. 2018 Jun 20;8:9379. doi: 10.1038/s41598-018-27359-4

Table 1.

Quantitative comparison of metabolites (33) found in the cell extracts.

Metabolites	Chemical Shift^c	Integrals in H and N group^a		Integral in M and N group		Integral in L and N group
Metabolites	Chemical Shift^c	FC^b	VIP	FC	VIP	FC	VIP
2-Hydroxybutyrate	1.64 (m)	0.8091*	1.2184	0.8772	0.6682	0.8289	1.3138
Acetate	1.92 (s)	1.2581**	1.3336	0.9371	0.6518	0.8917	0.9660
Alanine	1.48 (d), 3.78 (q)	0.7854**	1.4726	0.7198**	1.8466	0.9261	1.0691
Arginine	1.91 (m), 3.24 (t), 3.78 (t)	1.1801**	1.3154	0.9308	0.8094	0.9198	1.0006
Aspartate	2.68 (m), 3.90 (m)	2.3843**	1.9762	1.3485**	1.7590	1.0918	1.0695
Creatine	3.04 (m)	1.4486**	1.6717	1.2119*	1.2233	1.1061	0.9868
Creatine phosphate	3.05 (s), 3.96 (s)	0.7406**	1.9484	0.9241**	1.4916	1.0026	0.1080
Glucose	3.49 (t), 3.72 (dd), 5.24 (d)	0.5721*	1.1068	0.4758*	1.3593	0.5937*	1.5728
Glutathione	2.97 (dd), 3.77 (m)	0.4812**	1.9913	0.6360**	2.1425	0.8855	1.8079
Isoleucine	1.02 (d), 1.46 (m)	1.4619**	1.9293	0.9565	0.7286	0.9423	1.0425
Leucine	0.96 (d), 1.69 (m), 3.74 (m)	1.6182**	1.9211	0.9703	0.5433	0.9528	0.8010
Glutamine	2.13 (m), 2.44 (m)	0.6633**	1.7608	0.8495*	1.3052	0.8998*	1.5323
Glycine	3.58 (s)	0.7727**	1.3490	0.7976*	1.3745	0.8868	1.0789
Histidine	7.09 (s)	1.6638**	1.6217	1.2003	1.0026	1.0393	0.4060
Isocitrate	2.97 (m), 4.02 (d)	0.7867**	1.3550	0.7174**	1.7326	0.8080*	1.7588
Lactate	1.33(d), 4.12(q)	1.2566*	1.1083	1.3198**	1.6731	1.2986**	1.9174
Lysine	1.46 (m), 1.73 (m), 3.77 (t)	1.1092*	1.1748	1.1189*	1.2745	1.0932	1.2703
N-Acetylglutamate	2.05 (m), 2.23 (t)	0.5184**	1.9286	0.5883**	2.1010	0.5746**	2.7253
N-Acetylglutamine	1.93 (dd), 2.12 (s)	0.5353**	1.9909	0.7079**	2.1119	0.9326	1.3865
NADP+	8.47(s), 8.83(d)	1.4298**	1.3746	1.0824	0.5863	1.0376	0.3253
O-Phosphocholine	3.24 (s), 3.60 (m), 4.15 (m)	1.3489**	1.3257	1.0051	0.1356	1.0013	0.2452
Phenylalanine	3.29 (dd), 3.98 (m), 7.38 (m)	2.1359**	1.7687	1.3651*	1.3178	1.0465	0.3762
Proline	3.38 (m), 4.15 (m)	0.7138**	1.3935	0.6666**	1.7600	0.7077**	2.2799
Taurine	3.26 (t), 3.42 (t)	1.5803**	1.8060	1.4417**	1.8751	1.1620	1.2841
Tyrosine	3.06 (dd), 3.94 (m), 6.90 (d)	1.2952**	1.7079	1.1039	1.0807	0.9324	0.9615
Valine	0.99 (d), 1.05 (d), 2.28 (m)	1.4327**	1.8617	1.0486	0.7198	0.9751	0.4531
ATP	4.22(m), 4.29(m)	0.7931**	1.3549	0.6575**	1.8749	0.7501**	2.1786
Threonine	1.33 (d), 3.56 (d)	1.2368**	1.5755	1.1438*	1.3897	1.1418	1.4358
N,N-Dimethylglycine	2.92 (s), 3.72 (s)	0.5694**	1.6912	0.5577**	1.9002	0.7364**	1.9582
Betaine	3.24 (s), 3.89 (s)	0.7408**	1.6815	0.7418**	1.8939	0.8049**	2.1787
Glutamate	2.11 (m), 2.33(m), 3.75 (m)	0.4799**	2.0016	0.6705**	2.1172	0.8733**	2.1524
2-Oxoglutarate	2.4 (t), 3.01 (t)	0.8135**	1.4803	0.8325**	1.6518	0.8979*	1.5029
N-Acetylglycine	2.05 (s), 3.74 (d)	0.7879**	1.3319	0.7194**	1.7719	0.8957	1.0959

^aThe relative integrals of metabolites were determined from the ¹H NMR analysis of cell extracts of each group. N: normal group; H: high emodin group (100 μΜ); M: middle emodin group (50 μM); L: low emodin group (10 μM).

^bFC: fold change.

^cThe chemical shifts in bold were used to calculate integrals and p values.

**Compared with the normal group, p < 0.01; *compared with the normal group, p < 0.05.