Exact Mass: 452.13522580000006

Exact Mass Matches: 452.13522580000006

Found 500 metabolites which its exact mass value is equals to given mass value 452.13522580000006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cinchonain Ib

(2R) -2alpha,10beta-Bis (3,4-dihydroxyphenyl) -3alpha,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo [ 1,2-b:3,4-b ] dipyran-8-one

C24H20O9 (452.110727)


   

Urdamycinone B

Urdamycinone B

C25H24O8 (452.1471104)


   

Landomycin H

Landomycin H

C25H24O8 (452.1471104)


   

Hycanthone mesylate

Hycanthone mesylate

C21H28N2O5S2 (452.1439558)


   

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.

   

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-4-one

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-4-one

C24H20O9 (452.110727)


   

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.

   

(-)-Epigallocatechin 3-p-coumaroate

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.110727)


(-)-Epigallocatechin 3-p-coumaroate is found in tea. (-)-Epigallocatechin 3-p-coumaroate is isolated from leaves of green tea (Thea sinensis). Isolated from leaves of green tea (Thea sinensis). Epigallocatechin 3-p-coumarate is found in tea.

   

(-)-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).

   

5alpha-Androstan-3alpha,17beta-diol disulfate

[(1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid

C19H32O8S2 (452.15385119999996)


5alpha-Androstan-3alpha,17beta-diol disulfate, also known as 5α-androstan-3α,17β-diol disulfuric acid, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3alpha,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. 5alpha-Androstan-3alpha,17beta-diol disulfate can be found in feces.

   

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

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.

   

5alpha-Androstan-3beta,17alpha-diol disulfate

[(1S,2S,5S,7S,10R,11S,14R,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid

C19H32O8S2 (452.15385119999996)


5alpha-Androstan-3beta,17alpha-diol disulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3beta,17alpha-diol disulfate was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.

   

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.

   

Nüzhendic acid

2-[3-(carboxymethyl)-3-hydroxy-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydropyran-4-yl]acetic acid

C17H24O14 (452.1166004)


   

Coatline B

Coatline B

C21H24O11 (452.13185539999995)


   

Epicatechin 3-O-beta-D-allopyranoside

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

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)


   

Anigopreissin A

Anigopreissin A

C28H20O6 (452.125982)


   

Speranculatine B

Speranculatine B

C20H24N2O10 (452.1430884)


   

Subalatin

Subalatin

C24H20O9 (452.110727)


   

Kompasinol A

Kompasinol A

C25H24O8 (452.1471104)


   

NSC346879

NSC346879

C22H25ClO8 (452.123788)


   

BCP33547

BCP33547

C21H24O11 (452.13185539999995)


   

Betulifol A

Betulifol A

C28H20O6 (452.125982)


   

Catechin 3-O-beta-D-glucopyranoside

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

C21H24O11 (452.13185539999995)


   

Atramycin B

Atramycin B

C25H24O8 (452.1471104)


   

Laurentiquinone C

Laurentiquinone C

C24H20O9 (452.110727)


   

Epimedokoreanin A

2- (3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl) -8,9-dihydro-5-hydroxy-8- (1-methylethenyl) -4H-furo [ 2,3-h ] -1-benzopyran-4-one

C25H24O8 (452.1471104)


   

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

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

C21H24O11 (452.13185539999995)


   

cadensin A

cadensin A

C24H20O9 (452.110727)


   

(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one

(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one

C25H24O8 (452.1471104)


   

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.

   

Cinchonain Id

Cinchonain Id

C24H20O9 (452.110727)


   

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)


   

Foramsulfuron

Foramsulfuron

C17H20N6O7S (452.111413)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2778

   

ZINC13465588

ZINC13465588

C24H24N2O7 (452.1583434)


   

C24H20O9

C24H20O9 (452.110727)


   

C25H24O8

C25H24O8 (452.1471104)


   

5-hydroxymorusin|5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b)-pyran-4-one|5-hydroxymorusin|artonin E|hydroxyartoflavone A

5-hydroxymorusin|5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b)-pyran-4-one|5-hydroxymorusin|artonin E|hydroxyartoflavone A

C25H24O8 (452.1471104)


   

vitisinol A

vitisinol A

C28H20O6 (452.125982)


   

Olinioside

Olinioside

C21H24O11 (452.13185539999995)


   

Hemiphloin|Isohemiphloin

Hemiphloin|Isohemiphloin

C21H24O11 (452.13185539999995)


