Table 1.

The ¹H NMR data of the metabolites in the urine of rats and HepG2 cells.

No.	Metabolites	1H Shift (multiplicity)	Sample
1A	2-oxoglutarate	2.43 (tB), 3.00 (t)	UC
2	Acetate	1.92 (s)	U, Ca
3	ADP/ATP	5.99 (s), 7.88 (d), 8.19 (s)	Ca
4	Alanine	1.48 (d), 3.78 (q)	U, Ca
5	Cholesterol (total)	0.61 (s), 0.79 (dd), 0.84 (d), 0.94 (s), 1.76 (m)	Cl
6	Choline	3.19 (s)	Ca
7	Citrate	2.55 (d), 2.70 (d)	U
8	Creatine	3.04 (s), 3.93 (s)	Ca
9	Creatinine	3.04 (s), 4.06 (s)	U
10	Dimethylamine	2.72 (s)	U
11	Fatty Acid	0.81 (t), 1.20 (m), 2.24 (m)	Cl
12	Formate	8.46 (s)	U, Ca
13	Fumarate	6.52 (s)	Ca
14	Glutamate	2.10 (m), 2.35 (m), 3.78 (t)	Ca
15	Glutamine	2.11 (m), 2.44 (m), 3.77 (t)	Ca
16	Glutathione	2.54 (m), 2.95 (m), 4.56 (m)	Ca
17	Glycerol	4.07 (dd), 4.22 (dd), 5.19 (br)	Cl
18	Glycerophospholipid	3.86 (s), 5.13 (m)	Cl
19	Glycine	3.56 (s)	U, Ca
20	Hippurate	7.83 (d), 7.64 (t), 7.55 (t), 3.97 (d)	U
21	Inosine	8.22 (s), 8.33 (s)	Ca
22	Isoleucine	0.94 (t), 1.01 (d)	Ca
23	Lactate	1.33 (d), 4.12 (q)	U, Ca
24	Leucine	0.96 (d), 0.97 (d)	Ca
25	Methylamine	2.61 (s)	U
26	N,N-Dimethylglycine	2.92 (s)	U
27	NADP+	8.84 (d), 9.14 (d), 9.33 (s)	Ca
28	Phenylalanine	7.33 (d), 7.38 (t), 7.43 (m)	Ca
29	Phosphatidylcholine	3.23 (s), 3.67 (s), 4.32 (m)	Cl
30	Phosphocholine	3.20 (s)	Ca
31	Succinate	2.40 (s)	U
32	Taurine	3.25 (t), 3.42 (t)	U, Ca
33	Threonine	1.33 (d)	Ca
34	Trimethyamine N-oxide	3.26 (s)	U
35	Tyrosine	6.92 (d), 7.20 (d)	Ca
36	Unsaturated Fatty Acid	2.75 (m), 5.27 (br)	Cl
37	Uracil	5.79 (d), 7.52 (d)	Ca
38	Valine	0.99 (d), 1.04 (d)	Ca

^AThe numbering system is the same as used in Figure 1.

^BMultiplicity: s, singlet; d, doublet; t, triplet; q, quartet; dd, doublet of doublets; m, multiplet; br, broad resonance.

^CU, urine of rats; C_a, aqueous extracts of HepG2 cells; C_l, lipophilic extracts of HepG2 cells.