绿原酸甲酯(123483-19-2)名称与标识符
名称
中文别名:
3-咖啡酰奎尼酸甲酯;绿原酸甲酯;3-O-咖啡酰基奎宁酸甲酯;
英文别名:
3-caffeoylquinic acid methyl ester;5-caffeoylquinic acid methyl ester;5-O-caffeoylquinic acid methyl ester;chlorogenic acid;methyl 3-O-caffeoylquinate;methyl 5-caffeoylquinate;methyl 5-O-caffeoylquinate;methyl chlorogenate;rel-(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid methyl ester;trans-chlorogenic acid methyl ester;(E)-Chlorogenic acid methyl ester;Chlorogenic acid methylester;3-O-Caffeoylquinic acid methyl ester;
标识符
InChIKey:
MZNIJRAPCCELQX-AWOKGZDASA-N
Inchi:
InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
SMILES:
COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O