title: [Chemical comparison of different Farfarae Flos by NMR-based metabolomic approaches].
abstract: 1H NMR-based metabolomic approach combined with multivariate statistical analysis was used to evaluate the quality of 21 Farfarae Flos (FF) samples from different growth regions. Principal component analysis showed that wild and cultivated FF could be separated clearly, suggesting a big chemical difference existed between them. Supervised PLS-DA analysis indicated that the wild samples showed higher levels of secondary metabolites, such as bauer-7-ene-3β, 16α-diol, chlorogenic acid, rutin, 7-(3'-ethylcrotonoyloxy)-1α-(2'-methyl-butyryloxy)-3, 14-dehydro-Z-notonipetranone (EMDNT), tussilagone, β-sitosterol and sitosterone. This is consistent with traditional experience that the quality of wild samples are better than that of cultivated ones. The content of pyrrolizidine alkaloids senkirkine also differed greatly among samples from different habitats. The Pearson correlation analysis showed that senkirkine is positively correlated with 4, 5-O-dicaffeoylquinic acid, 3,5-O-dicaffeoylquinic acid, 3,4-O-dicaffeoylquinic acid, rutin, kampferol analogues, to a statistically significant extent. The correlation between the toxic compounds and the bioactive components in FF should be further studied.
authors.forename: Zheng-zheng
authors.initials: ZZ
authors.lastname: Zhang
authors.forename: Hai-juan
authors.initials: HJ
authors.lastname: Zhi
authors.forename: Xue-mei
authors.initials: XM
authors.lastname: Qin
authors.forename: Zhen-yu
authors.initials: ZY
authors.lastname: Li
mesh_terms: D002726:Chlorogenic Acid; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D035264:Flowers / Q000737:chemistry*; D008279:Magnetic Resonance Imaging; D009682:Magnetic Resonance Spectroscopy; D055432:Metabolomics; D011801:Quinic Acid / Q000031:analogs & derivatives; D012431:Rutin; D012855:Sitosterols; D031207:Tussilago / Q000737:chemistry*
chemical_list: D004365:Drugs, Chinese Herbal; D012855:Sitosterols; C472707:caffeoylquinic acid; D011801:Quinic Acid; D002726:Chlorogenic Acid; D012431:Rutin; C025473:gamma-sitosterol