Exact Mass: 574.2536

Exact Mass Matches: 574.2536

Found 114 metabolites which its exact mass value is equals to given mass value 574.2536, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

para-hydroxyatorvastatin

7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C33H35FN2O6 (574.2479)


para-hydroxyatorvastatin is a metabolite of atorvastatin. Atorvastatin, marketed by Pfizer as a calcium salt under the trade name Lipitor, is a member of the drug class known as statins, used for lowering blood cholesterol. It also stabilizes plaque and prevents strokes through anti-inflammatory and other mechanisms. Like all statins, atorvastatin works by inhibiting HMG-CoA reductase, an enzyme found in liver tissue that plays a key role in production of cholesterol in the body. (Wikipedia)

   

ortho-hydroxyatorvastatin

7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)-C-hydroxycarbonimidoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C33H35FN2O6 (574.2479)


ortho-hydroxyatorvastatin is a metabolite of atorvastatin. Atorvastatin, marketed by Pfizer as a calcium salt under the trade name Lipitor, is a member of the drug class known as statins, used for lowering blood cholesterol. It also stabilizes plaque and prevents strokes through anti-inflammatory and other mechanisms. Like all statins, atorvastatin works by inhibiting HMG-CoA reductase, an enzyme found in liver tissue that plays a key role in production of cholesterol in the body. (Wikipedia)

   

4-Hydroxyatorvastatin

7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,4,5-trihydroxyheptanoic acid

C33H35FN2O6 (574.2479)


   

(3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroperoxy-5-hydroxyheptanoic acid

7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenyl-C-hydroxycarbonimidoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3-hydroperoxy-5-hydroxyheptanoate

C33H35FN2O6 (574.2479)


   

Jasnudifloside G

Jasnudifloside G

C27H42O13 (574.2625)


   
   
   

Jasnudifloside F

Jasnudifloside F

C27H42O13 (574.2625)


   

Nudifloside D

Nudifloside D

C27H42O13 (574.2625)


   
   
   

alangicadinoside A

alangicadinoside A

C27H42O13 (574.2625)


   

laureliopsine A

laureliopsine A

C36H34N2O5 (574.2468)


   

13(R)-6alpha,11beta-dibenzoyloxy-7beta-hydroxy-8beta,13-epoxy-4(18)-neocleroden-15,16-olide|scutebatas P

13(R)-6alpha,11beta-dibenzoyloxy-7beta-hydroxy-8beta,13-epoxy-4(18)-neocleroden-15,16-olide|scutebatas P

C34H38O8 (574.2567)


   

13(R)-1beta,6alpha-dibenzoyloxy-7beta-hydroxy-8beta,13-epoxy-4(18)-neocleroden-15,16-olide|scutebatas Q

13(R)-1beta,6alpha-dibenzoyloxy-7beta-hydroxy-8beta,13-epoxy-4(18)-neocleroden-15,16-olide|scutebatas Q

C34H38O8 (574.2567)


   

Val Asn Val Asp Glu

Val Asn Val Asp Glu

C23H38N6O11 (574.2598)


   

Asn Val Asp Glu Val

Asn Val Asp Glu Val

C23H38N6O11 (574.2598)


   

Leu Glu Asn Gly Glu

Leu Glu Asn Gly Glu

C23H38N6O11 (574.2598)


   

C34H38O8_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(benzoyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,7R,8S,10R,11R)

NCGC00384964-01_C34H38O8_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(benzoyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,7R,8S,10R,11R)-

C34H38O8 (574.2567)


   

p-Hydroxyatorvastatin

p-Hydroxyatorvastatin

C33H35FN2O6 (574.2479)


   

o-Hydroxyatorvastatin

o-Hydroxyatorvastatin

C33H35FN2O6 (574.2479)


   

His Gln Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H34N8O8 (574.2499)


   

His Gln Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

His Tyr Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Met Val Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Met Tyr Val Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Met Tyr Tyr Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C28H38N4O7S (574.2461)


   

Asn Gln Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Asn Gln Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Asn Trp Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Pro Ser Trp Trp

