Exact Mass: 452.12666800000005

Exact Mass Matches: 452.12666800000005

Found 218 metabolites which its exact mass value is equals to given mass value 452.12666800000005, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Aspalathin

3-(3,4-dihydroxyphenyl)-1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

C21H24O11 (452.13185539999995)

Aspalathin is found in tea. Aspalathin is a constituent of Aspalathus linearis (rooibos) Aspalathin is a C-linked dihydrochalcone glycoside and flavonoid found in rooibos, a common herbal tea. (Aspalathus linearis). Aspalathin is a chalcone and has shown antimutagenic, and antioxidant properties

(-)-Epicatechin 8-C-glucoside

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin 8-C-glucoside is found in chinese cinnamon. (-)-Epicatechin 8-C-glucoside is isolated from bark of Chinese cinnamon Cinnamomum cassia. Isolated from bark of Chinese cinnamon Cinnamomum cassia. Epicatechin 8-C-glucoside is found in chinese cinnamon and herbs and spices.

Epicatechin 3-glucoside

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Epicatechin 3-glucoside is found in chinese cinnamon. Epicatechin 3-glucoside is isolated from Chinese cinnamon (Cinnamomum cassia) bark. Isolated from Chinese cinnamon (Cinnamomum cassia) bark. Epicatechin 3-glucoside is found in chinese cinnamon and herbs and spices.

Viniferifuran

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.125982)

Viniferifuran is found in alcoholic beverages. Viniferifuran is isolated from Riesling wine. Viniferifuran is a constituent of wine grapes (Vitis vinifera Kyohou) and amur grape (Vitis amurensis). Isolated from Riesling wine. Constituent of wine grapes (Vitis vinifera Kyohou) and amur grape (Vitis amurensis). Viniferifuran is found in alcoholic beverages and fruits.

Catechin 7-glucoside

2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Isolated from commercial rhubarb (Rheum subspecies,) and azuki bean (Vigna angularis). Catechin 7-glucoside is found in many foods, some of which are barley, green vegetables, adzuki bean, and pulses. Catechin 7-glucoside is found in adzuki bean. Catechin 7-glucoside is isolated from commercial rhubarb (Rheum species,) and azuki bean (Vigna angularis).

(-)-Epicatechin 6-C-glucoside

(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin 6-C-glucoside is found in chinese cinnamon. (-)-Epicatechin 6-C-glucoside is isolated from bark of Chinese cinnamon Cinnamomum cassia. Isolated from bark of Chinese cinnamon Cinnamomum cassia. Epicatechin 6-C-glucoside is found in chinese cinnamon and herbs and spices.

Catechin 5-glucoside

2-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Catechin 5-glucoside is found in green vegetables. Catechin 5-glucoside is isolated from commercial rhubarb Rheum species. Isolated from commercial rhubarb Rheum subspecies Catechin 5-glucoside is found in green vegetables and garden rhubarb.

(-)-epicatechin-3'-O-glucuronide

(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin-3-O-glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)

3-[(6-{[(1E)-1-butylidene-3-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C21H24O11 (452.13185539999995)

7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) is found in herbs and spices. 7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) is isolated from elicitor-treated cultures of Petroselinum crispum (parsley Isolated from elicitor-treated cultures of Petroselinum crispum (parsley). 7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) is found in herbs and spices.

Precarthamin

2-(hydroxymethyl)-6-{2,4,6-trihydroxy-3-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]phenoxy}oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Precarthamin is found in fats and oils. Red pigment from the flowers of Carthamus tinctorius (safflower

(+)-Catechin 6-C-glucoside

2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(+)-Catechin 6-C-glucoside is found in green vegetables. (+)-Catechin 6-C-glucoside is isolated from Rheum sp. (rhubarb). Isolated from Rheum species (rhubarb). Catechin 6-C-glucoside is found in green vegetables.

(+)-Catechin 8-C-glucoside

2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(+)-Catechin 8-C-glucoside is found in green vegetables. (+)-Catechin 8-C-glucoside is isolated from Rheum sp. (rhubarb). Isolated from Rheum species (rhubarb). Catechin 8-C-glucoside is found in green vegetables.

Catechin 3'-glucoside

2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

Catechin 4-glucoside is found in green vegetables. Catechin 4-glucoside is isolated from commercial rhubarb (Rheum species). Isolated from Rheum subspecies roots. Catechin 3-glucoside is found in green vegetables.

(-)-Epicatechin 8-C-galactoside

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin 8-C-galactoside is found in cocoa and cocoa products. (-)-Epicatechin 8-C-galactoside is a constituent of cacao liquor (Theobroma cacao).

