Analyte Name

1-O-Methyl Chlorogenic Acid

CAS Number

374728-77-5

Molecular Formula

C17 H20 O9

Molecular Weight

368.335

Accurate Mass

368.111

SMILES

CO[C@]1(C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O

InChI

InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1

IUPAC

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-1-methoxycyclohexane-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat