- Neochlorogenic acid
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Neochlorogenic acid 
(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acidOther names5-O-Caffeoylquinic acidIdentifiers CAS number 906-33-2 
PubChem 5280633 ChemSpider 4444237 ChEBI CHEBI:16384 Jmol-3D images Image 1 - O=C(O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C2
- InChI=1S/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)/b4-2+/t11-,12-,14+,16-/m1/s1
Key: CWVRJTMFETXNAD-NXLLHMKUSA-N
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)/b4-2+/t11-,12-,14+,16-/m1/s1
Key: CWVRJTMFETXNAD-NXLLHMKUBY
Properties Molecular formula C16H18O9 Molar mass 354.31 g mol−1 
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)Infobox references Neochlorogenic acid is a natural polyphenolic compound found in some types dried fruits and a variety of other plant sources. It is an isomer of chlorogenic acid.
Neochlorogenic acid may have potential as a chemopreventive dietary compound.[1]
References
- ^ Noratto, G; Porter, W; Byrne, D; Cisneros-Zevallos, L (2009). "Identifying peach and plum polyphenols with chemopreventive potential against estrogen-independent breast cancer cells". Journal of agricultural and food chemistry 57 (12): 5219–26. doi:10.1021/jf900259m. PMID 19530711.
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