   

Anticancer Stilbenolignan PMV70P691-042

Anticancer Stilbenolignan PMV70P691-042

C25H24O8 (452.1471104)


   

laetevirenol A

laetevirenol A

C28H20O6 (452.125982)


   

C21H24O11

C21H24O11 (452.13185539999995)


   

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

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

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

C21H24O11 (452.13185539999995)


   

NSC650387

NSC650387

C21H24O11 (452.13185539999995)


   

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

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

C21H24O11 (452.13185539999995)


   

telephenone B

telephenone B

C21H24O11 (452.13185539999995)


   

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

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

C21H24O11 (452.13185539999995)


   

6-O-vanilloylisotachioside

6-O-vanilloylisotachioside

C21H24O11 (452.13185539999995)


   

6-O-vanilloyltachioside

6-O-vanilloyltachioside

C21H24O11 (452.13185539999995)


   

C28H20O6

C28H20O6 (452.125982)


   

4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone

4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone

C24H20O9 (452.110727)


   

3-methoxy-5-demethoxycadensin G

3-methoxy-5-demethoxycadensin G

C24H20O9 (452.110727)


   

roxburghiol A

roxburghiol A

C28H20O6 (452.125982)


   

vitisinol G

vitisinol G

C28H20O6 (452.125982)


   

SCHEMBL14805569

SCHEMBL14805569

C24H20O9 (452.110727)


   

(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one|3,6-dihydroxy-2,4,4-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone

(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one|3,6-dihydroxy-2,4,4-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone

C25H24O8 (452.1471104)


   

5-hydroxyaiphanol|aiphanol

5-hydroxyaiphanol|aiphanol

C25H24O8 (452.1471104)


   

foliamangiferoside B

foliamangiferoside B

C21H24O11 (452.13185539999995)


   

1,5-di-O-Caffeoylquinic acid

1,5-di-O-Caffeoylquinic acid

C25H24O8 (452.1471104)


   

dobiniside A

dobiniside A

C21H24O11 (452.13185539999995)


   

Vanilloyl calleryanin|vanilloylcalleryanin

Vanilloyl calleryanin|vanilloylcalleryanin

C21H24O11 (452.13185539999995)


   

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

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

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

C21H24O11 (452.13185539999995)


   

Nuezhenidic acid

Nuezhenidic acid

C17H24O14 (452.1166004)


   

Flavomentin D

Flavomentin D

C24H20O9 (452.110727)


   

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

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

Roccellin

C21H24O11 (452.13185539999995)


   

robustaside E

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.

   

9-(1-Hydroperoxy-isopropyl)-6,12-dihydroxy-3,3-dimethyl-8H,9H-benzo[f]pyrano[6,5-8,7]chromeno[3,2-d]oxepin-7-one

9-(1-Hydroperoxy-isopropyl)-6,12-dihydroxy-3,3-dimethyl-8H,9H-benzo[f]pyrano[6,5-8,7]chromeno[3,2-d]oxepin-7-one

C25H24O8 (452.1471104)


   

Leucoanthocyanin

Leucoanthocyanin

C21H24O11 (452.13185539999995)


   

5-Methoxy-(3,4-dihydro-3,4-diacetoxy)-2,2-dimethylpyrano-(7,8:5,6)-flavone

5-Methoxy-(3,4-dihydro-3,4-diacetoxy)-2,2-dimethylpyrano-(7,8:5,6)-flavone

C25H24O8 (452.1471104)


   

IAA-Asp-N-Glc

IAA-Asp-N-Glc

C20H24N2O10 (452.1430884)


   

(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine

(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine

C16H28N4O7S2 (452.1399338)


   

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

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)


   

methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate

NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate

C25H24O8 (452.1471104)


   

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

(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)


   

methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]

NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]

C25H24O8 (452.1471104)


   

methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

C25H24O8 (452.1471104)


   

(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

(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)


   

Ala Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Ala Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C16H28N4O7S2 (452.1399338)


   

Ala Glu Cys Met

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Ala Glu Met Cys

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Ala Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C16H28N4O7S2 (452.1399338)


   

Ala Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Cys Ala Glu Met

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

C16H28N4O7S2 (452.1399338)


   

Cys Ala Met Glu

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

C16H28N4O7S2 (452.1399338)


   

Cys Cys Asp Ile

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

C16H28N4O7S2 (452.1399338)


