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