Premna microphylla Turcz. reshapes nutritional metabolism via the Simulator of the Human Intestinal Microbial Ecosystem model

Table 1 Simulator of the Human Intestinal Microbial Ecosystem system parameters

Compartment	Range of pH	Residence time (hour)	Volume (mL)	Supplementation
Stomach	4.6-3.0 (uniform speed)	2	140	Gastric juice, lecithin, pepsin
Duodenum	6.3-6.7	0.5	124.6	Pancreatic juice, terypsin, chymotrypsin, amylase, CaCl2
Small intestine	6.8-7.2	2	180	NaHCO3
Colon	5.8-6.5	24	419.25

Table 2 Gradient program of mobile phases for chromatographic separation

Time (minute)	Phase B (%)	Phase A (%)
0	5	95
10	10	90
22	18	82
36	50	50
37	95	5
40	95	5
40.01	5	95
45	5	95

Table 3 Total ion current chromatograms of digestive juice samples (stomach, small intestine, extraintestinal tract, and colon) in the control and treatment groups

No.	RT (minute)	Compound	Formula	Theoretical (m/z)	Observed (m/z)	Adducts
1	27.339	(-)-Caryophyllene oxide	C15H24O	220.18269	221.18997	[M+H]+1
2	11.022	(+)-(S)-carvone	C10H14O	150.1045	151.11178	[M+H]+1
3	16.92	(+)-Epicatechin	C15H14O6	290.07906	291.08633	[M+H]+1
4	5.807	(E)-p-coumaric acid	C9H8O3	164.04731	163.04003	[M-H]-1
5	34.059	(E,E)-alpha-farnesene	C15H24	204.18777	205.19504	[M+H]+1
6	3.33	1-Caffeoyl-beta-D-glucose	C15H18O9	342.09477	341.08749	[M-H]-1
7	5.364	1-O-(4-coumaroyl)-beta-D-glucose	C15H18O8	326.10004	325.09276	[M-H]-1
8	31.839	2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one	C19H18O6	342.11033	343.1176	[M+H]+1
9	34.241	3,5-Dihydroxy-4',7-dimethoxyflavone	C17H14O6	314.07904	315.08635	[M+H]+1
10	3.344	8-Hydroxyquinoline	C9H7NO	145.05277	146.06005	[M+H]+1
11	37.656	9(S)-HPODE	C18H32O4	312.23001	311.22274	[M-H]-1
12	38.307	9-Oxo-ODE	C18H30O3	294.21947	293.21218	[M-H]-1
13	0.876	Beta-D-mannopyranose	C6H12O6	180.06328	179.05602	[M-H]-1
14	0.884	Beta-D-xylopyranose	C5H10O5	150.05274	149.04552	[M-H]-1
15	27.339	Bisabolol oxide B	C15H26O2	238.1933	239.20058	[M+H]+1
16	18.062	Blumenol A	C13H20O3	224.14126	225.14854	[M+H]+1
17	33.341	Casticin	C19H18O8	374.10009	375.10738	[M+H]+1
18	1.093	Citric acid	C6H8O7	192.02693	191.01966	[M-H]-1
19	41.25	Erucamide	C22H43NO	337.33447	338.34175	[M+H]+1
20	37.156	Euscaphic acid	C30H48O5	488.35013	487.34268	[M-H]-1
21	39.001	Glycol palmitate	C18H36O3	300.26634	299.25906	[M-H]-1
22	39.57	Hexadecanamide	C16H33NO	255.25623	256.26351	[M+H]+1
23	4.636	Isopropylmalic acid	C7H12O5	176.06835	175.06108	[M-H]-1
