CHLOROGENIC ACID

PubChem Notes:

Chlorogenic Acid A naturally occurring phenolic acid which is a carcinogenic inhibitor. It has also been shown to prevent paraquat-induced oxidative stress in rats. (From J Chromatogr A 1996;741(2):223-31; Biosci Biotechnol Biochem 1996;60(5):765-68).

Molecular Formula: C16H18O9


InChI: InChI=1/C16H18O9/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/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/t11-,12-,14-,16+/m1/s1/f/h22H

InChIKey: InChIKey=CWVRJTMFETXNAD-ZFBJXVJRDV
SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Names:
    CHLOROGENIC ACID
    Cyclohexanecarboxylic acid, 3-[[3- (3, 4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-
    NSC70861
    (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
    3-Caffeoylquinic acid
    3-O-Caffeoylquinic acid
    3-(3,4-Dihydroxycinnamoyl)quinic acid
    327-97-9

Registries:
    PubChem CID 9476
    PubChem ID 114042