   

Cys Cys Asp Leu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C16H28N4O7S2 (452.1399338)


   

Cys Cys Glu Val

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

C16H28N4O7S2 (452.1399338)


   

Cys Cys Ile Asp

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

C16H28N4O7S2 (452.1399338)


   

Cys Cys Leu Asp

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

C16H28N4O7S2 (452.1399338)


   

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 Asn Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

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 Cys Val Glu

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

C16H28N4O7S2 (452.1399338)


   

Cys Asp Cys Ile

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

C16H28N4O7S2 (452.1399338)


   

Cys Asp Cys Leu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Ile Cys

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

C16H28N4O7S2 (452.1399338)


   

Cys Asp Leu Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Ala Met

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

C16H28N4O7S2 (452.1399338)


   

Cys Glu Cys Val

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

C16H28N4O7S2 (452.1399338)


   

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 Met Ala

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Glu Thr Thr

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

C16H28N4O9S (452.15769180000007)


   

Cys Glu Val Cys

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

C16H28N4O7S2 (452.1399338)


   

Cys Gly His His

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

C17H24N8O5S (452.1590294)


   

Cys His Gly His

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

C17H24N8O5S (452.1590294)


   

Cys His His Gly

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

C17H24N8O5S (452.1590294)


   

Cys Ile Cys Asp

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

C16H28N4O7S2 (452.1399338)


   

Cys Ile Asp Cys

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

C16H28N4O7S2 (452.1399338)


   

Cys Leu Cys Asp

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

C16H28N4O7S2 (452.1399338)


   

Cys Leu Asp Cys

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

Cys Met Ala Glu

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

C16H28N4O7S2 (452.1399338)


   

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 Glu Ala

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Asn Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

Cys Asn Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

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)


   

Cys Thr Glu Thr

(4S)-4-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Cys Thr Thr Glu

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

C16H28N4O9S (452.15769180000007)


   

Cys Val Cys Glu

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

C16H28N4O7S2 (452.1399338)


   

Cys Val Glu Cys

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

C16H28N4O7S2 (452.1399338)


   

Asp Cys Cys Ile

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

C16H28N4O7S2 (452.1399338)


   

Asp Cys Cys Leu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Ile Cys

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

C16H28N4O7S2 (452.1399338)


   

Asp Cys Leu Cys

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

C16H28N4O7S2 (452.1399338)


   

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 Phe Gly

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

C19H24N4O9 (452.15432139999996)


   

Asp Asp Gly Phe

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

C19H24N4O9 (452.15432139999996)


   

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 Phe Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C19H24N4O9 (452.15432139999996)


   

Asp Phe Gly Asp

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

C19H24N4O9 (452.15432139999996)


   

Asp Gly Asp Phe

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

C19H24N4O9 (452.15432139999996)


   

Asp Gly Phe Asp

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

C19H24N4O9 (452.15432139999996)


   

Asp Gly Met Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Asp Ile Cys Cys

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

C16H28N4O7S2 (452.1399338)


   

Asp Leu Cys Cys

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

C16H28N4O7S2 (452.1399338)


   

Asp Met Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Asp Met Met Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

Asp Met Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Asp Met Thr Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

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 Ser Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Asp Ser Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O9S (452.15769180000007)


   

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)


   

Asp Thr Met Ser

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

Asp Thr Ser Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O9S (452.15769180000007)


   

Glu Ala Cys Met

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

C16H28N4O7S2 (452.1399338)


   

Glu Ala Met Cys

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

C16H28N4O7S2 (452.1399338)


   

Glu Cys Ala Met

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

C16H28N4O7S2 (452.1399338)


   

Glu Cys Cys Val

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

C16H28N4O7S2 (452.1399338)


   

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 Met Ala

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Cys Thr Thr

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

C16H28N4O9S (452.15769180000007)


   

Glu Cys Val Cys

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

C16H28N4O7S2 (452.1399338)


   

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 Met Ala Cys

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

C16H28N4O7S2 (452.1399338)


   

Glu Met Cys Ala

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Glu Met Ser Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

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)


   

Glu Ser Met Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Glu Ser Ser Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Glu Thr Cys Thr

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

C16H28N4O9S (452.15769180000007)


   

Glu Thr Thr Cys

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

C16H28N4O9S (452.15769180000007)


   

Glu Val Cys Cys

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

C16H28N4O7S2 (452.1399338)


   

Phe Asp Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C19H24N4O9 (452.15432139999996)


   

Phe Asp Gly Asp

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

C19H24N4O9 (452.15432139999996)


   

Phe Gly Asp Asp

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

C19H24N4O9 (452.15432139999996)


   

Gly Cys His His

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

C17H24N8O5S (452.1590294)


   

Gly Asp Asp Phe

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

C19H24N4O9 (452.15432139999996)


   

Gly Asp Phe Asp

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

C19H24N4O9 (452.15432139999996)


   

Gly Asp Met Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Gly Phe Asp Asp

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

C19H24N4O9 (452.15432139999996)


   

Gly His Cys His

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

C17H24N8O5S (452.1590294)


   

Gly His His Cys

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

C17H24N8O5S (452.1590294)


   

Gly Met Asp Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Gly Met Met Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C16H28N4O7S2 (452.1399338)


   

His Cys Gly His

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

C17H24N8O5S (452.1590294)


   

His Cys His Gly

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

C17H24N8O5S (452.1590294)


   

His Gly Cys His

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

C17H24N8O5S (452.1590294)


   

His Gly His Cys

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

C17H24N8O5S (452.1590294)


   

His His Cys Gly

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

C17H24N8O5S (452.1590294)


   

His His Gly Cys

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

C17H24N8O5S (452.1590294)


   

Ile Cys Cys Asp

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

C16H28N4O7S2 (452.1399338)


   

Ile Cys Asp Cys

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

C16H28N4O7S2 (452.1399338)


   

Ile Asp Cys Cys

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

C16H28N4O7S2 (452.1399338)


   

Leu Cys Cys Asp

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

C16H28N4O7S2 (452.1399338)


   

Leu Cys Asp Cys

(3S)-3-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

Leu Asp Cys Cys

(3S)-3-[(2S)-2-amino-4-methylpentanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Ala Cys Glu

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

C16H28N4O7S2 (452.1399338)


   

Met Ala Glu Cys

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

C16H28N4O7S2 (452.1399338)


   

Met Cys Ala Glu

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

C16H28N4O7S2 (452.1399338)


   

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 Glu Ala

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

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 Asp Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Asp Met Gly

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Asp Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Met Asp Thr Ser

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

C16H28N4O9S (452.15769180000007)


   

Met Glu Ala Cys

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

C16H28N4O7S2 (452.1399338)


   

Met Glu Cys Ala

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Glu Ser Ser

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Met Gly Asp Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Gly Met Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanamido]butanedioic acid

C16H28N4O7S2 (452.1399338)


   

Met Met Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C16H28N4O7S2 (452.1399338)


   

Met Met Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetamido}butanedioic acid

C16H28N4O7S2 (452.1399338)


   

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)


   

Met Ser Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Met Ser Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Met Ser Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]pentanedioic acid

C16H28N4O9S (452.15769180000007)


   

Met Ser Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

Met Thr Asp Ser

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

C16H28N4O9S (452.15769180000007)


   

Met Thr Ser Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

Asn Cys Cys Asn

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

Asn Cys Asn Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

Asn Asn Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C14H24N6O7S2 (452.11478339999996)


   

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 Asp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Asp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O9S (452.15769180000007)


   

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)


   

Ser Glu Met Ser

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Glu Ser Met

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Met Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Met Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Met Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]pentanedioic acid

C16H28N4O9S (452.15769180000007)


   

Ser Met Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

Ser Ser Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Ser Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C16H28N4O9S (452.15769180000007)


   

Ser Thr Asp Met

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

Ser Thr Met Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

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 Cys Glu Thr

(4S)-4-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Cys Thr Glu

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

C16H28N4O9S (452.15769180000007)


   

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)


   

Thr Asp Met Ser

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Asp Ser Met

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Glu Cys Thr

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Glu Thr Cys

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Met Asp Ser

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

C16H28N4O9S (452.15769180000007)


   

Thr Met Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

Thr Ser Asp Met

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C16H28N4O9S (452.15769180000007)


   

Thr Ser Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C16H28N4O9S (452.15769180000007)


   

Thr Thr Cys Glu

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

C16H28N4O9S (452.15769180000007)


   

Thr Thr Glu Cys

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

C16H28N4O9S (452.15769180000007)


   

Val Cys Cys Glu

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

C16H28N4O7S2 (452.1399338)


   

Val Cys Glu Cys

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

C16H28N4O7S2 (452.1399338)


   

Val Glu Cys Cys

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

C16H28N4O7S2 (452.1399338)


   

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

Catechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)


   

Epicatechin 5-O-beta-D-glucopyranoside

Epicatechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)


   

Catechin 7-O-beta-D-glucopyranoside

Catechin 7-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)


   

Catechin 4-O-beta-D-glucopyranoside

Catechin 4-O-beta-D-glucopyranoside

C21H24O11 (452.13185539999995)


   

9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

C24H20O9 (452.110727)


   

Cinchonain Ic

Cinchonain Ic

C24H20O9 (452.110727)


   

Epigallocatechin 3-O-p-coumarate

Epigallocatechin 3-O-p-coumarate

C24H20O9 (452.110727)


   

(-)-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)


   

4,5,6,7-tetraphenylisobenzofuran-1,3-dione

4,5,6,7-tetraphenylisobenzofuran-1,3-dione

C32H20O3 (452.14123700000005)


   

17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione

17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione

C24H30Cl2O4 (452.152104)


   

cadmium cyclohexanebutyrate

cadmium cyclohexanebutyrate

C20H34CdO4 (452.14905740000006)


   

barium isononanoate

barium isononanoate

C18H34BaO4 (452.15093240000004)


   

4-[6-(1-benzylpyrrol-2-yl)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one

4-[6-(1-benzylpyrrol-2-yl)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one

C26H20N4O4 (452.14844800000003)


   

CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)

CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)

C20H35N2OPRu (452.153027)


   

fostriecin

fostriecin

C19H26NaO9P (452.1212076)


   

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

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

C17H19ClN2O.C4H6O6 (452.135021)


   

Isopropylidene ziprasidone

Isopropylidene ziprasidone

C24H25ClN4OS (452.143751)


   

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

C13H26F6N2O4S2 (452.1238108)


   

Anthracene,2-chloro-9,10-bis(4-ethoxyphenyl)-

Anthracene,2-chloro-9,10-bis(4-ethoxyphenyl)-

C30H25ClO2 (452.154298)


   

2-(4-Quinolyl)malondialdehyde sesquihydrate

2-(4-Quinolyl)malondialdehyde sesquihydrate

C24H24N2O7 (452.1583434)


   

Aiphanol

Aiphanol

C25H24O8 (452.1471104)


A lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3. It is a stilbenolignan isolated from the seeds of Aiphanes aculeata and exhibits potent inhibitory efficacy against cyclooxygenase-1 and -2 (COX-1 and COX-2).

   

6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C23H24N4O4S (452.1518184)


   

Ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate

Ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate

C24H24N2O7 (452.1583434)


   

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

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.

   

Methotrexate(2-)

Methotrexate(2-)

C20H20N8O5-2 (452.155659)


   

(-)-epicatechin-3-O-glucoside

(-)-epicatechin-3-O-glucoside

C21H24O11 (452.13185539999995)


   

N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-aspartic acid

N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-aspartic acid

C20H24N2O10 (452.1430884)


   

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

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

C21H24O11 (452.13185539999995)


   

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C16H28N4O7S2 (452.1399338)


   

5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one

5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one

C25H24O8 (452.1471104)


An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2, 4 and 5, a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus.

   

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

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

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

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

C23H21ClN4O4 (452.12512560000005)


   

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide

C19H22Cl2N6O3 (452.1130362)


   

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide

C19H22Cl2N6O3 (452.1130362)


   

2-[4-Chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester

2-[4-Chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester

C24H21ClN2O5 (452.11389260000004)


   

[4-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone

[4-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone

C25H20N6O3 (452.159681)


   

3,4-dimethoxy-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide

3,4-dimethoxy-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide

C23H24N4O4S (452.1518184)


   

2-{[(4-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}phenyl)carbonyl]amino}benzoic acid

2-{[(4-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}phenyl)carbonyl]amino}benzoic acid

C24H21ClN2O5 (452.11389260000004)


   

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

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

C19H29BrN6S (452.1357654)


   

Xanthonolignoid A B676297K281

Xanthonolignoid A B676297K281

C24H20O9 (452.110727)


   

Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate

Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate

C25H24O8 (452.1471104)


   

5alpha-Androstane-3beta,17beta-diol disulfate

5alpha-Androstane-3beta,17beta-diol disulfate

C19H32O8S2 (452.15385119999996)


   

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

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

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

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)


   

(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid

(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid

C15H27N5O9P+ (452.1546322)


