Exact Mass: 542.197247

Exact Mass Matches: 542.197247

Found 119 metabolites which its exact mass value is equals to given mass value 542.197247, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Deoxyloganin tetraacetate

Deoxyloganin tetraacetate

C25H34O13 (542.1999314)


   

8-Epideoxyloganin tetraacetate

8-Epideoxyloganin tetraacetate

C25H34O13 (542.1999314)


   

6-O-(3,4,5-trimethoxybenzoyl)-ajugol

6-O-(3,4,5-trimethoxybenzoyl)-ajugol

C25H34O13 (542.1999314)


   
   
   
   
   

(3S,4S)-3,4-trans-2,7-Dihydroxy-4-methoxy-4-[(3S)-2,7-dihydroxy-4-methoxyisoflavan-5-yl]isoflavan

(3S,4S)-3,4-trans-2,7-Dihydroxy-4-methoxy-4-[(3S)-2,7-dihydroxy-4-methoxyisoflavan-5-yl]isoflavan

C32H30O8 (542.194058)


   
   
   

(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan

(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan

C32H30O8 (542.194058)


   
   
   
   
   

Vestitol-(4->5)-vestitol

Vestitol-(4->5)-vestitol

C32H30O8 (542.194058)


   

erythro-4,7,9,5,9-pentahydroxy-3-methoxy-8-O-4-neolignan-3-O-beta-D-glucopyranoside

erythro-4,7,9,5,9-pentahydroxy-3-methoxy-8-O-4-neolignan-3-O-beta-D-glucopyranoside

C25H34O13 (542.1999314)


   

(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,6,9,15-pentaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran

(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,6,9,15-pentaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran

C25H34O13 (542.1999314)


   

C27H30N2O10

NCGC00385982-01_C27H30N2O10_

C27H30N2O10 (542.190036)


   

Cys Phe His His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

Cys His Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

Cys His His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C24H30N8O5S (542.205977)


   

Asp Asp Phe Phe

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C26H30N4O9 (542.201269)


   

Asp Phe Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C26H30N4O9 (542.201269)


   

Asp Phe Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-phenylpropanamido]butanedioic acid

C26H30N4O9 (542.201269)


   

Glu Glu Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C21H30N6O11 (542.197247)


   

Glu Glu His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C21H30N6O11 (542.197247)


   

Glu His Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C21H30N6O11 (542.197247)


   

Glu Met Thr Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Glu Met Tyr Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Glu Thr Met Tyr

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Glu Thr Tyr Met

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Glu Tyr Met Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Glu Tyr Thr Met

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Phe Cys His His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

Phe Asp Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C26H30N4O9 (542.201269)


   

Phe Asp Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-phenylpropanamido]butanedioic acid

C26H30N4O9 (542.201269)


   

Phe Phe Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid

C26H30N4O9 (542.201269)


   

Phe His Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

Phe His His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C24H30N8O5S (542.205977)


   

His Cys Phe His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

His Cys His Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C24H30N8O5S (542.205977)


   

His Glu Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

C21H30N6O11 (542.197247)


   

His Phe Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C24H30N8O5S (542.205977)


   

His Phe His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C24H30N8O5S (542.205977)


   

His His Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C24H30N8O5S (542.205977)


   

His His Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C24H30N8O5S (542.205977)


   

Met Glu Thr Tyr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Met Glu Tyr Thr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Met Thr Glu Tyr

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Met Thr Tyr Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

Met Tyr Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Met Tyr Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

Thr Glu Met Tyr

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Thr Glu Tyr Met

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Thr Met Glu Tyr

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Thr Met Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

Thr Tyr Glu Met

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Thr Tyr Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

Tyr Glu Met Thr

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Tyr Glu Thr Met

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Tyr Met Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Tyr Met Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

Tyr Thr Glu Met

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C23H34N4O9S (542.2046394)


   

Tyr Thr Met Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C23H34N4O9S (542.2046394)


   

(r)-1-[(s)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

(r)-1-[(s)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

C32H40FeP2 (542.195449)


   

(s)-1-[(r)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

(s)-1-[(r)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

C32H40FeP2 (542.195449)


   

2,6-bis(diphenylamino)anthracene-9,10-dione

2,6-bis(diphenylamino)anthracene-9,10-dione

C38H26N2O2 (542.1994176000001)


   

(s)-1-[(r)-2-(diphenylphosphino)ferrocenyl]-ethyldi-tert.-butylphosphine

(s)-1-[(r)-2-(diphenylphosphino)ferrocenyl]-ethyldi-tert.-butylphosphine

C32H40FeP2 (542.195449)


