This version is not peer-reviewed.
Submitted:
05 July 2023
Posted:
10 July 2023
You are already at the latest version
supplementary.docx (617.35KB )
CPC | Centrifugal Partition Chromatography |
NMR | Nuclear Magnetic Resonance |
HCA | Hierarchical Clustering Analysis |
BV | Bed Volume |
TLC | Thin Layer Chromatography |
HSQC | Heteronuclear single quantum coherence |
HMBC | Heteronuclear multiple-bond coherence |
COSY | Correlated Spectroscopy |
LC-MS | Liquid Chromatography Mass Spectra |
FC | Fold Changes |
CLDN1 | Claudin 1 |
CNFN | Cornifelin |
DSG1 | Desmoglein 1 |
KLK7 | Kallikrein-related peptidase 7 |
TJP1 | Tight junction protein 1 |
EREG | Epiregulin |
HAS3 | Hyaluronic acid synthase 3 |
HBEGF | Heparin-binding EGF-like growth factor |
KRT19 | Keratin 19 |
KRT10 | Keratin 10 |
SPRR1A | Small prolin-rich protein A1 |
TGM1 | Transglutaminase 1 |
GPX2 | Glutathione peroxidase 2 |
HMOX1 | Heme oxygenase 1 |
PPAR | peroxisome proliferator-activated receptor-α |
Retention time (min) | Observed m/z | Elemental composition | Δppm | Tentative identification |
---|---|---|---|---|
1.6 | 285.0815 | C9H17O10 | -2.5 | Not assigned |
1.8 | 195.0505 [M-H]- | C6H11O7 | 0.0 | Hexonic acid |
1.9 | 191.0555 [M-H]- | C7H11O6 | -0.5 | Quinic acid |
2.2 | 341.1089 [M-H]- | C12H21O11 | 1.5 | Saccharose* |
4.6 | 331.0664 [M-H]- | C13H15O10 | 0.0 | Mono-O-galloyl-hexoside isomer 1 |
4.9 | 331.0665 [M-H]- | C13H15O10 | -0.3 | Mono-O-galloyl-hexoside isomer 2 |
5.1 | 339.1292 | C13H23O10 | 0.3 | Not assigned |
5.2 | 169.0137 [M-H]- | C7H5O5 | 0.0 | Gallic acid* |
5.4 | 483.0783 [M-H]- | C20H19O14 | 1.7 | Di-O-galloyl-hexoside isomer 1 |
5.8 | 331.0667 [M-H]- | C13H15O10 | 0.6 | Mono-O-galloyl-hexoside isomer 3 |
6.1 | 483.0775 [M-H]- | C20H19O14 | 0.2 | Di-O-galloyl-hexoside isomer 2 |
6.3 | 315.0715 [M-H]- | C13H15O9 | -0.3 | Dihydroxybenzoic acid O-hexoside |
7.7 | 319.0423 [M-H]- | C15H11O8 | -9.7 | Dihydromyricetin |
7.8 | 483.0775 [M-H]- | C20H19O14 | 0.0 | Di-O-galloyl-hexoside isomer 3 |
8.0 | 785.0839 [M-H]- | C34H25O22 | 0.3 | Tellimagrandin I* or isomer |
8.2 | 635.0889 [M-H]- | C27H23O18 | 0.8 | Tri-O-galloyl-hexoside |
8.3 | 451.1010 [M-H]- | C24H19O9 | -4.2 | Coumaroylepigallocatechin |
8.4 | 375.0694 191.0556 quinic acid fragment |
C18H15O9 C7H11O6 |
-5.9 0.0 |
Not assigned |
8.5 | 289.0714 909.0999, 785.0842, 454.0461 |
C15H13O6 | 0.7 | Catechin |
8.8 | 953.0895 [M-H]- 909.0999 [M-COOH]- 785.0837, 465.0367, 454.0460 |
C41H29O27 C40H29O25 C34H25O22 |
-0.1 0.0 |
Chebulagic acid or isomer |
8.9 | 785.0840 [M-H]- | C34H25O22 | 0.4 | Tellimagrandin I* or isomer |
9.3 | 319.0431 | C15H11O8 | Not assigned | |
9.7 | 339.0718 | C15H15O9 | 0.6 | Not assigned |
9.8 | 359.0745 337.0925 coumaroylquinic acid 191.0556 quinic acid fragment |
C18H15O8 C16H17O8 C7H11O6 |
Not assigned | |
9.9 | 785.0845 [M-H]- 481.1118, 491.1403, 625.1407 |
C34H25O22 |
1.0 | Minor isomer of tellimagrandin I |
