Caffeine, compd. with chlorogenic acid, monopotassium salt

Molecular Formula: C₂₄H₂₇KN₄O₁₁

InChI: InChI=1/C16H18O9.C8H10N4O2.K/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);4H,1-3H3;/q;;+1/p-1/t11-,12-,14-,16+;;/m1../s1/fC16H17O9.C8H10N4O2.K/q-1;;m

InChIKey: InChIKey=MDBFHGLRKNSDBF-HHGHETCJDX
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1C(C(C(CC1(C(=O)[O-])O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O.[K+]

Names:
    Caffeine, compd. with chlorogenic acid, monopotassium salt
    Chlorogenic acid, monopotassium salt, compd with caffeine (1:1)
    Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, monopotassium salt, (1S-(1alpha,3beta,4alpha,5alpha))-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
    EINECS 231-366-1
    NSC407298
    potassium; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylate; 1,3,7-trimethylpurine-2,6-dione
    1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, compd with (1S-(1alpha,3beta,4alpha,5alpha))-3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid monopotassium salt (1:1)
    102735-66-0
    7509-32-2

Registries:
    PubChem CID 73590
    PubChem ID 215827