3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid

C21H24O11 (452.13185539999995)

Maltohexaose is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Maltohexaose is soluble (in water) and a very weakly acidic compound (based on its pKa). A 1,4-alpha-D-glucan reacts with H2O to produce maltohexaose. alpha-Amylase is responsible for catalyzing the reaction.

Lumacaftor

3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid

C24H18F2N2O5 (452.11837219999995)

C87006 - Pharmacological Chaperone

3-Hydroxyphloretin 2'-O-glucoside

1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one

C21H24O11 (452.13185539999995)

3-hydroxyphloretin 2-o-glucoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-hydroxyphloretin 2-o-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-hydroxyphloretin 2-o-glucoside can be found in apple, which makes 3-hydroxyphloretin 2-o-glucoside a potential biomarker for the consumption of this food product.

Coatline B

C21H24O11 (452.13185539999995)

Epicatechin 3-O-beta-D-allopyranoside

C21H24O11 (452.13185539999995)

Leucopelargonidin 3-O-glucoside

3,4,5,7,4-Pentahydroxyflavan 3-O-glucoside

C21H24O11 (452.13185539999995)

6-O-Galloylsalidroside

C21H24O11 (452.13185539999995)

Sieboldin

3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

C21H24O11 (452.13185539999995)

Catechin 3-O-beta-D-glucopyranoside

(2R,3S) -3,5,7,3,4-Pentahydroxyflavan 3-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

Catechin-4-ol 3-O-alpha-L-rhamnopyranoside

3,4,5,7,3,4-Hexahydroxyflavan 3-O-alpha-L-rhamnopyranoside

C21H24O11 (452.13185539999995)

Epicatechin-5-O-beta-D-glucopyranoside

(-)-Epicatechin-5-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

ent-Catechin 7-O-beta-D-glucopyranoside

(2S,3R) -3,5,7,3,4-Pentahydroxyflavan 7-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

Epicatechin 8-C-beta-D-galactoside

(2R) -8-beta-D-Galactopyranosyl-2alpha- (3,4-dihydroxyphenyl) -3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol

C21H24O11 (452.13185539999995)

Aspalathin

3- (3,4-Dihydroxyphenyl) -1- (3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl) -1-propanone

C21H24O11 (452.13185539999995)

A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity.

Epicatechin 3-O-beta-D-glucopyranoside

(2R,3R) -3,5,7,3,4-Pentahydroxyflavan 3-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

6-C-Glucopyranosylcatechin

2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

6-C-Glucopyranosylepicatechin

(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

vitisinol A

C28H20O6 (452.125982)

Olinioside

C21H24O11 (452.13185539999995)

Hemiphloin|Isohemiphloin

C21H24O11 (452.13185539999995)

laetevirenol A

C28H20O6 (452.125982)

C21H24O11

C21H24O11 (452.13185539999995)

1-Benzoyl,2,3,4,6-tetra-Ac-alpha-D-Pyranose-Glucose

C21H24O11 (452.13185539999995)

3-hydroxy phloridzin|3-hydroxyphioreti 4-O-beta glucoside|3-hydroxyphloridzin|3-Hydroxyphlorizin|Phlo-OH

C21H24O11 (452.13185539999995)

NSC650387

C21H24O11 (452.13185539999995)

2-(3,4-dihydroxyphenyl)ethyl 6-O-protocatechuoyl-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

telephenone B

C21H24O11 (452.13185539999995)

4-beta-D-glucopyranosyloxy-3-hydroxybenzyl 4-O-methylprotocatechuate|oreganol-B

C21H24O11 (452.13185539999995)

6-O-vanilloylisotachioside

C21H24O11 (452.13185539999995)

6-O-vanilloyltachioside

C21H24O11 (452.13185539999995)

C28H20O6

C28H20O6 (452.125982)

roxburghiol A

C28H20O6 (452.125982)

vitisinol G

C28H20O6 (452.125982)

foliamangiferoside B

C21H24O11 (452.13185539999995)

dobiniside A

C21H24O11 (452.13185539999995)

Vanilloyl calleryanin|vanilloylcalleryanin

C21H24O11 (452.13185539999995)

4-hydroxy-2-methoxyphenol beta-D-{3-O-[4-hydroxy-3-methoxy(benzoate)]glucopyranoside}

C21H24O11 (452.13185539999995)

1-(3-hydroxy-4,5-dimethoxyphenyl)-6-(p-hydroxybenzoyl)-beta-D-glucopyranose|dunnianoside F

C21H24O11 (452.13185539999995)

4-O-(6-O-Galloyl-beta-D-glucopyranoside)-2-(4-Hydroxyphenyl)ethanol|p-hydroxyphenethylalcohol 4-O-beta-D-(6-O-galloyl)-glucoside

C21H24O11 (452.13185539999995)

Roccellin

C21H24O11 (452.13185539999995)

robustaside E

C21H24O11 (452.13185539999995)

A beta-glucoside having 4-hydroxyphenoxy residue as the anomeric substituent and a [(2E)-3-(1,4-dihydroxy-6-oxocyclohex-2-en-1-yl)prop-2-enoyl]oxy residue at position 6. Isolated from Grevillea, it exhibits antimalarial activity.

