Chemical Compound

5-{[6-O-(carboxylatoacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-oxidochromenium-3-yl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

5-{[6-O-(carboxylatoacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-oxidochromenium-3-yl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside 结构式
Primary record

5-{[6-O-(carboxylatoacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-oxidochromenium-3-yl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
71296143
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=O)C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)[O-])O)O)O)C6=CC(=C(C=C6)O)O)COC(=O)/C=C/C7=CC=C(C=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O
Canonical SMILES
O=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc(=O)cc3oc(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc2-3)[C@H](O)[C@@H](O)[C@@H]1O

名称与同义词

  • CHEBI:72650
  • Q27140048
  • cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)
  • cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-)
  • cyanidin 3-O-[2''-O-(xylosyl) 6''-O-(p-coumaroyl)glucoside]-5-O-malonylglucoside
  • 5-{[6-O-(carboxylatoacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-oxidochromenium-3-yl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
  • cyanidin 3-O-[6-O-(4-O-beta-D-glucopyranosyl-p-coumaroyl)-2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]-5-O-(6-O-malonyl-beta-D-glucopyranoside)(1-)