Bioprospecting the Metabolome of Plant Urtica dioica L.: A Fast Dereplication and Annotation Workflow in Plant Metabolomics

Table 2

NMR spectroscopic data of compound 13 (¹H: 400 MHz; ¹³C: 100 MHz, in CD₃OD).

	δC	δH (J in hz)	HMBC	COSY
1	132.2	—	—	—
2	119.9	7.07 (d, 1.3)	39.5, 132.8, 125.2, 146.7	—
3	146.7	—	—	—
4	116.9	6.81 (d, 1.0)	146.7, 146.6, 119.9	—
5	146.6	—	—	—
6	125.2	6.77 (d, 1.0)	146.6, 119.9, 132.8	—
7	39.5	2.69 (t, 7.3)	132.8, 62.5, 132.8, 125.2, 119.9	3.92
8	62.5	3.92 (t, 7.3)	39.5, 132.8	2.69
1′	104.4	4.78 (d, 7.9)	146.7, 77.7	3.47
2′	77.7	3.47 (dd, 7.9, 2.8)	104.4, 74.9	4.78
3′	74.9	3.47 (t, 2.8)	77.7, 78.4	—
4′	78.4	3.35 (dd, 9.8, 2.8)	74.9, 71.4	—
5′	71.4	3.47	78.4, 64.3	—
6′	64.3	3.74	71.4, 78.4
		3.46