2-(3,4,5-トリヒドロキシフェニル)-1λ4-クロメン-1-イリウム
  • 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[1-hydroxy-4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (1)：
  • 3-[6-[3-(4-Hydroxyphenyl)propenoyl]-β-D-glucopyranosyloxy]-5,7-bishydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
Thsaurus map：
Thesaurus Map

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