(2S)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Pro Trp Ser Trp

(2S)-2-[(2S)-3-hydroxy-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Pro Trp Trp Ser

(2S)-3-hydroxy-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid

C30H34N6O6 (574.254)


   

Gln His Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H34N8O8 (574.2499)


   

Gln His Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Gln Asn Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Gln Asn Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Gln Gln His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H34N8O8 (574.2499)


   

Gln Gln Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Gln Gln Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C25H34N8O8 (574.2499)


   

Gln Gln Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Gln Trp Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Gln Trp Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C25H34N8O8 (574.2499)


   

Gln Tyr His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Gln Tyr Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Ser Pro Trp Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Ser Trp Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Ser Trp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C30H34N6O6 (574.254)


   

Val Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Val Tyr Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Val Tyr Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O7S (574.2461)


   

Trp Asn Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Trp Pro Ser Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Trp Pro Trp Ser

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C30H34N6O6 (574.254)


   

Trp Gln Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Trp Gln Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C25H34N8O8 (574.2499)


   

Trp Ser Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C30H34N6O6 (574.254)


   

Trp Ser Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C30H34N6O6 (574.254)


   

Trp Trp Pro Ser

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

C30H34N6O6 (574.254)


   

Trp Trp Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C30H34N6O6 (574.254)


   

Tyr His Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Tyr Met Val Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Tyr Met Tyr Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C28H38N4O7S (574.2461)


   

Tyr Gln His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C25H34N8O8 (574.2499)


   

Tyr Gln Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H34N8O8 (574.2499)


   

Tyr Val Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H38N4O7S (574.2461)


   

Tyr Val Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O7S (574.2461)


   

Tyr Tyr Met Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C28H38N4O7S (574.2461)


   

Tyr Tyr Val Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O7S (574.2461)


   

NVDEV

Asn-Val-Asp-Glu-Val

C23H38N6O11 (574.2598)


   

VNVDE

Val Asn Val Asp Glu

C23H38N6O11 (574.2598)


   

ELQEG

Glu Leu Gln Glu Gly

C23H38N6O11 (574.2598)


   

Lead bis(2,2,6,6-tetramethyl-3,5-heptanedionate)

Lead bis(2,2,6,6-tetramethyl-3,5-heptanedionate)

C22H38O4Pb (574.2536)


   
   

7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,4,5-trihydroxyheptanoic acid

7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,4,5-trihydroxyheptanoic acid

C33H35FN2O6 (574.2479)


   

(3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroperoxy-5-hydroxyheptanoic acid

(3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroperoxy-5-hydroxyheptanoic acid

C33H35FN2O6 (574.2479)


   

Parahydroxyatorvastatin

Parahydroxyatorvastatin

C33H35FN2O6 (574.2479)


   

3alpha,20alpha-dihydroxy-5beta-pregnane 3-O-(3-sulfo-beta-D-glucuronate)

3alpha,20alpha-dihydroxy-5beta-pregnane 3-O-(3-sulfo-beta-D-glucuronate)

C27H42O11S-2 (574.2448)


   

Para-hydroxyatorvastatin

Para-hydroxyatorvastatin

C33H35FN2O6 (574.2479)


   

7-[2-(4-Fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

7-[2-(4-Fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C33H35FN2O6 (574.2479)


   
   

ST 21:1;O7;GlcA

ST 21:1;O7;GlcA

C27H42O13 (574.2625)


   

ST 21:2;O8;Hex

ST 21:2;O8;Hex

C27H42O13 (574.2625)


   
   

methyl 5-ethylidene-4-(2-{[3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl 5-ethylidene-4-(2-{[3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,4s)-3-(hydroxymethyl)-4-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,4s)-3-(hydroxymethyl)-4-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2s,3s,4s)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2s,3s,4s)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

Barbatin A

NA

C34H38O8 (574.2567)


{"Ingredient_id": "HBIN017589","Ingredient_name": "Barbatin A","Alias": "NA","Ingredient_formula": "C34H38O8","Ingredient_Smile": "CC1=CCCC2C1(C(C(C3(C2(C(CC4(O3)CC(=O)OC4)OC(=O)C5=CC=CC=C5)C)C)O)OC(=O)C6=CC=CC=C6)C","Ingredient_weight": "574.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32735","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16081675","DrugBank_id": "NA"}

