天竺葵素-3-葡萄糖苷(47684-27-5)名称与标识符
名称
英文别名:
Pelargonidin-3-glucosid;Pelargonidin-3-glucosid-chlorid;47684-27-5;W623YHH61A;Callistephin;3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium;Pelargonidin 3-glucoside ion;Q23418996;DTXSID201336082;Pelargonidin 3-o-beta-glucopyranoside;1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-;UNII-W623YHH61A;Pelargonidin-3-glucopyranoside;SCHEMBL347415;PELARGONIDIN 3-O-.BETA.-GLUCOPYRANOSIDE;Pelargonidin 3-glucoside cation;pelargonidin 3-O-beta-D-glucoside;3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride;Pelargonidin 3-O-glucoside;1-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;CHEBI:31967;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride;(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;
标识符
InChIKey:
ABVCUBUIXWJYSE-GQUPQBGVSA-O
Inchi:
1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=CC2C(=CC(=CC=2[O+]=C1C1C=CC(=CC=1)O)O)O