Chem
J-GLOBAL ID:200907021673766576
Nikkaji number:J1.002.891D
Delphinidin 3-O-(6-caffeoyl-β-D-glucoside)
デルフィニジン3-O-(6-カフェオイル-β-D-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:
C30 H27 O14 [O+]
Molecular formula furigana:
C30-H27-O15
Molecular weight:
627.530
InChI:
InChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26-,27+,28-,30-/m1/s1
InChI key:
CPESTIBYQUOXSA-LHRGPQAGSA-O
SMILES:
O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)c(O)c2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name (4):
2-(3,4,5-トリヒドロキシフェニル)-3-[6-O-[3-(3,4-ジ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-ジヒドロキシ-1-ベンゾピリリウム
2-(3,4,5-トリヒドロキシフェニル)-3-[[6-O-[3-(3,4-ジ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-ジヒドロキシ-1-ベンゾピリリウム
3-{[(2S,3R,4S,5S,6R)-6-({[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}-5,7-ジヒドロキシ-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
3-{[(2S,3R,4S,5S,6R)-6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ4 -chromen-1-ylium
Other name (4):
2-(3,4,5-Trihydroxyphenyl)-3-[6-O-[3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranosyloxy]-5,7-dihydroxy-1-benzopyrylium
2-(3,4,5-Trihydroxyphenyl)-3-[[6-O-[3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
Delphinidin 3-O-(6-caffeoyl-β-D-glucoside)
デルフィニジン3-O-(6-カフェオイル-β-D-グルコシド)
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