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Table 1 Details of phytochemicals tentatively identified in C. graveolens using LC–ESI–MS/MS based molecular based networking analysis

From: LC–ESI–MS/MS-based molecular networking, antioxidant, anti-glioma activity and molecular docking studies of Clematis graveolens

S/No

Compound name

RT (min)

[M-H]−m/z

MS2 fragmentation ions

Molecular formula

Exact mass

Crude Extract of C. graveolens

1

Schaftoside

3.73

563.23

443.10 (100), 473.11, 353.06, 383.08

C26H28O14

564.147

2

methoxy-myricetin-3-O-hexosyl-7-O-deoxyhexosyl (1–2) deoxyhexoside

3.83

787.17

623.16 (100), 315.01, 608.13, 331.04

C34H42O21

786.221

3

5-hydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl] oxychromen-4-one (Iridin)

3.90

521.21

358.81 (100), 461.20, 388.92

C24H26O13

522.137

4

Rutin

3.92

609.14

298.05 (100), 299.05, 607.17, 300.06

C27H30O16

610.153

5

Vitexin

3.95

431.11

310.61 (100), 268.44, 340.70

C21H20O10

432.105

6

Isoquercetin

4.00

463.08

300.54 (100), 299.61, 301.44

C21H20O12

464.095

7

Sissotrin

4.21

447.09

283.04 (100), 284.07, 445.12

C22H22O10

446.121

8

Kaempferol-3-O-rutinoside

4.22

593.15

284.49 (100), 283.62, 256.45

C27H30O15

594.158

9

Prunin

4.42

435.42

274.5 (100), 392.02, 418.03

C21H22O10

434.121

10

Rhoifolin

4.90

579.13

269.45 (100), 270.43, 432.98, 311.60

C27H30O14

578.163

11

Elatoside E

5.80

881.54

603.59 (100), 749.89, 750.90, 471.27

C46H74O16

882.497

12

Ceanothic acid

6.07

485.27

416.81(100), 450.18, 424.86,

C30H46O5

486.334

13

Isorhamnetin-3,7-di-O-glucoside

6.33

638.32

476.34 (100), 278.75, 518.40

C28H32O17

640.163

14

(2-aminoethoxy) [(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy] phosphinic acid

6.67

452.27

255.24 (100), 196.05, 214.05

C21H42NO7P

451.269

15

N-hexadecanoyl-sn-glycero-3-phosphoethanolamine

6.67

453.28

255.24 (100), 255.85, 196.05

C21H43NO7P

453.285

16

Ginsenoside Rb3

9.49

1121.64

1077.57 (100), 1078.62, 1076.6

C53H90O22

1078.592

17

Ginsenoside Rb2

9.53

1121.65

1077.42 (100), 1078.31, 1076.69, 1091.36

C53H90O22

1078.592

n-Hexane fraction

18

Homoarginine

2.27

190.92

146.07 (100), 161.54, 145.18

C7H16N4O2

188.127

1*

Schaftoside

3.73

563.23

443.10 (100), 473.11, 353.06, 383.08

C26H28O14

564.147

4*

Rutin

3.92

609.14

298.05 (100), 299.05, 607.17, 300.06

C27H30O16

610.153

5*

Vitexin

3.95

431.11

310.61 (100), 268.44, 340.70

C21H20O10

432.105

6*

Isoquercetin

4.00

463.08

300.54 (100), 299.61, 301.44

C21H20O12

464.095

7*

Sissotrin

4.21

447.09

283.04 (100), 284.07, 445.12

C22H22O10

446.121

8*

Kaempferol-3-O-rutinoside

4.22

593.15

284.49 (100), 283.62, 256.45

C27H30O15

594.158

10*

Rhoifolin

4.90

579.13

269.45 (100), 270.43, 432.98, 311.60

C27H30O14

578.163

19

9,12,13-trihydroxyoctadeca-10,15-dienoic acid

4.97

327.21

228.80 (100), 171.15, 290.88

C18H32O5

328.224

11*

Elatoside E

5.80

881.54

603.59 (100), 749.89, 750.90, 471.27

C46H74O16

882.497

12*

Ceanothic acid

6.07

485.27

416.81(100), 450.18, 424.86,

C30H46O5

486.334

13*

Isorhamnetin-3,7-di-O-glucoside

6.33

638.32

476.34 (100), 278.75, 518.40

C28H32O17

640.163

14*

(2-aminoethoxy) [(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy] phosphinic acid

6.67

452.27

255.24 (100), 196.05, 214.05

C21H42NO7P

451.269

15*

N-hexadecanoyl-sn-glycero-3-phosphoethanolamine

6.67

453.28

255.24 (100), 255.85, 196.05

C21H43NO7P

453.285

20

Phosphatidylethanolamine lyso

7.47

451.17

254.60 (100), 420.31, 362.15

C21H44NO7P

453.285

Chloroform fraction

18*

Homoarginine

2.27

190.92

146.07 (100), 161.54, 145.18

C7H16N4O2

188.127

3*

5-hydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl] oxychromen-4-one (Iridin)

3.90

521.21

358.81 (100), 461.20, 388.92

C24H26O13

522.137

4**

Rutin

3.92

609.14

298.05 (100), 299.05, 607.17, 300.06

C27H30O16

610.153

21

Methyl robustone

4.07

377.16

346.80 (100), 344.74,345.76

C22H18O6

378.110

19*

9,12,13-trihydroxyoctadeca-10,15-dienoic acid

4.97

327.21

228.80 (100), 171.15, 290.88

C18H32O5

328.224

11**

Elatoside E

5.80

881.54

603.59 (100), 749.89, 750.90, 471.27

C46H74O16

882.497

14**

(2-aminoethoxy) [(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy] phosphinic acid

6.67

452.27

255.24 (100), 196.05, 214.05

C21H42NO7P

451.269

15**

N-hexadecanoyl-sn-glycero-3-phosphoethanolamine

6.67

453.28

255.24 (100), 255.85, 196.05

C21H43NO7P

453.285

16*

Ginsenoside Rb3

9.49

1121.64

1077.57 (100), 1078.62, 1076.6

C53H90O22

1078.592

17**

Ginsenoside Rb2

9.53

1121.65

1077.42 (100), 1078.31, 1076.69, 1091.36

C53H90O22

1078.592

Ethyl acetate fraction

22

(2-[2,6-dimethylphenyl)-methoxy acetylamino] propionic acid

3.35

266.13

160.11 (100), 148.11, 192.14

C14H18NO4

265.131

3**

5-hydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl] oxychromen-4-one (Iridin)

3.90

521.21

358.81 (100), 461.20, 388.92

C24H26O13

522.137

4***

Rutin

3.92

609.14

298.05 (100), 299.05, 607.17, 300.06

C27H30O16

610.153

5**

Vitexin

3.95

431.11

310.61 (100), 268.44, 340.70

C21H20O10

432.105

6**

Isoquercetin

4.00

463.08

300.54 (100), 299.61, 301.44

C21H20O12

464.095

7**

Sissotrin

4.21

447.09

283.04 (100), 284.07, 445.12

C22H22O10

446.121

8**

Kaempferol-3-O-rutinoside

4.22

593.15

284.49 (100), 283.62, 256.45

C27H30O15

594.158

9*

Prunin

4.42

435.42

274.5 (100), 392.02, 418.03

C21H22O10

434.121

10**

Rhoifolin

4.90

579.13

269.45 (100), 270.43, 432.98, 311.60

C27H30O14

578.163

23

Isovitexin

5.36

431.22

315.68 (100), 368.39, 310.61

C21H20O10

432.105

24

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl) chromen-4-one

5.42

537.08

375.05 (100), 417.06, 376.05,

C30H18O10

538.089

11***

Elatoside E

5.80

881.54

603.59 (100), 749.89, 750.90, 471.27

C46H74O16

882.497

n-Butanol fraction

1**

Schaftoside

3.73

563.23

443.10 (100), 473.11, 353.06, 383.08

C26H28O14

564.147

2*

methoxy-myricetin-3-O-hexosyl-7-O-deoxyhexosyl (1–2) deoxyhexoside

3.83

787.17

623.16 (100), 315.01, 608.13, 331.04

C34H42O21

786.221

3***

5-hydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl] oxychromen-4-one (Iridin)

3.90

521.21

358.81 (100), 461.20, 388.92

C24H26O13

522.137

4****

Rutin

3.92

609.14

298.05 (100), 299.05, 607.17, 300.06

C27H30O16

610.153

5***

Vitexin

3.95

431.11

310.61 (100), 268.44, 340.70

C21H20O10

432.105

6***

Isoquercetin

4.00

463.08

300.54 (100), 299.61, 301.44

C21H20O12

464.095

8***

Kaempferol-3-O-rutinoside

4.22

593.15

284.49 (100), 283.62, 256.45

C27H30O15

594.158

9**

Prunin

4.42

435.42

274.5 (100), 392.02, 418.03

C21H22O10

434.121

25

Neohesperidin dihydrochalcone

4.44

611.32

449.17 (100), 431.14, 286.65

C28H36O15

612.205

26

Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e] isoindole-2,1'-naphthalen]-7'-yl acetate

5.17

489.26

442.22 (100), 383.20, 400.21

C25H33NO6

443.533

27

Melezitose

5.44

529.13

365.11 (100), 347.09, 527.16

C18H32O16

504.169

Aqueous fraction

28

[3-[(9Z,12Z)-octadeca-9,12-dienoyl] oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl] oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate

7.49

855.51

575.4 (100), 577.4, 412.99, 278.59

C45H76O13P

855.502

  1. **, ***, **** represent compounds observed in crude extract and also observed in one or two subsequent fractions, respectively
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Plant Methods

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