Table 1.
1H Chemical Shifts (δ), Coupling Constants (Hz) of CA4 d15 and CA10 d15 calli metabolites identified by references and using 1D and 2D NMR spectra (methanol-d4-KH2PO4 in D2 O, pH 6.0).
| No | Compound | Chemical shifts and coupling constants |
|---|---|---|
| 1 | Sucrose | δ 5.40 (H-1, d, J = 3.8 Hz), δ 4.17 (H-1', d, J = 8.6 Hz) |
| 2 | α-Glucose | δ 5.20 (H-1, d, J = 3.8 Hz) |
| 3 | β-Glucose | δ 4.59 (H-1, d, J = 7.9 Hz) |
| 4 | Asparagine | δ 2.82 (H-3a, dd, J = 17.0, 8.2 Hz), δ 2.95 (H-3b, dd, J = 17.0, 4.0 Hz) |
| 5 | Glutamine | δ 2.13 (H-4, m), δ 2.46 (H-3, m) |
| 6 | γ-aminobutyric acid (GABA) | δ 3.01 (H-4, t, J = 7.5 Hz), δ 2.30 (H-2, t, J = 7.5 Hz), δ 1.90 (H-3, q, J = 7.5 Hz) |
| 7 | Alanine | δ 1.48 (H-3, d, J = 7.2 Hz) |
| 8 | Valine | δ 1.01 (H-4, d, J = 6.8 Hz), δ 1.06 (H-5, d, J = 6.8 Hz) |
| 9 | p-coumaric acid | δ 7.80 (H-7, d, J = 16.0 Hz), δ 7.58 (H-3, H-5, d, J = 9.8 Hz), δ 6.91 (H-2, H-6, d, J = 9.8 Hz), δ 6.45 (H-8, d, J = 16.0 Hz) |
| 10 | p-hydroxybenzyl alcohol glucoside | δ 7.34 (H-3, H-5, d, J = 9.0 Hz), δ 7.11 (H-2, H-6, d, J = 9.0 Hz), δ 4.57 (H-7, s), δ 5.02 (H-1', d, J = 7.9 Hz) |
| 11 | bis [4-(β-D-glucopyranosyloxy)-benzyl]-2-isopropyltartrate (glucoside A) | δ 2.20 (m), δ 0.92 (d, J = 7.0 Hz), δ 0.86 (d, J = 7.0 Hz) |
| 12 | bis [4-(β-D-glucopyranosyloxy)-benzyl]-2-(2- butyl)tartrate (glucoside B) | δ 1.90 (m), δ 1.35 (m), 1.10 (m), δ 0.84 (d, J = 7.0 Hz), δ 0.77 (t, J = 15.0 Hz) |