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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).

From: Shoot differentiation from protocorm callus cultures of Vanilla planifolia (Orchidaceae): proteomic and metabolic responses at early stage

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)