24	20.822	Isorhamnetin	C16H12O7	316.05819	317.06546	[M+H]+1
25	0.978	L(-)-pipecolinic acid	C6H11NO2	129.07897	130.08623	[M+H]+1
26	1.312	Leucine	C6H13NO2	131.09458	132.10186	[M+H]+1
27	39.099	Linoleoyl ethanolamide	C20H37NO2	323.2824	324.28968	[M+H]+1
28	0.945	Mesaconic acid	C5H6O4	130.02662	129.01935	[M-H]-1
29	8.526	Methyl cinnamate	C10H10O2	162.06808	163.07536	[M+H]+1
30	23.214	Nootkatone	C15H22O	218.16701	219.17429	[M+H]+1
31	38.573	N-phenyl-1-naphthylamine	C16H13N	219.10477	220.11205	[M+H]+1
32	39.893	Oleamide	C18H35NO	281.27184	282.27911	[M+H]+1
33	39.383	Palmitylethanolamide	C18H37NO2	299.28238	300.28965	[M+H]+1
34	8.474	Propylparaben	C10H12O3	180.07844	179.07116	[M-H]-1
35	3.661	Protocatechuic aldehyde	C7H6O3	138.03169	137.02441	[M-H]-1
36	3.775	Salidroside	C14H20O7	300.12069	345.11878	[M+FA-H]-1
37	31.698	Scrophulein	C17H14O6	314.07905	315.08637	[M+H]+1
38	38.815	Senkyunolide B	C12H12O3	204.0786	205.08588	[M+H]+1
39	32.739	Tangeritin	C20H20O7	372.12083	373.12811	[M+H]+1
40	30.952	Traumatic acid	C12H20O4	228.13608	227.12879	[M-H]-1
41	0.883	Trigonelline	C7H7NO2	137.0477	138.05496	[M+H]+1
42	2.545	Vanillyl alcohol	C8H10O3	154.06296	153.05568	[M-H]-1
43	20.119	Verbascoside	C29H36O15	624.205	623.19772	[M-H]-1
44	38.571	α-linolenic acid	C18H30O2	278.22453	279.23181	[M+H]+1
45	20.436	α-sinensal	C15H22O	218.16703	219.17431	[M+H]+1
46	28.311	(-)-Andrographolide	C20H30O5	350.20928	351.21655	[M+H]+1
47	28.906	(-)-Beta-caryophyllene epoxide	C15H24O	220.18267	221.18995	[M+H]+1
48	26.235	(+)-Leucopelargonidin	C15H14O6	290.07912	291.0864	[M+H]+1
49	10.01	(+)-Riboflavin	C17H20N4O6	376.13829	377.1456	[M+H]+1
50	22.112	(+)-Syringaresinol	C22H26O8	418.16254	417.15509	[M-H]-1
51	18.516	(E)-Ferulic acid	C10H10O4	194.05782	195.06516	[M+H]+1
52	1.842	Beta-D-glucopyranose	C6H12O6	180.0633	179.05603	[M-H]-1
53	38.474	12-oxo phytodienoic acid	C18H28O3	292.20389	293.21115	[M+H]+1
54	10.48	1-O-feruloyl-beta-D-glucose	C16H20O9	356.11047	355.1032	[M-H]-1
55	9.327	4-Methylumbelliferone	C10H8O3	176.04732	177.05459	[M+H]+1
56	9.17	5-Caffeoylshikimic acid	C16H16O8	336.08436	335.07708	[M-H]-1
57	18.336	6-O-feruloylcatalpol	C25H30O13	538.16874	539.17606	[M+H]+1
58	8.473	Abietin	C16H22O8	342.13113	341.12385	[M-H]-1
59	0.966	Adenine	C5H5N5	135.05449	136.06177	[M+H]+1
60	20.699	Beta-myrcene	C10H16	136.12523	137.1325	[M+H]+1
61	3.885	Caffeic acid	C9H8O4	180.04217	181.04947	[M+H]+1
62	9.123	Coniferyl alcohol	C10H12O3	180.07852	179.07124	[M-H]-1