   

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

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

C21H24O11 (452.13185539999995)


   

9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

C25H24O8 (452.1471104)


   

(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

(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

Catechin 7-glucoside

C21H24O11 (452.13185539999995)


   

Viniferifuran

Viniferifuran

C28H20O6 (452.125982)


   

5alpha-Androstane-3alpha,17beta-diol disulfate

5alpha-Androstane-3alpha,17beta-diol disulfate

C19H32O8S2 (452.15385119999996)


   

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

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

C21H24O11 (452.13185539999995)


   

(+)-Catechin 8-C-glucoside

(+)-Catechin 8-C-glucoside

C21H24O11 (452.13185539999995)


   

(+)-Catechin 6-C-glucoside

(+)-Catechin 6-C-glucoside

C21H24O11 (452.13185539999995)


   

5alpha-Androstane-3beta,17alpha-diol disulfate

5alpha-Androstane-3beta,17alpha-diol disulfate

C19H32O8S2 (452.15385119999996)


   

Catechin 3-glucoside

Catechin 3-glucoside

C21H24O11 (452.13185539999995)


   

(-)-Epicatechin 6-C-glucoside

(-)-Epicatechin 6-C-glucoside

C21H24O11 (452.13185539999995)


   

(-)-Epicatechin 8-C-glucoside

(-)-Epicatechin 8-C-glucoside

C21H24O11 (452.13185539999995)


   

Cinchonain 1a

Cinchonain 1a

C24H20O9 (452.110727)


   

Epicatechin 3-O-beta-D-glucoside

Epicatechin 3-O-beta-D-glucoside

C21H24O11 (452.13185539999995)


   

Androstanediol disulfate

Androstanediol disulfate

C19H32O8S2 (452.15385119999996)


   

ST 18:1;O8;S

ST 18:1;O8;S

C18H28O11S (452.13522580000006)


   

ST 21:6;O6;S

ST 21:6;O6;S

C21H24O9S (452.1140974)


   

ST 22:5;O5;S

ST 22:5;O5;S

C22H28O8S (452.1504808)


   

Glutaminase-IN-3

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].

   

IEM-1460

IEM-1460

C19H38Br2N2 (452.14015479999995)


IEM-1460 blocks both AMPA and NMDA glutamate receptor with anticonvulsant effect in vivo[1].

   

Methiothepin (mesylate)

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).

   

4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.110727)


   

(2s,3s)-9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

(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

(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)


   

(2r,3r)-9-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-9-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

(16s)-16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one

(16s)-16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one

C25H24O8 (452.1471104)


   

3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

C25H24O8 (452.1471104)


   

(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

(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

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)


   

(8r)-5-hydroxy-8-(prop-1-en-2-yl)-2-[(3s,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-8h,9h-furo[2,3-h]chromen-4-one

(8r)-5-hydroxy-8-(prop-1-en-2-yl)-2-[(3s,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-8h,9h-furo[2,3-h]chromen-4-one

C25H24O8 (452.1471104)


   

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

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

C21H24O11 (452.13185539999995)


   

[(2s,3s,4r)-4-(carboxymethyl)-3-hydroxy-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-3-yl]acetic acid

[(2s,3s,4r)-4-(carboxymethyl)-3-hydroxy-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-3-yl]acetic acid

C17H24O14 (452.1166004)


   

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

{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"}

   

(4R,8R,9R)-4,8-bis(3,4-dihydroxyphenyl)-5,9-dihydroxy-4,8,9,10-tetrahydro-3H-pyrano[6,5-h]chromen-2-one

NA

C24H20O9 (452.110727)


{"Ingredient_id": "HBIN010873","Ingredient_name": "(4R,8R,9R)-4,8-bis(3,4-dihydroxyphenyl)-5,9-dihydroxy-4,8,9,10-tetrahydro-3H-pyrano[6,5-h]chromen-2-one","Alias": "NA","Ingredient_formula": "C24H20O9","Ingredient_Smile": "NA","Ingredient_weight": "452.41","OB_score": "58.1634287","CAS_id": "85081-22-7","SymMap_id": "SMIT13323","TCMID_id": "NA","TCMSP_id": "MOL012579","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone

NA

C25H24O8 (452.1471104)


{"Ingredient_id": "HBIN011733","Ingredient_name": "5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "CC(=O)OC1C(C(OC2=CC(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)OC)(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

anticancerstilbenolignan pmv70p691-042

NA

C25H24O8 (452.1471104)


