咖啡酸4-O-α-吡喃葡萄糖苷(166735-99-5)名称与标识符
名称
英文别名:
Linocaffein;Caffeic acid 4-O-glucoside;Caffeoyl-4-O-glucoside;4-o-beta-d-glucopyranosylcaffeic acid;4'-O-beta-D-glucopyranosylcaffeic acid;4-O-beta-D-glucosyl-trans-caffeic acid;trans-caffeic acid 4-O-beta-D-glucoside;4-O-beta-glucopyranosyl-(E)-caffeic acid;4-O-(beta-D-glucopyranosyl)-E-caffeic acid;(E)-4-O-(beta-D-glucopyranosyl)caffeic acid;(E)-caffeic acid 4-O-beta-D-glucopyranoside;trans-caffeic acid 4-O-beta-D-glucopyranoside;(2E)-3-[4-(beta-D-glucopyranosyloxy)-;(2E)-3-[4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]prop-2-enoic acid;(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid;CHEBI:142393;CHEMBL3092675;FS-7342;166735-99-5;
标识符
InChIKey:
OHEYCHKLBCPRLZ-VHCZEJTMSA-N
Inchi:
1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1
SMILES:
O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1C([H])=C([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=C([H])C=1O[H]