63	31.31	Curcumene	C15H22	202.17195	203.17936	[M+H]+1
64	1.107	D-(+)-pyroglutamic acid	C5H7NO3	129.04262	128.03535	[M-H]-1
65	1.045	DL-arginine	C6H14N4O2	174.11163	175.1189	[M+H]+1
66	0.883	DL-glutamic acid	C5H9NO4	147.05316	148.06044	[M+H]+1
67	0.94	DL-glutamine	C5H10N2O3	146.06917	147.07652	[M+H]+1
68	2.103	D-pantothenic acid	C9H17NO5	219.11059	218.10326	[M-H]-1
69	34.858	Embelin	C17H26O4	294.18311	293.17584	[M-H]-1
70	3.611	Esculetin	C9H6O4	178.02651	179.03387	[M+H]+1
71	24.718	Eucommin A	C27H34O12	550.20478	549.19756	[M-H]-1
72	26.974	Eugenol	C10H12O2	164.0837	163.07642	[M-H]-1
73	17.608	Fisetin	C15H10O6	286.04721	287.05449	[M+H]+1
74	18.612	Geniposide pentaacetate	C27H34O15	598.18994	597.18258	[M-H]-1
75	8.037	Gentiopicrin	C16H20O9	356.1105	355.10316	[M-H]-1
76	24.803	Geranylacetone	C13H22O	194.16704	195.17432	[M+H]+1
77	0.96	Guanine	C5H5N5O	151.0494	152.05671	[M+H]+1
78	0.863	Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside	C18H32O16	504.16871	503.16147	[M-H]-1
79	41.901	Hex-2-ulose	C6H12O6	180.06339	179.05611	[M-H]-1
80	17.342	Kaempferol-7-O-glucoside	C21H20O11	448.10037	447.09309	[M-H]-1
81	9.024	Kanokoside A	C21H32O12	476.18911	475.18178	[M-H]-1
82	1.388	L-5-hydroxytryptophan	C11H12N2O3	220.08447	221.09174	[M+H]+1
83	0.879	L-alpha-glycerylphosphorylcholine	C8H20NO6P	257.10265	258.11002	[M+H]+1
84	38.348	Lauramide	C12H25NO	199.19362	200.20089	[M+H]+1
85	0.777	L-histidine	C6H9N3O2	155.06948	156.07677	[M+H]+1
86	0.946	L-phenylalanine	C9H11NO2	165.07898	166.08633	[M+H]+1
87	33.177	Lycofawcine	C18H29NO4	323.20957	324.21686	[M+H]+1
88	1.256	N-acetylornithine	C7H14N2O3	174.10042	175.10774	[M+H]+1
89	1.81	Nicotianamine	C12H21N3O6	303.14289	302.13559	[M-H]-1
90	1.08	Nicotinic acid	C6H5NO2	123.03201	124.03929	[M+H]+1
91	7.433	Paeonolide	C20H28O12	460.15782	459.15048	[M-H]-1
92	24.335	Phrymarolin I	C24H24O11	488.13166	487.12437	[M-H]-1
93	15.589	Plastoquinol-1	C13H18O2	206.13024	207.13792	[M+H]+1
94	1.719	Pyrogallol	C6H6O3	126.03169	127.03897	[M+H]+1
95	16.488	Quercetin	C15H10O7	302.04262	303.04989	[M+H]+1
96	20.471	Quercitrin	C21H20O11	448.1005	447.09305	[M-H]-1
97	5.225	Safrole	C10H10O2	162.06809	163.07536	[M+H]+1
98	13.685	Schaftoside	C26H28O14	564.14772	563.1404	[M-H]-1
99	22.646	Sorbifolin	C16H12O6	300.06295	301.0703	[M+H]+1
100	1.841	Trans-p-coumaraldehyde	C9H8O2	148.05237	149.05973	[M+H]+1
101	1.964	Umbelliferone	C9H6O3	162.03173	163.03901	[M+H]+1