Table 2 The characterized metabolites originated from the ethyl acetate extract of B. tobiracola.

From: Unveiling potent xanthine oxidase inhibitors in two Balanophora spp. using machine learning-based virtual screening and molecular docking approach

No

tR (min)

Compound name

Ion adduct

Precursor/Product ion (m/z)

Molecular formula (error in ppm)

References

1

4.49

strictinin

[M−H]−

633.073

(174, 300, 365, 404)

C27H22O18

(0.00)

38

2

5.96

1,6-di-O-gallyol-β-D-glucose

[M−H]−

483.077

(125, 169, 331)

C20H20O14

(0.00)

37

3

7.00

1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid

[M−H]−

357.062

(109, 159, 203, 269, 313)

C18H14O8

(2.80)

GNPS libraries

4

7.08

7-β-1-D-glucopyranosyl 11-methyl oleoside

[M−H]−

565.176

(59, 89, 223, 265)

C23H34O16

(− 1.77)

GNPS libraries

5

7.36

1,3,6-tri-O-galloyl-β-D-glucose

[M−H]−

635.088

(169, 295, 423, 483)

C27H24O18

(0.00)

40

6

7.49

secoxyloganin

[M−H]−

403.125

(59, 89)

C17H24O11

(2.48)

53

7

7.93

taxifolin

[M−H]−

303.051

(125, 175)

C15H12O7

(3.30)

54

8

8.33

lariciresinol-4-O-β-D-glucoside

[M−H]−

521.202

(89, 175, 329)

C26H34O11

(0.00)

44

9

8.35

1,2,4,6-tetra-O-galloyl-β-D-glucopyranoside

[M−H]−

787.098

(635)

C34H28O22

(− 1.27)

41

10

8.38

pyracanthoside

[M+Cl]−

485.085

(151, 287)

C21H22O11

(0.00)

43

11

8.56

luteolin-7-O-glucoside

[M−H]−

447.093

(151, 285)

C21H20O11

(0.00)

46

12

8.60

quercetin 7-O-β-D-glucopyranoside

[M−H]−

463.088

(301)

C21H20O12

(0.00)

55

13

8.90

secoisolariciresinol

[M−H]−

361.166

(96, 122, 165, 315)

C20H26O6

(− 2.77)

GNPS libraries

14

8.96

prunin

[M−H]−

433.114

(151, 271, 387)

C21H22O10

(2.31)

56

15

9.00

1-O-caffeoyl-6-O-(S)-brevifolincarboxyl-β-D-glucopyranose

[M−H]−

615.097

(169, 313, 465)

C28H24O16

(− 3.25)

GNPS libraries

16

9.10

1-O-(E)-cinnamoyl-4-galloyl-β-D-glucopyranose

[M−H]−

461.108

(169, 313)

C22H22O11

(0.00)

GNPS libraries

17

9.13

ellagic acid

[M−H]−

300.999

(117, 151, 173, 229, 283)

C14H6O8

(3.32)

48

18

9.68

oleuropein

[M−H]−

539.175

(89, 149, 275, 307, 377)

C25H32O13

(− 1.85)

GNPS libraries

19

9.83

phloridizin

[M−H]−

435.129

(167, 273)

C21H24O10

(0.00)

52

20

10.32

naringenin

[M−H]−

271.061

(65, 119, 151, 187)

C15H12O5

(0.00)

51

21

14.81

gingerglycolipid A

[M+HCOO]−

721.364

(89, 277, 397)

C33H56O14

(− 1.39)

57

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