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Table 1 list of metabolites identified in the polar extract of A. pubescens shoot

From: Metabolic profiling, in vitro propagation, and genetic assessment of the endangered rare plant Anarrhinum pubescens

–

Compound name

13C (ppm) from HSQC

1H (ppm) (functional group or specific H, multiplicity)

Coupling constant

J (Hz)

1

Acetate

26.14 (CH3)

1.90(CH3, s)

–

2

Alanine

18.93 (Cβ)

1.46 (Hβ, d)

7.25

53.5 (Cα)

3.77(Hα, q)

7.23

3

Arginine

26.6(Cγ)

1.64 (Hγ, m)

–

26.5(Cβ)

1.88 (Hβ, m)

–

57.03(Cα)

3.75 (Hα, m)

–

4

Asparagine

37.5 (Cβ)

2.94 (Hβ, dd)

4.16,16.8

 

2.85 (Hβ, dd)

7.74,16.8

5

Betaine

56.23 (CH3)

3.24 (CH3, s)

–

69.19 (CH2)

3.89 (CH2, s)

–

6

Choline

56.81 (Cγ)

3.19 (Hγ, s)

–

70.38 (Cβ)

3.50 (Hβ, m)

–

7

Dimethylamine

37.0 (CH3)

2.71(CH3, s)

–

8

Formate

–

8.44 (CH, s)

–

9

Fructose

71.95

3.98 (5CH, m)

–

78.20

4.12 (3CH, m)

–

10

Fumarate

138.12 (CH)

6.51 (CH, s)

–

11

Gallic acid

7.02 (CH)

112.119 (CH, s)

–

12

Glucose

74.41 (2αCH)

3.52 (2αCH, m)

–

72.58 (4CH)

3.40 (4CH, m)

–

63.70 (6CH)

3.74 (5βCH, m

–

98.92 (1αCH)

4.66 (1αCH, d)

7.86

13

Glutamine

29.08 (Cβ)

2.14 (Hβ, m)

–

57.09 (Cα)

3.76 (Hα, t)

6.40

14

Glycine

44.34 (Cα)

3.55 (Hα, s)

–

15

Homoserine

35.12 (C β)

2.02 (Hβ, m)

–

16

Isoleucine

17.54 (Cγ)

1.00 (Hγ, d)

7.01

26.83 (Cγ)

1.24 (Hγ, m)

–

17

myo-Inositol

77.0

3.3 (CH,t)

 

73.8

3.6(CH, t)

 

18

Mannitol

65.98

3.85 (CH2, dd)

 

73.48

3.76(CH, d)

 

19

Pyroglutamate

27.9 (Cβ)

2.4 (Hγ,m)

–

60.9 (Cα)

4.2(Hα, dd)

9.0, 5.9

20

Pyruvate

29.33 (CH3)

2.36 (CH3, s)

–

21

Succinate

37.14 (CH2)

2.39 (CH2, s)

–

22

Sucrose

72.1 (3CH)

3.48 (3CH, m)

–

64.2 (1CH2)

3.69 (1CH2, s)

–

79.8 (3CH)

4.22 (3CH, d)

8.82

95.1 (1CH)

5.42 (1CH, d)

3.90

23

trans-Aconitate

40.4 (CH2)

3.43 (CH2, s)

–

134.0 (CH)

6.56 (CH, s)

–

24

Trigonelline

148.2 (2CH)

9.10 (CH, s)

–

147.4 (4,6CH)

8.84 (CH, t)

 

130.5 (5CH)

8.08 (CH, t)

8.80 7.37

51.05 (1CH3)

4.4 (CH3, s)

 

25

Trimethylamine

47.3 (CH3)

2.87 (CH3, s)

–

26

Valine

20.83 (Cγ)

0.97 (Hγ, d)

7.02

19.53 (Cγ)

1.03 (Hγ, d)

7.00

27

Xanthine

140.3 (CH)

7.90 (CH, s)

–