   

Barbatin B

NA

C34H38O8 (574.2567)


{"Ingredient_id": "HBIN017590","Ingredient_name": "Barbatin B","Alias": "NA","Ingredient_formula": "C34H38O8","Ingredient_Smile": "CC12C3CCCC(=C)C3(C(C(C1(OC4(CC2O)CC(=O)OC4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C","Ingredient_weight": "574.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32736","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16081677","DrugBank_id": "NA"}

   

methyl 5-ethylidene-4-(2-{[3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl 5-ethylidene-4-(2-{[3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,5s)-3-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,5s)-3-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

(2s,3r,4s,5s,6r)-2-{[(5s,7r,8s)-1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(5s,7r,8s)-1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C27H42O13 (574.2625)


   

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl benzoate

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl benzoate

C34H38O8 (574.2567)


   

16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

C36H34N2O5 (574.2468)


   

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,5s)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,5s)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

25,35-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(30),3,5,9,11,18,20,22(33),24,26,28,31,34,36-tetradecaen-21-ol

25,35-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2⁹,¹².1¹⁸,²².0¹¹,¹⁶.0²⁷,³¹]heptatriaconta-1(30),3,5,9,11,18,20,22(33),24,26,28,31,34,36-tetradecaen-21-ol

C36H34N2O5 (574.2468)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2s,3s,5s)-3-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-5-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2s,3s,5s)-3-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-5-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,5s)-3-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,5s)-3-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

(2s,3r,4s,5s,6r)-2-[(1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-[(1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H42O13 (574.2625)


   

1-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate

1-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate

C34H38O8 (574.2567)


   

(2s)-n-[(2s)-1-{2-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-1-oxo-3-phenylpropan-2-yl]-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropanimidic acid

(2s)-n-[(2s)-1-{2-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-1-oxo-3-phenylpropan-2-yl]-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropanimidic acid

C32H38N4O4S (574.2614)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2r,3s,5s)-3-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2r,3s,5s)-3-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,5s)-3-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3r,5s)-3-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

(8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

(8e,21r)-16,27-dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁰,¹³.1⁴,³⁰.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),8,10,12,15(35),16,18,25,27,32,36-tridecaene

C36H34N2O5 (574.2468)


   

2-[(1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(1-hydroxy-5-isopropyl-3,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2s,3s,5s)-3-hydroxy-2-[(2s)-1-hydroxypropan-2-yl]-5-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1r,2s,3s,5s)-3-hydroxy-2-[(2s)-1-hydroxypropan-2-yl]-5-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,4s)-3-(hydroxymethyl)-4-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,4s)-3-(hydroxymethyl)-4-[(2r)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2s,3s,5s)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5z,6s)-5-ethylidene-4-(2-{[(1s,2s,3s,5s)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)


   

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-1-hydroxy-4a,6a,10b-trimethyl-7-methylidene-5'-oxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-5-yl benzoate

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-1-hydroxy-4a,6a,10b-trimethyl-7-methylidene-5'-oxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-5-yl benzoate

C34H38O8 (574.2567)


   

5-(benzoyloxy)-1-hydroxy-4a,6a,10b-trimethyl-7-methylidene-5'-oxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate

5-(benzoyloxy)-1-hydroxy-4a,6a,10b-trimethyl-7-methylidene-5'-oxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate

C34H38O8 (574.2567)


   

(2s)-n-[(2s)-1-[(2s)-2-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropanimidic acid

(2s)-n-[(2s)-1-[(2s)-2-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropanimidic acid

C32H38N4O4S (574.2614)


   

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl benzoate

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl benzoate

C34H38O8 (574.2567)


   

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,4s)-3-(hydroxymethyl)-4-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

methyl (4s,5e,6s)-5-ethylidene-4-(2-{[(1s,2r,3s,4s)-3-(hydroxymethyl)-4-[(2s)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H42O13 (574.2625)