Description
1-Caffeoyl-beta-D-glucose is a cinnamate ester reported in organisms such as Ligustrum obtusifolium, Adenocaulon himalaicum, and others.
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI: InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1
InChIKey: WQSDYZZEIBAPIN-VBQORRLJSA-N
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Synonyms: 1-Caffeoyl-beta-D-glucose; 14364-08-0; 1-O-caffeoyl-beta-D-glucose; CHEBI:614; b-D-Glucopyranose, 1-[3-(3,4-dihydroxyphenyl)-2-propenoate]; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; CHEMBL482242; ACon1_001812; …
Botanical Source: