TABLE 2

¹³C assignments and HMBC correlations for metabolites M2, M4, and M8

Atom Number^{^a}	M2		M4		M8
Atom Number^{^a}	Shift^{^b}	HMBC Correlations	Shift^{^b}	HMBC Correlations	Shift^{^b}	HMBC Correlations
	ppm		ppm		ppm
2	88.4	H-10	133.1	NH-1, H-10, H-11	88.7	NH-1, H-10, H-11
3	87.7	H-N1, H-4, H-10, H11	105.7	H-N1, H-4, H-10, H-11, H-12	87.5	NH-1, H-4, H-10, H11, H-12
4	123.8	H-6	117.7	H-6	124.8
5	115.2	H-7	118.8	H-7	104.0	H-7
6	128.2	H-4	120.7	H-4	158.6	H-4, H-5, H-7
7	107.3	H-5	111.0	H-5, H-4	95.3	H-5
8	150.4	H-4, H-6	135.8	H-N1, H-4, H-6	152.0	H-4
9	132.7	H-N1, H-7	128.3	H-N1, H-5, H-7	123.4	NH-1, H-5, H-7, H-11
10	40.2		11.7		21.5
11	48.0	H-12	21.2	H-12	40.8	H-12
12	20.5		47.5	H-11, H-14	48.5	H-11, H-14
14	52.3	H-16, H-20	50.0	H16, H20	52.9	H-16,20
15	142.0	H-14, H-17, H-19	134.1	H-14, H-17,H-19	142.0	H-14, H-17,19
16, 20	128.8	H-14	130.9	H-14	129.0	H-14, H-17,19
17, 19	127.4	H-21	128.1	H-21	128.0	H-16,20, H-21
18	138.7	H-17, H-19	135.7	H-16, H-20, H-22	133.5	H-16,20, H-21, H-22
21	129.0		128.1	H-17, H-19	139.5	H-17,19, H-22
22	121.4		123.6	H-21, NH₂-24	121.8	H-21, NH₂-24
23	166.7	H-21, H-22	167.0	H-21, H-22, NH₂-24	167.1	H-21, H-22, NH₂-24

↵a For atom numbering, see Scheme 1.
↵b The ¹³C shifts were extracted from HSQC and HMBC correlation peaks, except those of M4.