药物

MolID

化合物

分子量

OB

DL

黄芪

H1

MOL000033

(24S)-24-Propylcholesta-5-ene-3beta-ol

428.82

36.23

0.78

H2

MOL000098

quercetin

302.25

46.43

0.28

H3

MOL000131

EIC

280.5

41.9

0.14

H4

MOL000211

Mairin

456.78

55.38

0.78

H5

MOL000239

Jaranol

314.31

50.83

0.29

H6

MOL000296

hederagenin

414.79

36.91

0.75

H7

MOL000354

isorhamnetin

316.28

49.6

0.31

H8

MOL000371

3,9-di-O-methylnissolin

314.36

53.74

0.48

H9

MOL000374

5'-hydroxyiso-muronulatol-2',5'-di-O-glucoside

642.67

41.72

0.69

H10

MOL000378

7-O-methylisomucronulatol

316.38

74.69

0.3

H11

MOL000379

9,10-dimethoxypterocarpan-3-O-β-D-glucoside

462.49

36.74

0.92

H12

MOL000380

(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H- benzofurano[3,2-c]chromen-3-ol

300.33

64.26

0.42

H13

MOL000381

13-hydroxy-9,11-octadecadienoic acid

296.5

35.6

0.17

H14

MOL000387

Bifendate

418.38

31.1

0.67

H15

MOL000392

formononetin

268.28

69.67

0.21

H16

MOL000398

isoflavanone

316.33

109.99

0.3

H17

MOL000401

astragalosideI

869.17

46.79

0.11

H18

MOL000403

astragalosideII

827.13

46.06

0.13

H19

MOL000405

astragalosideⅢ

785.09

31.83

0.1

H20

MOL000407

astragalosideⅣ

785.09

22.50

0.15

H21

MOL000414

Caffeate

180.17

54.97

0.05

H22

MOL000417

Calycosin

284.28

47.75

0.24

H23

MOL000418

3'-Hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside

446.44

10.05

0.81

H24

MOL000422

kaempferol

286.25

41.88

0.24

H25

MOL000432

linolenic acid

278.48

45.01

0.15

H26

MOL000433

FA

441.45

68.96

0.71

H27

MOL000434

acetylastragaloside I

911.21

43.54

0.09

H28

MOL000435

acetylastragaloside I_qt

749.05

30.75

0.17

H29

MOL000436

(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl) prop-2-en-1-one

256.27

87.51

0.15

H30

MOL000438

(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol

302.35

67.67

0.26

H31

MOL000439

isomucronulatol-7,2'-di-O-glucosiole

626.67

49.28

0.62

H32

MOL000442

1,7-Dihydroxy-3,9-dimethoxy pterocarpene

314.31

39.05

0.48

H33

MOL005928

isoferulic acid

194.2

50.83

0.06

H34

2-(Chloromethyl)-4-(4-Nitrophenyl)-1,3-Thiazole

254.693

当归

D1

MOL000125

(-)-alpha-Pinene

136.26

46.25

0.05

D2

MOL000162

beta-Chamigrene

204.39

31.99

0.08

D3

MOL000358

beta-sitosterol

414.79

36.91

0.75

D4

MOL000360

FER

194.2

39.56

0.06

D5

MOL000449

Stigmasterol

412.77

43.83

0.76

D6

MOL001273

80-57-9

150.24

50.63

0.06

D7

MOL002029

()-Cuparene

202.37

38.26

0.07

D8

MOL002033

cis-Thujopsene

204.39

56.43

0.12

D9

MOL002098

3-Butylidene-7-hydroxyphthalide

204.24

62.68

0.08

D10

MOL002111

BdPh

188.24

42.44

0.07

D11

MOL002143

senkyunolide-C

204.24

46.8

0.08

D12

MOL002144

senkyunolide-D

222.26

79.13

0.1

D13

MOL002145

senkyunolide-E

204.24

34.4

0.08

D14

MOL002201

cis-ligustilide

190.26

51.3

0.07

D15

MOL003587

Acoradiene

204.39

36.73

0.07

D16

MOL008251

sedanolide

194.3

62.46

0.07

D17

MOL008252

senkyunolide

192.28

68.28

0.07

D18

MOL008255

α-acoradiene

204.39

40.98

0.07

D19

MOL008256

(+)-Alpha-cedrene

204.39

55.56

0.1

D20

MOL008258

(1R,4R,5S)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene

204.39

40.65

0.07

D21

MOL008259

2,6-di(phenyl)thiopyran-4-thione

280.43

69.13

0.15

D22

MOL008265

2-valerylbenzoic acid

206.26

78.26

0.06

D23

MOL008277

7,10-PENTADECADIYNOIC ACID

234.37

41.5

0.09

D24

MOL008285

(3S)-3-butyl-3H-isobenzofuran-1-one

190.26

55.05

0.07

D25

MOL008286

()-Camphoric acid

200.26

99.13

0.07

D26

MOL008287

(3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one

204.24

42.17

0.08

D27

MOL002122

(Z)-Ligustilide

188.24

53.72

0.07

D28

MOL001941

Imperatorin

270.3

34.55

0.22

D29

MOL001942

isoimperatorin

270.3

45.46

0.23

D30

MOL013077

Decursin (D)

328.39

39.27

0.38

D31

Decursinol angelate (DA)

328.359

A

MOL000389

FERULIC ACID (CIS)

194.2

54.97

0.06