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Table 3 Identified Metabolites in plasma, urine and feces of aqueous extract in CD and its processed products

From: Chemical profiles and metabolite study of raw and processed Cistanche deserticola in rats by UPLC-Q-TOF-MSE

No. rtmed Measured mass Error (mDa) Formula Distribution Identification Status
1 0.77 179.0389 4.4 C9H8O4 U(CD, CD-NP, CD-HP)
F(CD-NP, CD-HP)
Caffeic acid Metabolites
2 0.81 149.0653 5.0 C9H9O2 U(CD, CD-NP, CD-HP) 3-phenylpropionic acid Metabolites
3 0.93 195.0623 -3.5 C10H12O4 U(CD)
S(CD-NP)
F(CD-HP)
Methylated 3,4-dihydroxybenzenepropionic acid Metabolites
4 1.02 193.0524 2.3 C10H10O4 U(CD, CD-NP, CD-HP) Methylated caffeic acid Metabolites
5 1.18 167.0762 5.4 C9H12O3 U(CD-NP) Methylated HT Metabolites
6 3.31 185.117 − 0.8 C10H18O3 U(CD, CD-HP)
F(CD-HP)
Ajugol deglycosylation product Metabolites
7 3.52 167.0536 − 0.9 C8H8O4 U(CD-NP) HT oxidation Metabolites
8 4.48 361.1491 − 0.8 C16H26O9 U(CD, CD-NP, CD-HP)
F(CD-HP)
Hydroxylated kankanoside A or isomer Metabolites
9 4.70 541.1144 − 8.3 C20H30O15S S(CD-NP, CD-HP)
F(CD-HP)
Decaffeoylacteoside sulfate conjugation Metabolites
10 4.73 153.0504 − 4.8 C8H10O3 U(CD, CD-NP, CD-HP)
F(CD-NP, CD-HP)
HT Metabolites
11 4.85 123.0821 1.1 C8H12O U(CD, CD-NP, CD-HP)
F(CD, CD-HP)
Geniposide hydrolysated product Metabolites
12 5.14 246.9911 − 1.4 C8H8O7S U(CD, CD-NP, CD-HP)
F(CD-NP)
3,4-dihydroxyphenylacetic acid sulfate conjugation Metabolites
13 5.23 361.1471 − 2.8 C16H26O9 U(CD, CD-NP, CD-HP)
F(CD-NP, CD-HP)
Hydroxylated kankanoside A or isomer Metabolites
14 5.35 313.0962 3.9 C14H18O8 U(CD, CD-NP, CD-HP)
F(CD-NP, CD-HP)
Tyrosol glucuronide conjugation Metabolites
15 5.63 217.0138 − 3.3 C8H10O5S U(CD, CD-NP, CD-HP)
F(CD-NP, CD-HP)
Tyrosol sufate conjugation Metabolites
16 5.73 329.0851 − 2.2 C14H18O9 U(CD, CD-NP, CD-HP) HT-glucuronide conjugation Metabolites
17 5.98 233.0170 − 5.0 C8H10O6S U(CD, CD-NP, CD-HP)
F(CD, CD-NP, CD-HP)
HT sulfate conjugation Metabolites
18 6.54 185.1114 − 6.4 C10H18O3 U(CD, CD-NP, CD-HP)
F(CD-HP)
Deglycosylated kankanoside N Metabolites
19 6.76 261.0084 1.5 C9H10O7S U(CD, CD-NP, CD-HP)
F(CD-NP)
3,4-dihydroxybenzenepropionic acid sulfate conjugation Metabolites
20 7.01 183.1085 6.4 C10H16O3 U(CD, CD-NP, CD-HP) Deglycosylated kankanoside A or isomer Metabolites
21 7.16 461.1605 − 5.4 C20H30O12 F(CD-NP) Decaffeoylacteoside Proto
22 7.19 247.0278 0.1 C9H12O6S U(CD, CD-NP, CD-HP) Methylated HT sulfate conjugation Metabolites
23 7.28 345.1476 − 7.3 C16H25O8 U(CD, CD-NP, CD-HP)
S(CD, CD-NP)
Kankanoside A or isomer Proto
24 7.57 215.0024 0.2 C8H8O5S U(CD-HP) HT sulfate conjugation dehydration product Metabolites