10.1 | 935.0803 [M-H]- 467.0357 [M-H-3galloyl]- |
C41H27O26 |
1.3 | Casuarinin or Casuarictin |
10.2 | 1105.1012 [M-H]- 1061.1110 fragment of Rugosin D 936.0874 [M-2H]2- 530.0513 fragment of rugosin A 541.0423 |
C48H33O31 C47H33O29 |
0.5 0.2 |
Rugosin A Rugosin D |
10.4 | 937.0955 [M-H]- 959.0774, 479.0345, 468.0435 |
C41H29O26 | 0.9 | Tellimagrandin II* |
10.8 | 935.0800 [M-H]- 787.1003 [M-H-galloyl]- 467.0357 [M-H-3galloyl]- 303.0485 [M-H-4galloyl]- |
C41H27O26 | 1.0 | Casuarinin or Casuarictin |
10.9 | 687.3029 [M-H]- | xx | xx | Not assigned |
11.0 | 609.1450 [M-H]- | C27H29O16 | -1.0 | Rutoside* |
11.3 | 197.0454 [M-H]- | C9H9O5 | 2.0 | Syringic acid |
11.4 | 463.0877 [M-H]- | C21H19O12 | 0.0 | Quercetin O-hexoside isomer 1 |
11.5 | 463.0876 [M-H]- 301.0348 quercetin fragment |
C21H19O12 | -0.2 | Quercetin O-hexoside isomer 2 |
11.9 | 593.1505 [M-H]- 1087.0900 [2M-H]- 285.0396 kaempferol fragment |
C27H29O15 | -0.2 | Kaempferol O-hexoside-rhamnoside |
11.9 | 433.0771 [M-H]- | C20H17O11 | 0.0 | Quercetin O-pentoside |
12.1 | 447.0930 [M-H]- | C21H19O11 | 0.0 | Quercetin O-rhamnoside |
12.2 | 477.1034 [M-H]- | C22H21O12 | 0.2 | Methyl-quercetin O-hexoside |
12.3 | 433.0772 [M-H]- 301.0353 quercetin fragment |
C20H17O11 | 0.2 | Quercetin O-pentoside |
12.4 | 447.0927 [M-H]- | C21H19O11 | 0.0 | Quercetin O-rhamnoside |
12.5 | 477.1031 [M-H]- | C22H21O12 | -0.4 | Methyl-quercetin O-hexoside |
12.7 | 463.0882 301.0353 quercetin fragment |
C21H19O12 | 1.1 | Spiraeoside* (Quercetin O-hexoside isomer 3) |
12.8 | 601.0827 [M-H]- 301.0347 quercetin fragment |
C27H21O16 | -0.5 | Quercetin O-galloyl-pentoside |
13.0 | 447.0922 [M-H]- 285.0389 kaempferol fragment |
C21H19O11 | -1.1 | Kaempferol 4’-O-glucoside* |
13.2 | 519.1136 465.1031 |
C24H23O13 C21H21O12 |
-0.6 -0.4 |
Not assigned |
13.4 | 615.0984 [M-H]- | C28H23O16 | -0.3 | Quercetin O-galloyl-hexoside |
13.8 | 585.0880 [M-H]- 301.0350 quercetin fragment |
C27H21O15 C15H9O7 |
0.9 0.7 |
Quercetin O-galloyl-arabinoside |
14.2 | 297.0399 [M-H]- | C16H9O6 | -7.1 | Not assigned |
14.9 | 301.0348 [M-H]- | C15H9O7 | 1.0 | Quercetin* |
16.1 | 271.0606 [M-H]- | C15H11O5 | 0.4 | Naringenin* |
16.2 | 285.0399 [M-H]- | C15H9O6 | 1.1 | Kaempferol* |
16.5 | 329.2329 | C18H33O5 | 0.3 | Tri-HOME (trihydroxyyoctadecenoic acid) |
16.9 | 287.222 | C16H31O4 | 1.5 | Dihydroxypalmitic acid |
Disclaimer/Publisher’s Note: The statements, opinions and data contained in all publications are solely those of the individual author(s) and contributor(s) and not of MDPI and/or the editor(s). MDPI and/or the editor(s) disclaim responsibility for any injury to people or property resulting from any ideas, methods, instructions or products referred to in the content. |
Altmetrics
Downloads
144
Views
69
Comments
0
Subscription
Notify me about updates to this article or when a peer-reviewed version is published.
© 2025 MDPI (Basel, Switzerland) unless otherwise stated