{"Ingredient_id": "HBIN016364","Ingredient_name": "anticancerstilbenolignan pmv70p691-042","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1448","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

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

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

C28H20O6 (452.125982)


   

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

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

C21H24O11 (452.13185539999995)


   

3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

C25H24O8 (452.1471104)


   

(1r,2r,4as,5s,5's,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

(1r,2r,4as,5s,5's,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.123788)


   

[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

C21H24O11 (452.13185539999995)


   

3-hydroxy-9-{[(2s,3r)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

3-hydroxy-9-{[(2s,3r)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

C24H20O9 (452.110727)


   

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

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

C21H24O11 (452.13185539999995)


   

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

(2r,3r,4r,5s,6r)-2-{[(2r,3r)-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)


   

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.110727)


   

(5r,5'r)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

(5r,5'r)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

C20H24N2O10 (452.1430884)


   

5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

C20H24N2O10 (452.1430884)


   

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

1-(2,6-dihydroxy-4-{[(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)


   

(4r,5s,14s)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

(4r,5s,14s)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.110727)


   

3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

C28H20O6 (452.125982)


   

(2r,3r)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.123788)


   

12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate

9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate

C25H24O8 (452.1471104)


   

(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-4-methoxybenzoate

(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-4-methoxybenzoate

C21H24O11 (452.13185539999995)


   

2-[3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one

2-[3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one

C25H24O8 (452.1471104)


   

catechin-5-o-glucoside

catechin-5-o-glucoside

C21H24O11 (452.13185539999995)


   

(4s,5s)-5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

(4s,5s)-5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

C28H20O6 (452.125982)


   

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

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

C21H24O11 (452.13185539999995)


   

(6s,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6s,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.110727)


   

(1r,2r,4as,5s,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

(1r,2r,4as,5s,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.123788)


   

9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

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

(2r,3r)-2-(3,4-dihydroxyphenyl)-6-[(2s,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)


   

(3s)-3-methyl-8-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione

(3s)-3-methyl-8-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione

C25H24O8 (452.1471104)


   

(2r,3r,7s)-4-oxo-2-(3,4,5-trimethoxyphenyl)-5,13-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),9,11,14-tetraen-3-yl acetate

(2r,3r,7s)-4-oxo-2-(3,4,5-trimethoxyphenyl)-5,13-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),9,11,14-tetraen-3-yl acetate

C25H24O8 (452.1471104)


   

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

(2s,3r,4s,5s,6r)-2-{[(2r,3r)-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)


   

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

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

C28H20O6 (452.125982)


   

10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

C25H24O8 (452.1471104)


   

(8s)-2-[(2r,3r)-3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one

(8s)-2-[(2r,3r)-3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one

C25H24O8 (452.1471104)


   

4-methyl-6-oxo-2,3-dihydropyran-3-yl (2z)-3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

4-methyl-6-oxo-2,3-dihydropyran-3-yl (2z)-3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

C21H24O11 (452.13185539999995)


   

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

(2s,3r,4s,5s,6r)-2-{[(2s,3r)-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)


   

(6r,7s,9r,10s)-7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

(6r,7s,9r,10s)-7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

C28H20O6 (452.125982)


   

catechin-7-o-glucoside

catechin-7-o-glucoside

C21H24O11 (452.13185539999995)


   

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl 4,5-dihydroxyhex-2-enoate

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl 4,5-dihydroxyhex-2-enoate

C24H20O9 (452.110727)


   

(6r,12r,13r)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6r,12r,13r)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.110727)


   

(2s,3s)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.110727)


   

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.110727)


   

ethyl (2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

ethyl (2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

C24H20O9 (452.110727)


   

(3r,3as,8r,8as)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

(3r,3as,8r,8as)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

C25H24O8 (452.1471104)


   

methyl 9-[(acetyloxy)methyl]-5,7-dihydroxy-2,2-dimethyl-6,11-dioxo-1-oxatetracene-8-carboxylate

methyl 9-[(acetyloxy)methyl]-5,7-dihydroxy-2,2-dimethyl-6,11-dioxo-1-oxatetracene-8-carboxylate

C24H20O9 (452.110727)


   

(4r,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

(4r,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.110727)


   

(9r,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

(9r,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

C25H24O8 (452.1471104)


   

(5r,5's)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

(5r,5's)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone

C20H24N2O10 (452.1430884)