25 7.69 355.0704 3.9 C15H16O10 U(CD-HP)
S(CD)
CA glucuronide conjugation Metabolites
26 7.78 343.1037 0.8 C15H20O9 U(CD, CD-NP, CD-HP) Methylated HT glucuronide conjugation Metabolites
27 7.81 258.994 1.5 C9H8O7S U(CD, CD-NP, CD-HP) CA sulfate conjugation Metabolites
28 8.19 375.1284 − 0.7 C16H24O10 U(CD, CD-NP, CD-HP) 8-epilogani acid Proto
29 8.52 245.0125 0.5 C9H10O6S U(CD, CD-NP, CD-HP)
F(CD-HP)
3-HPP sulfate conjugation Metabolites
30 8.53 193.0531 0.8 C10H10O4 U(CD, CD-NP, CD-HP) Geniposidic acid deglycosylation dehydration product Metabolites
31 8.90 341.0942 6.9 C15H17O9 U(CD, CD-NP, CD-HP) 3-HPP glucuronide conjugation Metabolites
32 9.02 242.9951 − 2.1 C9H7O6S U(CD, CD-NP, CD-HP) Dehydroxylated CA sulfate conjugation Metabolites
33 9.06 181.0491 − 1.0 C9H10O4 U(CD, CD-NP, CD-HP)
F(CD, CD-NP, CD-HP)
3,4-dihydroxybenzenepropionic acid Metabolites
34 9.08 151.0352 − 4.3 C8H8O3 U(CD, CD-NP, CD-HP) Catalpol deglycosylated dehydration product Metabolites
35 9.58 273.0064 − 0.5 C10H9O7S U(CD, CD-NP, CD-HP) Methylated CA sulfate conjugation Metabolites
36 10.02 275.0209 − 1.6 C10H12O7S U(CD-NP, CD-HP) Methoxylated 3-HPP sulfate conjugation Metabolites
37 10.13 583.1320 − 1.3 C22H32O16S U(CD, CD-NP, CD-HP) Cistanoside H sulfate conjugation Metabolites
38 10.28 299.1108 − 2.3 C14H19O7 U(CD-HP) Salidroside Proto
39 10.4 163.04 0.5 C9H8O3 U(CD, CD-NP, CD-HP)
S(CD, CD-HP)
F(CD, CD-NP, CD-HP)
Dehydroxylated CA Metabolites
40 10.91 199.0641 3.5 C9H10O5 U(CD-NP) Catalpol hydrolysated product Metabolites
41 11.17 521.1816 − 5.4 C22H33O14 U(CD-HP) 6-deoxycatalpol glucuronide conjugation Metabolites
42 11.29 165.0558 0.6 C9H10O3 U(CD, CD-NP, CD-HP)
F(CD, CD-NP, CD-HP)
3-HPP Metabolites
43 11.31 332.1479 0.8 C15H24O8 U(CD, CD-NP, CD-HP) Gluroside Proto
44 11.31 211.0665 5.8 C10H12O5 U(CD, CD-NP, CD-HP)
F(CD, CD-NP, CD-HP)
Deglycosylated geniposidic acid Metabolites
45 12.15 169.0487 − 1.4 C8H8O4 U(CD, CD-NP, CD-HP) Catalpol deglycosylated product Metabolites
46 12.15 785.2552 4.8 C35H45O20 F(CD, CD-NP, CD-HP) Echinacoside Proto
47 13.66 345.1571 2.2 C16H25O8 U(CD, CD-NP, CD-HP)
S(CD-NP)
6-deoxycatapol Proto
48 13.95 489.1514 − 9.4 C21H29O13 U(CD-HP) Cistanoside F reduction Metabolites
49 14.40 487.1480 2.8 C21H27O13 F(CD, CD-NP) Cistanoside F Proto
50 14.53 347.1747 − 4.1 C16H27O8 U(CD, CD-HP) Kankanoside N Proto
51 14.55 477.1193 − 0.4 C23H26O11 U(CD-HP) Calceolarisolide A Proto
52 14.84 315.1174 9.4 C14H20O8 F(CD-NP) 3,4-dihydroxyphenethyl glycoside Metabolites
53 15.03 197.0833 1.9 C10H13O4 U(CD, CD-NP, CD-HP) Deglycosylation products of 8-epideoxyloganic acid Metabolites
54 16.43 230.9984 1.0 C8H8O6S U(CD, CD-HP)
F(CD-NP)
4-phenylacetic acid sulfate conjugate Metabolites