Exact Mass: 452.0848

Exact Mass Matches: 452.0848

Found 359 metabolites which its exact mass value is equals to given mass value 452.0848, 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 (452.1107)

Acid Orange 3

2-Anilino-5-(2,4-dinitroanilino)-benzenesulfonic acid

C18H13N4NaO7S (452.0403)

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 (452.1319)

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 (452.1319)

(-)-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 (452.1319)

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

C24H20O9 (452.1107)

Viniferifuran

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

C28H20O6 (452.126)

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 (452.1319)

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 (452.1319)

(-)-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.

3,4-Hexahydroxydiphenoylarabinose

3,4,5,13,14,20,21,22-octahydroxy-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione

C19H16O13 (452.0591)

3,4-Hexahydroxydiphenoylarabinose is found in fruits. 3,4-Hexahydroxydiphenoylarabinose is isolated from fruits of Psidium guajava (guava). Isolated from fruits of Psidium guajava (guava). 3,4-Hexahydroxydiphenoylarabinose is found in fruits.

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 (452.1319)

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 (452.1107)

(-)-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 (452.1319)

(-)-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 (452.1319)

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.

Torvanol A

(2E)-3-{4-hydroxy-3-methoxy-5-[6-methoxy-4-(sulphooxy)-3,4-dihydro-2H-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

C20H20O10S (452.0777)

Torvanol A is found in fruits. Torvanol A is a constituent of the fruit of Solanum torvum. Constituent of the fruit of Solanum torvum. Torvanol A is found in fruits.

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 (452.1319)

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

Allura red AC

6-Hydroxy-5-[(e)-2-(2-methoxy-5-methyl-4-sulphophenyl)diazen-1-yl]naphthalene-2-sulphonic acid

C18H16N2O8S2 (452.0348)

Colour additive used in gelatins, puddings, custards, beverages, sauces, toppings, fruits, dairy products, bakery products, jams, jellies, condiments, meat and poultry Allura Red AC is a red azo dye that goes by several names including: Allura Red, Food Red 17, C.I. 16035, FD&C Red 40, 2-naphthalenesulfonic acid, 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-, disodium salt, and disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalene-sulfonate. It is used as a food dye and has the E number E129. Allura Red AC was originally introduced in the United States as a replacement for the use of amaranth as a food coloring. Allura Red AC is one of many High Production Volume Chemicals. Some manufacturers of Allura Red AC include: Asim Products, Sanchi Chemicals Pvt. Ltd., and Warner-Jenkinson Europe Ltd. Upon its introduction into the market, there were fears that Allura Red AC was carcinogenic; however, studies have since shown that this is not the case.[citation needed] The initial reports of its consumption causing tumors have since been shown to have been caused by the presence of para-cresidine.[citation needed] Although para-cresidine is an important reactant in the manufacture of Allura Red AC and is a known carcinogen, further studies conducted since have found no trace of para-cresidine to be present in food-grade Allura Red AC.[citation needed]. Colour additive used in gelatins, puddings, custards, beverages, sauces, toppings, fruits, dairy products, bakery products, jams, jellies, condiments, meat and poultry

(+)-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 (452.1319)

(+)-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 (452.1319)

(+)-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 (452.1319)

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 (452.1319)

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

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

C21H24O11 (452.1319)

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

Lumacaftor

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

C24H18F2N2O5 (452.1184)

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 (452.1319)

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.

