Analyte Name

5-O-Coumaroylquinic Acid

CAS Number

87099-71-6

Molecular Formula

C16 H18 O8

Molecular Weight

338.309

Accurate Mass

338.1

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O)C(=O)O

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

IUPAC

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat