Table 1 List of metabolites identified by ¹H NMR and two dimensional NMR experiments.

cis - Caffeoyl derivative

δ 5.91

(d, J = 13.0 Hz)

δ 6.89

(d, J = 8.5 Hz)

δ 6.95

(d, J = 13.0 Hz)

δ 7.56

(d, J = 8.5 Hz)

cis -Coumaroyl derivative

δ 5.93

(d, J = 13.0 Hz)

δ 6.83

(d, J = 9.5 Hz)

δ 7.02

(d, J = 13.0 Hz)

δ 7.58

(d, J = 9.5 Hz)

trans -caftaric acid (caffeic acid conjugated with tartaric acid)

δ 7.64/δ 7.15

(d, J = 16.0 Hz)/(d, J = 2.0 Hz)

δ 7.07

(dd, J = 8.5 Hz, 2.0 Hz)

δ 6.88

(d, J = 8.5 Hz)

δ 6.38

(d, J = 16.0 Hz)

δ 5.51

(s)

Sucrose

δ 5.39

(d, J = 3.9 Hz)

α-Glucose

δ 5.17

(d, J = 3.5 Hz)

β-Glucose

δ 4.56

(d, J = 7.5 Hz)

Tartaric acid

δ 4.50

(s)

Malic acid

δ 2.67

(dd, J = 16.0, 7.0)

δ 2.82

(dd, J = 16.0, 4.5)

δ 4.43

(dd, J = 7.0, 4.5)

Choline

δ 3.22

(s)

Citric acid

δ 2.93

(d, J = 16.0 Hz)

δ 2.76

(d, J = 16.0 Hz)

Succinic acid

δ 2.62

(s)

Proline

δ 2.35

(m)

δ 3.37

(m)

Glutamate

δ 2.44

(td, J = 16.2, 7.5)

δ 2.13

(m)

Acetic acid

δ 1.91

(s)

Arginine

δ 1.92

(m)

δ 1.72

(m)

Alanine

δ 1.48

(d, J = 7.4 Hz)

Threonine

δ 1.32

(d, J = 6.5 Hz)

ethyl-β -glucoside

δ 1.21

(t, J = 7)

Valine

δ 1.06

(d, J = 7.0 Hz)

δ 1.01

(d, J = 7.0 Hz)

Leucine

δ 0.96

(d, J = 7.5)

δ 0.98

(d, J = 7.5)

Trace amounts

γ-Aminobutyric acid (GABA)

δ 1.90

(m)

δ 2.31

(t, J = 7.5)

δ 3.01

(t, J = 7.5)

α-Linolenic acid

δ 0.95

(t, J = 7.5)

Trace amounts

Gallic acid

δ 7.03

(s)

Trace amounts

Ascorbic acid

δ 4.59

(d. J = 2.0 Hz)

Syringic acid

δ 3.89

(s)

δ 7.31

(s)

Trace amounts

Vanillic acid

δ 6.77/δ 7.22

(d, J = 8.2)/(m)

Methionine

δ 2.15

(s)

δ 2.65

(t, J = 8.0)