Leucoanthocyanin

C21H24O11 (452.13185539999995)

Curculigoside B

[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-methoxybenzoate

C21H24O11 (452.13185539999995)

Curculigoside B is a natural product found in Curculigo orchioides with data available. Curculigoside B, a phenolic glycoside isolated from Curculigo orchioides, enhances the osteoblast proliferation, decreases the area of bone resorption pit, osteoclastic formation and TRAP activity. Antiosteoporotic and antioxidative activities[1]. Curculigoside B, a phenolic glycoside isolated from Curculigo orchioides, enhances the osteoblast proliferation, decreases the area of bone resorption pit, osteoclastic formation and TRAP activity. Antiosteoporotic and antioxidative activities[1].

epicatechin 8-C-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

NCGC00385785-01!(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

C21H24O11_(3R,3R,4R,6S,7R)-5-Hydroxy-6,7-dimethyl-6,8-dioxo-3,4,4,5,6,6,7,8-octahydrospiro[isochromene-3,2-pyran]-3,4,7-triyl triacetate

NCGC00380620-01_C21H24O11_(3R,3R,4R,6S,7R)-5-Hydroxy-6,7-dimethyl-6,8-dioxo-3,4,4,5,6,6,7,8-octahydrospiro[isochromene-3,2-pyran]-3,4,7-triyl triacetate

C21H24O11 (452.13185539999995)

(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one

C21H24O11 (452.13185539999995)

(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]

NCGC00385785-01!(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]

C21H24O11 (452.13185539999995)

(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one_major

C21H24O11 (452.13185539999995)

Cys Cys Met Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.12217580000004)

Cys Cys Pro Met

(2S)-2-{[(2S)-1-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C16H28N4O5S3 (452.12217580000004)

Cys Asp Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C15H24N4O10S (452.1213084)

Cys Asp Glu Ser

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Cys Asp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Cys Asp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-hydroxybutanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Cys Glu Asp Ser

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Cys Glu Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Cys Met Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.12217580000004)

Cys Met Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Cys Pro Cys Met

(2S)-2-[(2R)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O5S3 (452.12217580000004)

Cys Pro Met Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Cys Ser Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-carboxypropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Cys Ser Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Cys Thr Asp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-carboxypropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Asp Cys Asp Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C15H24N4O10S (452.1213084)

Asp Cys Glu Ser

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Asp Cys Ser Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Asp Cys Thr Asp

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Asp Asp Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C15H24N4O10S (452.1213084)

Asp Asp Thr Cys

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C15H24N4O10S (452.1213084)

Asp Glu Cys Ser

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Asp Glu Ser Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Asp Ser Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Asp Ser Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Asp Thr Cys Asp

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Asp Thr Asp Cys

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C15H24N4O10S (452.1213084)

Glu Cys Asp Ser

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Glu Cys Ser Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Glu Asp Cys Ser

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Glu Asp Ser Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Glu Ser Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Glu Ser Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Met Cys Cys Pro

(2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.12217580000004)

Met Cys Pro Cys

(2R)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Met Pro Cys Cys

(2R)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Pro Cys Cys Met

(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanoic acid

C16H28N4O5S3 (452.12217580000004)

Pro Cys Met Cys

(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Pro Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.12217580000004)

Ser Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Ser Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Ser Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O10S (452.1213084)

Ser Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Ser Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Ser Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O10S (452.1213084)

Thr Cys Asp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Thr Asp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213084)

Thr Asp Asp Cys

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C15H24N4O10S (452.1213084)

8-C-Glucopyranosylepicatechin

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

8-C-Glucopyranosylcatechin

2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

Catechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

Epicatechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

Catechin 7-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

Catechin 4-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

(-)-epicatechin-3-O-glucuronide

(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

Precarthamin

2-(hydroxymethyl)-6-{2,4,6-trihydroxy-3-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]phenoxy}oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Amurensin H

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.125982)

7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)

3-[(6-{[(1E)-1-butylidene-3-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C21H24O11 (452.13185539999995)