   

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

(2s,3s,4s,5s,6s)-2-{[(2r,3r)-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)


   

(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2h,3h-phenanthro[2,1-b]furan-8,10-diol

(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2h,3h-phenanthro[2,1-b]furan-8,10-diol

C28H20O6 (452.125982)


   

3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

C25H24O8 (452.1471104)


   

5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

C28H20O6 (452.125982)


   

(3s)-1-(2,4-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one

(3s)-1-(2,4-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one

C21H24O11 (452.13185539999995)


   

cinchonain-ib

cinchonain-ib

C24H20O9 (452.110727)


   

(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-6-methoxybenzoate

(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-6-methoxybenzoate

C21H24O11 (452.13185539999995)


   

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

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

C21H24O11 (452.13185539999995)


   

16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one

16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one

C25H24O8 (452.1471104)


   

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (2z,4r,5s)-4,5-dihydroxyhex-2-enoate

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (2z,4r,5s)-4,5-dihydroxyhex-2-enoate

C24H20O9 (452.110727)


   

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.110727)


   

8-(3,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-5-yl acetate

8-(3,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-5-yl acetate

C25H24O8 (452.1471104)


   

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

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

C28H20O6 (452.125982)


   

(3r,4s,5r)-3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid

(3r,4s,5r)-3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid

C25H24O8 (452.1471104)


   

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

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

C28H20O6 (452.125982)


   

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

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

C21H24O11 (452.13185539999995)


   

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

(2s,3r,4s,5s,6s)-2-{[(2r,3s)-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)


   

3-hydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

3-hydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

C24H20O9 (452.110727)


   

(9r,10s)-9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate

(9r,10s)-9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate

C25H24O8 (452.1471104)


   

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

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

C21H24O11 (452.13185539999995)


   

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

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

C21H24O11 (452.13185539999995)


   

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

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,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)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H24O11 (452.13185539999995)


   

5-hydroxy-2-(hydroxymethyl)-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

5-hydroxy-2-(hydroxymethyl)-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

C21H24O11 (452.13185539999995)


   

(6r,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6r,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.110727)


   

(3s,3ar,8s,8ar)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

(3s,3ar,8s,8ar)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol

C25H24O8 (452.1471104)


   

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

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

C28H20O6 (452.125982)


   

3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid

3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid

C25H24O8 (452.1471104)


   

7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

C28H20O6 (452.125982)


   

(9s,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

(9s,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate

C25H24O8 (452.1471104)


   

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

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

C21H24O11 (452.13185539999995)


   

5-hydroxy-2-(hydroxymethyl)-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

5-hydroxy-2-(hydroxymethyl)-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

C21H24O11 (452.13185539999995)


   

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

(2r,5s)-2-{[(2r,3s)-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)


   

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

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

C21H24O11 (452.13185539999995)


   

(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-6-methoxybenzoate

(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-6-methoxybenzoate

C21H24O11 (452.13185539999995)


   

ethyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

ethyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

C24H20O9 (452.110727)


   

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

(2r,3r,4s,5r,6r)-2-{[(2r,3s)-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)


   

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

(2r,3r,4s,5s,6r)-2-{[(2r,3r)-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)


   

5-{2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol

5-{2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol

C25H24O8 (452.1471104)


   

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

(2r,3r,4s,5s,6r)-2-{[(2r,3s)-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)


   

(3s)-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione

(3s)-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione

C25H24O8 (452.1471104)


   

(1r,16r)-9,16-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

(1r,16r)-9,16-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)


   

(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-4-methoxybenzoate

(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-4-methoxybenzoate

C21H24O11 (452.13185539999995)


   

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.110727)


   

{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4-dihydroxybenzoate

{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4-dihydroxybenzoate

C21H24O11 (452.13185539999995)


   

(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

C25H24O8 (452.1471104)


   

(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one

C25H24O8 (452.1471104)


   

(2s,3r,4r,5s,6r)-2-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4r,5s,6r)-2-[3-(3,4-dimethoxybenzoyl)-2,4,6-trihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O11 (452.13185539999995)


   

(2r,3r,10r,11r)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

(2r,3r,10r,11r)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

C28H20O6 (452.125982)


   

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

(2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2s,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)


   

(2e)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

(2e)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

C25H24O8 (452.1471104)


   

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

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

C21H24O11 (452.13185539999995)