Bidens procera L.C.Xu ex X.W.Zheng (B. procera) as a new species was firstly investigated by phytochemical method, resulting in the isolation of sixteen compounds including eight flavonoids (7-14), four caffeoyl derivatives (3-6), two coumarins (1-2), one alkaloid (15), and one aliphatic (16). Their structures were elucidated by analyses of their NMR and MS spectroscopic data as well as by comparison of these data with those published in the literature. Compounds 2, 9, 15, 16 were reported from the Compositae family for the first time. Chemotaxonomic studies indicated that there were close relationships between species B. procera and Bidens pilosa L. (B. pilosa), as well as genera Bidens and Chrysanthemum.