Table 1 The characterized metabolites originating from the ethyl acetate extract of B. subcupularis.

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

1.13

D-saccharose

[M−H]−

341.109

(59, 113, 164, 202, 244)

C12H22O11

(2.93)

33

2

1.17

D-trehalose

[M+HCOO]−

387.115

(59, 89, 119, 179, 341)

C12H22O11

(2.58)

34

3

1.35

malic acid

[2 M+Na−2H]−

289.018

(71, 115, 133)

C4H6O5

(3.46)

35

4

4.09

gallic acid

[M−H]−

169.014

(51, 79, 125)

C7H6O5

(0.00)

36

5

5.61

1,6-di-O-gallyol-β-D-glucose

[M−H]−

483.076

(169, 271, 331)

C20H20O14

(− 2.07)

37

6

6.25

strictinin

[M−H]−

633.073

(193, 300, 483)

C27H22O18

(0.00)

38

7

6.28

1-O-vanilloyl-β-D-glucose

[M−H]−

329.088

(59, 71, 89, 101, 151, 167, 209)

C14H18O9

(3.04)

39

8

7.57

1,3,6-tri-O-galloyl-β-D-glucose

[M−H]−

635.086

(169, 295, 483)

C27H24O18

(− 3.15)

40

9

8.21

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

[M−H]−

787.099

(169, 295, 465, 635)

C34H28O22

(0.00)

41

10

8.34

6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose

[M+Cl]−

477.103

(125, 169, 313)

C22H22O12

(0.00)

42

11

8.37

pyracanthoside

[M−H]−

449.109

(151, 287)

C21H22O11

(2.23)

43

12

8.47

lariciresinol-4-O-β-D-glucoside

[M−H]−

521.202

(175, 329)

C26H34O11

(0.00)

44

13

8.89

pentagalloyl glucose

[M−H]−

939.108

(769)

C41H32O26

(− 2.13)

45

14

9.19

1,6-di-O-galloyl-2-O-p-coumaroyl-β-D-glucose

[M−H]−

629.112

(169, 477)

C29H26O16

(− 3.18)

GNPS libraries

15

9.26

luteolin-7-O-glucoside

[M−H]−

447.092

(151, 285)

C21H20O11

(− 2.24)

46

16

9.41

(6R,7R,8S)-isolariciresinol

[M−H]−

359.15

(109, 159, 203, 241, 313, 344)

C20H24O6

(2.78)

47

17

9.56

ellagic acid

[M−H]−

300.998

(145, 185, 229)

C14H6O8

(0.00)

48

18

9.67

rosmarinic acid

[M−H]−

359.077

(72, 133, 161, 179)

C18H16O8

(0.00)

47

19

9.72

azelaic acid

[M−H]−

187.098

(57, 97, 125)

C9H16O4

(5.34)

49

20

9.98

phloretin

[M−H]−

273.076

(81, 167, 214)

C15H14O5

(0.00)

50

21

9.98

naringenin

[M−H]−

271.061

(65, 83, 119, 151, 177, 229)

C15H12O5

(0.00)

51

22

9.98

phloridizin

[M−H]−

435.128

(167, 273)

C21H24O10

(− 2.30)

52

23

10.10

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

[M−H]−

461.109

(125, 169, 211, 313, 401)

C22H22O11

(2.17)

GNPS libraries

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