Table 1 Molecular structure, SMILES, and physicochemical characteristics of the substances used in this study.

6-gingerol

C₁₇H₂₆O₄

Canonical SMILES:

CCCCCC(CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

Isomeric SMILES:

CCCCC[C@@H](CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

>98%

Qin Health Industry (Shaanxi, China)

8-gingerol

C₁₉H₃₀O₄

Canonical SMILES:

CCCCCCCC(CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

Isomeric SMILES:

CCCCCCC[C@@H](CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

>98%

Qin Health Industry (Shaanxi, China)

10-gingerol C₂₁H₃₄O₄

Canonical SMILES:

CCCCCCCCCC(CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

Isomeric SMILES:

CCCCCCCCC[C@@H](CC(= O)CCC1 = CC(= C(C = C1)O)OC)O

>98%

Qin Health Industry (Shaanxi, China)

6-shogaol C₁₇H₂₄O₃

Canonical SMILES:

CCCCCC = CC(= O)CCC1 = CC(= C(C = C1)O)OC

Isomeric SMILES:

CCCCC/C = C/C(= O)CCC1 = CC(= C(C = C1)O)OC

>98%

Qin Health Industry (Shaanxi, China)

Choline cloride C₅H₁₄O₃

Canonical SMILES:

C[N+](C)(C)CCO.[Cl-]

> 99%

Qin Health Industry (Shaanxi, China)

Betaine C₅H₁₁NO₂

Canonical SMILES:

C[N+](C)(C)CC(= O)[O-]

> 99%

Qin Health Industry (Shaanxi, China)

L-Carnitine C₇H₁₅NO₃

Canonical SMILES:

C[N+](C)(C)CC(CC(= O)[O-])O

Isomeric SMILES:

C[N+](C)(C)C[C@@H](CC(= O)[O-])O

> 99%

Qin Health Industry (Shaanxi, China)

Citric acid C₆H₈O₇

Canonical SMILES:

C(C(= O)O)C(CC(= O)O)(C(= O)O)O

> 99%

Merck (United States)

Maleic Acid C₄H₄O₄

Canonical SMILES:

C(= CC(= O)O)C(= O)O

Isomeric SMILES:

C(= C\C(= O)O)\C(= O)O

> 99%

Merck (United States)

Lactic Acid C₃H₆O₃

Canonical SMILES:

CC(C(= O)O)O

> 99%

Merck (United States)

Tartaric Acid C₄H₆O₆

Canonical SMILES:

C(C(C(= O)O)O)(C(= O)O)O

> 99%

Merck (United States)

Oxalic Acid C₂H₂O₄

Canonical SMILES:

C(= O)(C(= O)O)O

> 99%

Merck (United States)