Chem
J-GLOBAL ID:201007069857282567
Nikkaji number:J2.801.741C
Delphinidin 3-glucoside 5-caffeoylglucoside
デルフィニジン3-グルコシド5-カフェオイルグルコシド
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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:
C36 H37 O19 [O+]
Molecular formula furigana:
C36-H37-O20
Molecular weight:
789.671
InChI:
InChI=1S/C36H36O20/c37-11-24-28(45)30(47)32(49)36(55-24)54-23-10-16-21(52-34(23)14-6-19(41)27(44)20(42)7-14)8-15(38)9-22(16)53-35-33(50)31(48)29(46)25(56-35)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChI key:
IKPXCKVGTSPZDV-QHVGLBQHSA-O
SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
2-(3,4,5-トリヒドロキシフェニル)-7-ヒドロキシ-3-(β-D-グルコピラノシルオキシ)-5-[[6-O-(3,4-ジヒドロキシシンナモイル)β-D-グルコピラノシル]オキシ]-1-ベンゾピリリウム
5-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]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}-7-ヒドロキシ-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}-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-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4 -chromen-1-ylium
Other name (3):
2-(3,4,5-Trihydroxyphenyl)-7-hydroxy-3-(β-D-glucopyranosyloxy)-5-[[6-O-(3,4-dihydroxycinnamoyl)β-D-glucopyranosyl]oxy]-1-benzopyrylium
Delphinidin 3-glucoside 5-caffeoylglucoside
デルフィニジン3-グルコシド5-カフェオイルグルコシド
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