Epicatechin 3-glucoside

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

Catechin 3'-glucoside

2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

Catechin 5-glucoside

2-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin 8-C-galactoside

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

fostriecin

C19H26NaO9P (452.1212076)

2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-Dihydroxybutanedioate

C17H19ClN2O.C4H6O6 (452.135021)

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

C13H26F6N2O4S2 (452.1238108)

2-[[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

C21H20N6O4S (452.12666800000005)

Lumacaftor

VX-809(Lumacaftor)

C24H18F2N2O5 (452.11837219999995)

C87006 - Pharmacological Chaperone

(-)-Epicatechin 8-C-galactoside

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin 8-C-galactoside is found in cocoa and cocoa products. (-)-Epicatechin 8-C-galactoside is a constituent of cacao liquor (Theobroma cacao). Constituent of cacao liquor (Theobroma cacao). Epicatechin 8-C-galactoside is found in cocoa and cocoa products and cocoa bean.

(-)-epicatechin-3'-O-glucuronide

(3S)-2-(4-hydroxy-3-{[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

(-)-Epicatechin-3-O-glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

(-)-epicatechin-3-O-glucoside

C21H24O11 (452.13185539999995)

3,5,7,9,11,13,15,17,19-Nonaoxohenicosanoic acid

C21H24O11 (452.13185539999995)

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide

C23H21ClN4O4 (452.12512560000005)

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone

C26H20N4O2S (452.13069)

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide

C23H21ClN4O4 (452.12512560000005)

1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

C19H29BrN6S (452.1357654)

3,4,5-Trihydroxy-6-[3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy]oxane-2-carboxylic acid

C21H24O11 (452.13185539999995)

3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-(7-methoxy-2-oxochromen-8-yl)but-3-en-2-yl]oxyoxane-2-carboxylic acid

C21H24O11 (452.13185539999995)

2-(3-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,6,7-tetrol

C21H24O11 (452.13185539999995)

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl beta-D-glucopyranoside

C21H24O11 (452.13185539999995)

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C21H24O11 (452.13185539999995)

Catechin 7-glucoside

C21H24O11 (452.13185539999995)

Viniferifuran

C28H20O6 (452.125982)

2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]phenyl b-D-glucopyranoside, 9ci

C21H24O11 (452.13185539999995)

(+)-Catechin 8-C-glucoside

C21H24O11 (452.13185539999995)

(+)-Catechin 6-C-glucoside

C21H24O11 (452.13185539999995)

Catechin 3-glucoside

C21H24O11 (452.13185539999995)

(-)-Epicatechin 6-C-glucoside

C21H24O11 (452.13185539999995)

(-)-Epicatechin 8-C-glucoside

C21H24O11 (452.13185539999995)

Epicatechin 3-O-beta-D-glucoside

C21H24O11 (452.13185539999995)

ST 18:1;O8;S

C18H28O11S (452.13522580000006)

Glutaminase-IN-3

C19H19F3N6O2S (452.124223)

Glutaminase-IN-3 (compound 657) is a potent glutaminase inhibitor with an IC50 of 0.24 μM for Glutaminase 1 (GLS1). Glutaminase-IN-3 is extracted from patent WO2014089048A1, compound 657[1].

Methiothepin (mesylate)

C21H28N2O3S3 (452.12619780000006)

Methiothepin (Metitepine) mesylate is a potent and non-selective 5-HT2 receptor antagonist, with pKds of 7.10 (5-HT1A), 7.28 (5HT1B), 7.56 (5HT1C), 6.99 (5HT1D), 7.0 (5-HT5A), 7.8 (5-HT5B), 8.74 (5-HT6), and 8.99 (5-HT7), and pKis of 8.50 (5HT2A), 8.68 (5HT2B), and 8.35 (5HT2C).

(1r,16r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,8,10,12,14(17)-heptaene-4,6,12-triol

C28H20O6 (452.125982)

(2s)-1-{2,4-dihydroxy-3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one

C21H24O11 (452.13185539999995)

2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C21H24O11 (452.13185539999995)

3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-4-yl 3,4,5-trihydroxybenzoate

C21H24O11 (452.13185539999995)

{3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

C21H24O11 (452.13185539999995)

3-hydroxyphlorizin

3-hydroxy-phlorizin

C21H24O11 (452.13185539999995)

{"Ingredient_id": "HBIN008738","Ingredient_name": "3-hydroxyphlorizin","Alias": "3-hydroxy-phlorizin","Ingredient_formula": "C21H24O11","Ingredient_Smile": "C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10644;39081","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}