   

(R)-(-)-[(S)-2-(Diphenylphosphino(ferrocenyl]ethyldi-tert-butylphosphine

(R)-(-)-[(S)-2-(Diphenylphosphino(ferrocenyl]ethyldi-tert-butylphosphine

C32H40FeP2 (542.195449)


   
   

N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   

N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C31H30N2O7 (542.205291)


   
   
   

1-(1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone; 6-methyloxane-2,3,4,5-tetrol

1-(1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone; 6-methyloxane-2,3,4,5-tetrol

C25H34O13 (542.1999314)


   

2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C25H34O13 (542.1999314)


   

4,4'-dihydroxy-6,6'-bis[2-(2-methoxyphenyl)ethyl]-3,3'-dimethyl-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone

4,4'-dihydroxy-6,6'-bis[2-(2-methoxyphenyl)ethyl]-3,3'-dimethyl-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone

C32H30O8 (542.194058)


   

13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

C26H35ClO10 (542.191864)


   

[4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

[4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

C25H34O13 (542.1999314)


   

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

C26H35ClO10 (542.191864)


   

(3r,4s)-3-(2-hydroxy-4-methoxyphenyl)-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-7-ol

(3r,4s)-3-(2-hydroxy-4-methoxyphenyl)-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-7-ol

C32H30O8 (542.194058)


   

(2s,3r,4s,5s,6r)-2-(2-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(2-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C25H34O13 (542.1999314)


   

(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

C26H35ClO10 (542.191864)


   

3α,3β-carboxyvincoside lactam

NA

C27H30N2O10 (542.190036)


{"Ingredient_id": "HBIN007917","Ingredient_name": "3\u03b1,3\u03b2-carboxyvincoside lactam","Alias": "NA","Ingredient_formula": "C27H30N2O10","Ingredient_Smile": "C=CC1C2CC3C4=C(CC(N3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3186","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form

NA

C32H30O8 (542.194058)


{"Ingredient_id": "HBIN010056","Ingredient_name": "4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form","Alias": "NA","Ingredient_formula": "C32H30O8","Ingredient_Smile": "NA","Ingredient_weight": "542.58","OB_score": "NA","CAS_id": "100477-97-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7962","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-o-(3,4,5-trimethoxybenzoyl)-ajugol

NA

C25H34O13 (542.1999314)


{"Ingredient_id": "HBIN012579","Ingredient_name": "6-o-(3,4,5-trimethoxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C25H34O13","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

C26H35ClO10 (542.191864)


   

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

C26H35ClO10 (542.191864)


   

(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

C25H34O13 (542.1999314)


   

7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

C25H34O13 (542.1999314)


   

(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

C26H35ClO10 (542.191864)


   

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

C26H35ClO10 (542.191864)


   

(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

C27H30N2O10 (542.190036)


   

19-ethenyl-14-oxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

19-ethenyl-14-oxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

C27H30N2O10 (542.190036)


   

methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C25H34O13 (542.1999314)


   

(1r,2r,5r,6s,10s,11s,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

(1r,2r,5r,6s,10s,11s,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

C26H35ClO10 (542.191864)


   

(1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

(1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

C32H26N6O3 (542.2066286)


   

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C25H34O13 (542.1999314)


   

2,2',6,6'-tetramethoxy-9h,9'h,10h,10'h-[1,1'-biphenanthrene]-4,4',7,7'-tetrol

2,2',6,6'-tetramethoxy-9h,9'h,10h,10'h-[1,1'-biphenanthrene]-4,4',7,7'-tetrol

C32H30O8 (542.194058)


   

(1s,4as,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1s,4as,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

C25H34O13 (542.1999314)


   

(1s,4ar,5r,7s,7ar)-7-hydroxy-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1s,4ar,5r,7s,7ar)-7-hydroxy-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

C25H34O13 (542.1999314)


   

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

C26H35ClO10 (542.191864)


   

[(1s,2s,4s,5r,6s,7s,9r,12r)-4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

[(1s,2s,4s,5r,6s,7s,9r,12r)-4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

C25H34O13 (542.1999314)


   

methyl (6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C25H34O13 (542.1999314)


   

12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

C26H35ClO10 (542.191864)


   

2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

C26H35ClO10 (542.191864)


   

(2s,3r,4s,5s,6r)-2-(4-{1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-(4-{1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C25H34O13 (542.1999314)


   

15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

C32H26N6O3 (542.2066286)


   

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C25H34O13 (542.1999314)