Description
IUPAC Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChI: InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
InChIKey: BMRSEYFENKXDIS-OTCYKTEZSA-N
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
Isomeric SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O
Synonyms: 2-Coumaroylquinic acid; 1899-30-5; 5746-55-4; trans-5-O-(4-coumaroyl)-D-quinic acid; 5-p-coumaroylquinic acid; 3-p-coumaroylquinic acid; p-Coumaroyl quinic acid; o-Coumaroylquinic acid; …
Botanical Source: