Chem
J-GLOBAL ID：201107075873984625   Nikkaji number：J2.966.386F

Cyanidin 3-O-β-[6′′-(3-hydroxy-3-methylglutaroyl)glucopyranoside]

シアニジン3-O-β-[6′′-(3-ヒドロキシ-3-メチルグルタロイル)グルコピラノシド]
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： C27H29O14[O+]
Molecular formula furigana： C27-H29-O15
Molecular weight： 593.513
InChI： InChI=1S/C27H28O15/c1-27(38,8-20(32)33)9-21(34)39-10-19-22(35)23(36)24(37)26(42-19)41-18-7-13-15(30)5-12(28)6-17(13)40-25(18)11-2-3-14(29)16(31)4-11/h2-7,19,22-24,26,35-38H,8-10H2,1H3,(H4-,28,29,30,31,32,33)/p+1/t19-,22-,23+,24-,26-,27?/m1/s1
InChI key： ONIXUYHDDAYCKK-AOUVQBMESA-O
SMILES： CC(O)(CC(=O)O)CC(=O)OC[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)：
  • 3-[[6-O-(3,5-ジヒドロキシ-3-メチル-1,5-ジオキソペンチル)-β-D-グルコピラノシル]オキシ]-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(4-カルボキシ-3-ヒドロキシ-3-メチルブタノイル)オキシ]メチル}-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-1λ4-クロメン-1-イリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (3)：
  • 3-[[6-O-(3,5-Dihydroxy-3-methyl-1,5-dioxopentyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
  • シアニジン3-O-β-[6′′-(3-ヒドロキシ-3-メチルグルタロイル)グルコピラノシド]
  • Cyanidin 3-O-β-[6′′-(3-hydroxy-3-methylglutaroyl)glucopyranoside]
Thsaurus map：
Thesaurus Map

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