Lirodenine

4-{[(4-cyanophenyl)(phenyl)phosphoroso](phenyl)phosphoroso}benzonitrile

C26H18N2O2P2 (452.0843)

Lirodenine is a member of the class of compounds known as benzonitriles. Benzonitriles are organic compounds containing a benzene bearing a nitrile substituent. Lirodenine is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lirodenine can be found in custard apple, which makes lirodenine 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 (452.1166)

Coatline B

C21H24O11 (452.1319)

Epicatechin 3-O-beta-D-allopyranoside

C21H24O11 (452.1319)

Leucopelargonidin 3-O-glucoside

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

C21H24O11 (452.1319)

6-O-Galloylsalidroside

C21H24O11 (452.1319)

Sieboldin

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

C21H24O11 (452.1319)

Catechin 3-O-beta-D-glucopyranoside

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

C21H24O11 (452.1319)

9,10-Dihydroexserohilone

C20H24N2O6S2 (452.1076)

Laurentiquinone C

C24H20O9 (452.1107)

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

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

C21H24O11 (452.1319)

cadensin A

C24H20O9 (452.1107)

Epicatechin-5-O-beta-D-glucopyranoside

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

C21H24O11 (452.1319)

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

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

C21H24O11 (452.1319)

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 (452.1319)

Arabinopyranose cyclic 3,4-(4,4,5,5,6,6-hexahydroxydiphenate)

C19H16O13 (452.0591)

Aspalathin

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

C21H24O11 (452.1319)

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

C24H20O9 (452.1107)

Epicatechin 3-O-beta-D-glucopyranoside

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

C21H24O11 (452.1319)

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 (452.1319)

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 (452.1319)

Foramsulfuron

C17H20N6O7S (452.1114)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 2778

Maybridge1_001069

C20H18Cl2N2O4S (452.0364)

MCULE-4478526130

C19H18F6N2O2S (452.0993)

[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

C20H20O12 (452.0955)

C24H20O9

C24H20O9 (452.1107)

vitisinol A

C28H20O6 (452.126)

Olinioside

C21H24O11 (452.1319)

Hemiphloin|Isohemiphloin

C21H24O11 (452.1319)

Polyhydroxyflavonoid glycosides

C20H20O12 (452.0955)

laetevirenol A

C28H20O6 (452.126)

C21H24O11

C21H24O11 (452.1319)

1-O-p-hydroxybenzoyl-6-O-galloyl-beta-D-glucoside|1-O-p-hydroxybenzoyl-6-O-galloyl-beta-glucose

C20H20O12 (452.0955)

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

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

NSC650387

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

telephenone B

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

premithramycinone G

C23H16O10 (452.0743)

2-O-beta-D-(6-O-gentisoylglucopyranosyl)gentisic acid

C20H20O12 (452.0955)

6-O-vanilloylisotachioside

C21H24O11 (452.1319)

6-O-vanilloyltachioside

C21H24O11 (452.1319)

C28H20O6

C28H20O6 (452.126)

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

C24H20O9 (452.1107)

3-methoxy-5-demethoxycadensin G

C24H20O9 (452.1107)

roxburghiol A

C28H20O6 (452.126)

vitisinol G

C28H20O6 (452.126)

SCHEMBL14805569

C24H20O9 (452.1107)

foliamangiferoside B

C21H24O11 (452.1319)

dobiniside A

C21H24O11 (452.1319)

Vanilloyl calleryanin|vanilloylcalleryanin

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

7-O-Methylmangiferin

C20H20O12 (452.0955)

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

C21H24O11 (452.1319)

Nuezhenidic acid

C17H24O14 (452.1166)

2-C-beta-D-glycopyranosyl-1,6,7-trihydroxy-3-methoxyxanthone|homomangiferin

C20H20O12 (452.0955)

Flavomentin D

C24H20O9 (452.1107)

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

C21H24O11 (452.1319)

Roccellin

C21H24O11 (452.1319)

2-O-p-hydroxybenzoyl-6-O-galloyl-glucopyranose

C20H20O12 (452.0955)

robustaside E

C21H24O11 (452.1319)

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

Leucoanthocyanin

C21H24O11 (452.1319)

(8S,9R,10Xi)-10-iodo-6-methoxy-10,11-dihydro-cinchonan-9-ol|(8S,9R,10Xi)-10-Jod-6-methoxy-10,11-dihydro-cinchonan-9-ol

C20H25IN2O2 (452.0961)

4-O-Methylpeniosanguin

C27H16O7 (452.0896)

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 (452.1319)

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

epicatechin 8-C-beta-D-glucopyranoside

C21H24O11 (452.1319)

(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 (452.1319)

1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

NCGC00380244-01!1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

C20H20O12 (452.0955)

[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

NCGC00380291-01![(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

C20H20O12 (452.0955)

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 (452.1319)

(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 (452.1319)

(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 (452.1319)

[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate [IIN-based: Match]

NCGC00380291-01![(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate [IIN-based: Match]

C20H20O12 (452.0955)

(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 (452.1319)

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 (452.1222)

Cys Cys Asn Asn

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

C14H24N6O7S2 (452.1148)

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 (452.1222)

Cys Asp Asp Thr

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

C15H24N4O10S (452.1213)

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 (452.1213)

Cys Asp Ser Glu

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

C15H24N4O10S (452.1213)

Cys Asp Thr Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

Cys Glu Ser Asp

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

C15H24N4O10S (452.1213)

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 (452.1222)

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 (452.1222)

Cys Asn Cys Asn

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

C14H24N6O7S2 (452.1148)

Cys Asn Asn Cys

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

C14H24N6O7S2 (452.1148)

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 (452.1222)

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 (452.1222)

Cys Ser Asp Glu

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

C15H24N4O10S (452.1213)

Cys Ser Glu Asp

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

C15H24N4O10S (452.1213)

Cys Thr Asp Asp

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

C15H24N4O10S (452.1213)

Asp Cys Asp Thr

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

C15H24N4O10S (452.1213)

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 (452.1213)

Asp Cys Ser Glu

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

C15H24N4O10S (452.1213)

Asp Cys Thr Asp

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

C15H24N4O10S (452.1213)

Asp Asp Cys Thr

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

C15H24N4O10S (452.1213)

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 (452.1213)

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 (452.1213)

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 (452.1213)

Asp Ser Cys Glu

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

C15H24N4O10S (452.1213)

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 (452.1213)

Asp Thr Cys Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

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 (452.1213)

Glu Cys Ser Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

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 (452.1213)

Glu Ser Cys Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

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 (452.1222)

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 (452.1222)

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 (452.1222)

Asn Cys Cys Asn

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

C14H24N6O7S2 (452.1148)

Asn Cys Asn Cys

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

C14H24N6O7S2 (452.1148)

Asn Asn Cys Cys

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

C14H24N6O7S2 (452.1148)

Pro Cys Cys Met

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

C16H28N4O5S3 (452.1222)

Pro Cys Met Cys

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

C16H28N4O5S3 (452.1222)

Pro Met Cys Cys

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

C16H28N4O5S3 (452.1222)

Ser Cys Asp Glu

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

C15H24N4O10S (452.1213)

Ser Cys Glu Asp

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

C15H24N4O10S (452.1213)

Ser Asp Cys Glu

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

C15H24N4O10S (452.1213)

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 (452.1213)

Ser Glu Cys Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

Thr Cys Asp Asp

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

C15H24N4O10S (452.1213)

Thr Asp Cys Asp

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

C15H24N4O10S (452.1213)

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 (452.1213)

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 (452.1319)

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 (452.1319)

Catechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.1319)

Epicatechin 5-O-beta-D-glucopyranoside

C21H24O11 (452.1319)

Catechin 7-O-beta-D-glucopyranoside

C21H24O11 (452.1319)

Catechin 4-O-beta-D-glucopyranoside

C21H24O11 (452.1319)

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

C24H20O9 (452.1107)

Cinchonain Ic

C24H20O9 (452.1107)

Epigallocatechin 3-O-p-coumarate

C24H20O9 (452.1107)

(-)-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 (452.1319)

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 (452.1319)

Curry red

6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid

C18H16N2O8S2 (452.0348)

Amurensin H

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

C28H20O6 (452.126)

3,4-Hexahydroxydiphenoylarabinose

3,4,5,13,14,20,21,22-octahydroxy-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(18),2(7),3,5,19,21-hexaene-8,17-dione

C19H16O13 (452.0591)

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 (452.1319)

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 (452.1319)

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 (452.1319)

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 (452.1319)

Torvanol A

(2E)-3-{4-hydroxy-3-methoxy-5-[6-methoxy-4-(sulfooxy)-3,4-dihydro-2H-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

C20H20O10S (452.0777)

(-)-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 (452.1319)

1,5,8-Trihydroxy-4-methoxy-9-oxo-9H-xanthen-3-yl ?-D-glucopyranoside

C20H20O12 (452.0955)

1,6-Bis-O-(3,4-dihydroxybenzoyl)-?-D-glucopyranose

C20H20O12 (452.0955)

Samarium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-

C15H24O6Sm (452.077)

cesium,tetraphenylboranuide

C24H20BCs (452.0712)

1H,1H,2H,2H-PERFLUOROOCTYLMETHYLDIMETHOXYSILANE

C11H13F13O2Si (452.0477)

1-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentof uranose

C21H18Cl2O7 (452.043)

1,1-((1,4-phenylenebis(oxy))bis(4,1-phenylene))bis(1H-pyrrole-2,5-dione)

C26H16N2O6 (452.1008)

(3-trimethylsilyl-2-propynyl)triphenylphosphonium bromide

C24H26BrPSi (452.0725)

Bispyribac sodium

C19H17N4NaO8 (452.0944)

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

N-(6-((4,5-DICYANO-1-METHYL-1H-IMIDAZOL-2-YL)DIAZENYL)-1-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL)-1,1,1-TRIFLUOROMETHANESULFONAMIDE

C17H15F3N8O2S (452.0991)

8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione

C20H17BrN6O2 (452.0596)

1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose

C21H18Cl2O7 (452.043)

ethylenediaminetetraacetic acid tetrasodium salt

C10H20N2Na4O12 (452.0607)

fostriecin

C19H26NaO9P (452.1212)

Solvent black 7

C16H26ClIN2OSi (452.0548)

2-Deoxy-beta-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)

C21H18Cl2O7 (452.043)

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

C13H26F6N2O4S2 (452.1238)

1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate)

C17H24O10S2 (452.0811)

LY-487379

C21H19F3N2O4S (452.1018)

LY487379 is a selective human mGluR2 positive allosteric modulator (PAM). LY487379 potentiates glutamate-stimulated [35S]GTPγS binding with EC50 values of 1.7 μM and >10 μM for mGlu2 and mGlu3 receptors respectively. LY487379 promotes cognitive flexibility and facilitates behavioral inhibition in a rat model. LY487379 can be used for schizophrenia research[2].

BNC-105p free acid

C20H21O10P (452.0872)

Tjp6T3tjp4

C18H16N2O8S2 (452.0348)

D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D004396 - Coloring Agents

Lirodenine

C26H18N2O2P2 (452.0843)

1-(2,6-Difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine

C20H18F2N2O4S2 (452.0676)

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C22H17FN4O4S (452.0954)

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

C21H20N6O4S (452.1267)

Lumacaftor

VX-809(Lumacaftor)

C24H18F2N2O5 (452.1184)

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 (452.1319)

(-)-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.

2-Acetyl-1,3,7,9,11-pentahydroxy-3-(3-oxobutanoyl)cyclopenta[b]anthracene-5,10-dione

C23H16O10 (452.0743)

(-)-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 (452.1319)

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

tetracenomycin A2 epoxyquinone

C23H16O10 (452.0743)

(-)-epicatechin-3-O-glucoside

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

[(1R,2R,3R,4S)-1,3-diacetyloxy-2,4,9-trihydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-11-ylidene]methylideneazanide

C23H18NO9- (452.0982)

Glucoerysolin

C12H22NO11S3- (452.0355)

Flucloxacillin(1-)

C19H16ClFN3O5S- (452.0483)

2-[4-(Benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

C23H20N2O6S (452.1042)

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

C23H21ClN4O4 (452.1251)

Glycosmisic acid sulfate

C20H20O10S (452.0777)

A guaiacyl lignin that is glycosmisic acid in which the alcoholic hydrogen is replaced by a sulfo group.

Glycosmisic acid 4-sulfate

C20H20O10S (452.0777)

A guaiacyl lignin that is glycosmisic acid in which the phenolic hydrogen is replaced by a sulfo group.

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

C26H20N4O2S (452.1307)

2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

C21H17FN6O3S (452.1067)

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

C23H21ClN4O4 (452.1251)

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

C19H22Cl2N6O3 (452.113)

2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide

C19H21ClN4O3S2 (452.0744)

[2-[(2-Bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone

C22H21BrN4O2 (452.0848)

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

C19H22Cl2N6O3 (452.113)

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

C24H21ClN2O5 (452.1139)

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

C24H21ClN2O5 (452.1139)

torvanol A hydrogen sulfate

C20H20O10S (452.0777)

Xanthonolignoid A B676297K281

C24H20O9 (452.1107)

Isoniazid calcium pyruvate

C18H16CaN6O6 (452.0757)

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

C21H24O11 (452.1319)

cyclohex-1,4-dienecarboxyl-AMP

C17H19N5O8P- (452.0971)

cyclohex-2,5-dienecarboxyl-AMP

C17H19N5O8P- (452.0971)

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

C21H24O11 (452.1319)

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

C21H24O11 (452.1319)

4-[2,5-dimethyl-3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide

C22H20N4O3S2 (452.0977)

[(2R,4R,5R)-3,4,6-trihydroxy-5-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O12 (452.0955)

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] pyridine-3-carboxylate

C16H17N6O8P (452.0845)

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

C21H24O11 (452.1319)

1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

C20H20O12 (452.0955)

(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 (452.1319)

Catechin 7-glucoside

C21H24O11 (452.1319)

Viniferifuran

C28H20O6 (452.126)

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

C21H24O11 (452.1319)

(+)-Catechin 8-C-glucoside

C21H24O11 (452.1319)

(+)-Catechin 6-C-glucoside

C21H24O11 (452.1319)

Catechin 3-glucoside

C21H24O11 (452.1319)

(-)-Epicatechin 6-C-glucoside

C21H24O11 (452.1319)

(-)-Epicatechin 8-C-glucoside

C21H24O11 (452.1319)

Cinchonain 1a

C24H20O9 (452.1107)

Epicatechin 3-O-beta-D-glucoside

C21H24O11 (452.1319)

ST 21:6;O6;S

C21H24O9S (452.1141)

Glutaminase-IN-3

C19H19F3N6O2S (452.1242)

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

Methiothepin (mesylate)

C21H28N2O3S3 (452.1262)

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).

Rovazolac

C21H19F3N2O4S (452.1018)

Rovazolac is a liver x receptor (LXR) modulator extracted from patent WO2013130892A1.

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 (452.1107)

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

C24H20O9 (452.1107)

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

C20H20O12 (452.0955)

(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 (452.126)

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

C24H20O9 (452.1107)

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

C20H20O12 (452.0955)

(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 (452.1319)

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 (452.1319)

(1r,4s,5s,9r,11r,14s,15s,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icos-6-ene-2,8,12,18-tetrone

C20H24N2O6S2 (452.1076)

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

C21H24O11 (452.1319)

[(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 (452.1166)

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

C21H24O11 (452.1319)

3-hydroxyphlorizin

3-hydroxy-phlorizin

C21H24O11 (452.1319)

{"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

C24H20O9 (452.1107)

{"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"}