3-O-(E)-阿魏基奎宁酸(87099-72-7)名称与标识符
名称
英文别名:
Cyclohexanecarboxylic acid,1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (1R,3R,4S,5R)-;5-O-(E)-Feruloylquinic Acid;3-Feruloylquinic acid;1DG2CT594J;5-O-Feruloylquinic acid;3-O-(E)-Feruloylquinic acid;MEGxp0_000450;Q27252281;Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1R,3R,4S,5;
标识符
InChIKey:
RAGZUCNPTLULOL-KQJPBSFVSA-N
Inchi:
1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1
SMILES:
O(C(/C=C/C1C=CC(=C(C=1)OC)O)=O)[C@H]1[C@H]([C@@H](C[C@](C(=O)O)(C1)O)O)O