Exact Mass: 452.0954494
Exact Mass Matches: 452.0954494
Found 341 metabolites which its exact mass value is equals to given mass value 452.0954494,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinchonain Ib
Aspalathin
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
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
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
Viniferifuran
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
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
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.
3,4-Hexahydroxydiphenoylarabinose
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
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
(-)-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
C21H24O11 (452.13185539999995)
(-)-Epicatechin-3-O-glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)
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.
Torvanol A
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
C21H24O11 (452.13185539999995)
Precarthamin is found in fats and oils. Red pigment from the flowers of Carthamus tinctorius (safflower
(+)-Catechin 6-C-glucoside
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
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
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
C21H24O11 (452.13185539999995)
(-)-Epicatechin 8-C-galactoside is found in cocoa and cocoa products. (-)-Epicatechin 8-C-galactoside is a constituent of cacao liquor (Theobroma cacao).
3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid
C21H24O11 (452.13185539999995)
Maltohexaose is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Maltohexaose is soluble (in water) and a very weakly acidic compound (based on its pKa). A 1,4-alpha-D-glucan reacts with H2O to produce maltohexaose. alpha-Amylase is responsible for catalyzing the reaction.
Lumacaftor
C24H18F2N2O5 (452.11837219999995)
C87006 - Pharmacological Chaperone
3-Hydroxyphloretin 2'-O-glucoside
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.
Lirodenine
C26H18N2O2P2 (452.08434679999993)
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
Epicatechin 3-O-beta-D-allopyranoside
C21H24O11 (452.13185539999995)
Leucopelargonidin 3-O-glucoside
C21H24O11 (452.13185539999995)
Sieboldin
C21H24O11 (452.13185539999995)
Catechin 3-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
Catechin-4-ol 3-O-alpha-L-rhamnopyranoside
C21H24O11 (452.13185539999995)
Epicatechin-5-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
ent-Catechin 7-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
Epicatechin 8-C-beta-D-galactoside
C21H24O11 (452.13185539999995)
Arabinopyranose cyclic 3,4-(4,4,5,5,6,6-hexahydroxydiphenate)
Aspalathin
C21H24O11 (452.13185539999995)
A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity.
Epicatechin 3-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
6-C-Glucopyranosylcatechin
C21H24O11 (452.13185539999995)
6-C-Glucopyranosylepicatechin
C21H24O11 (452.13185539999995)
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
C20H20O12 (452.09547200000003)
1-O-p-hydroxybenzoyl-6-O-galloyl-beta-D-glucoside|1-O-p-hydroxybenzoyl-6-O-galloyl-beta-glucose
C20H20O12 (452.09547200000003)
1-Benzoyl,2,3,4,6-tetra-Ac-alpha-D-Pyranose-Glucose
C21H24O11 (452.13185539999995)
3-hydroxy phloridzin|3-hydroxyphioreti 4-O-beta glucoside|3-hydroxyphloridzin|3-Hydroxyphlorizin|Phlo-OH
C21H24O11 (452.13185539999995)
2-(3,4-dihydroxyphenyl)ethyl 6-O-protocatechuoyl-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
4-beta-D-glucopyranosyloxy-3-hydroxybenzyl 4-O-methylprotocatechuate|oreganol-B
C21H24O11 (452.13185539999995)
2-O-beta-D-(6-O-gentisoylglucopyranosyl)gentisic acid
C20H20O12 (452.09547200000003)
4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone
Vanilloyl calleryanin|vanilloylcalleryanin
C21H24O11 (452.13185539999995)
4-hydroxy-2-methoxyphenol beta-D-{3-O-[4-hydroxy-3-methoxy(benzoate)]glucopyranoside}
C21H24O11 (452.13185539999995)
1-(3-hydroxy-4,5-dimethoxyphenyl)-6-(p-hydroxybenzoyl)-beta-D-glucopyranose|dunnianoside F
C21H24O11 (452.13185539999995)
2-C-beta-D-glycopyranosyl-1,6,7-trihydroxy-3-methoxyxanthone|homomangiferin
C20H20O12 (452.09547200000003)
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)
2-O-p-hydroxybenzoyl-6-O-galloyl-glucopyranose
C20H20O12 (452.09547200000003)
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.
(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 (452.09606999999994)
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine
Curculigoside B
C21H24O11 (452.13185539999995)
Curculigoside B is a natural product found in Curculigo orchioides with data available. Curculigoside B, a phenolic glycoside isolated from Curculigo orchioides, enhances the osteoblast proliferation, decreases the area of bone resorption pit, osteoclastic formation and TRAP activity. Antiosteoporotic and antioxidative activities[1]. Curculigoside B, a phenolic glycoside isolated from Curculigo orchioides, enhances the osteoblast proliferation, decreases the area of bone resorption pit, osteoclastic formation and TRAP activity. Antiosteoporotic and antioxidative activities[1].
epicatechin 8-C-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C21H24O11 (452.13185539999995)
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 (452.09547200000003)
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
C20H20O12 (452.09547200000003)
C21H24O11_(3R,3R,4R,6S,7R)-5-Hydroxy-6,7-dimethyl-6,8-dioxo-3,4,4,5,6,6,7,8-octahydrospiro[isochromene-3,2-pyran]-3,4,7-triyl triacetate
C21H24O11 (452.13185539999995)
(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one
C21H24O11 (452.13185539999995)
(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
C21H24O11 (452.13185539999995)
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate [IIN-based: Match]
C20H20O12 (452.09547200000003)
(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
Ala Cys Met Glu
Ala Glu Cys Met
Ala Glu Met Cys
Ala Met Cys Glu
Ala Met Glu Cys
Cys Ala Glu Met
Cys Ala Met Glu
Cys Cys Asp Ile
Cys Cys Asp Leu
Cys Cys Glu Val
Cys Cys Ile Asp
Cys Cys Leu Asp
Cys Cys Met Pro
C16H28N4O5S3 (452.12217580000004)
Cys Cys Asn Asn
C14H24N6O7S2 (452.11478339999996)
Cys Cys Pro Met
C16H28N4O5S3 (452.12217580000004)
Cys Cys Val Glu
Cys Asp Cys Ile
Cys Asp Cys Leu
Cys Asp Asp Thr
Cys Asp Glu Ser
Cys Asp Ile Cys
Cys Asp Leu Cys
Cys Asp Ser Glu
Cys Asp Thr Asp
Cys Glu Ala Met
Cys Glu Cys Val
Cys Glu Asp Ser
Cys Glu Met Ala
Cys Glu Ser Asp
Cys Glu Val Cys
Cys Ile Cys Asp
Cys Ile Asp Cys
Cys Leu Cys Asp
Cys Leu Asp Cys
Cys Met Ala Glu
Cys Met Cys Pro
C16H28N4O5S3 (452.12217580000004)
Cys Met Glu Ala
Cys Met Pro Cys
C16H28N4O5S3 (452.12217580000004)
Cys Asn Cys Asn
C14H24N6O7S2 (452.11478339999996)
Cys Asn Asn Cys
C14H24N6O7S2 (452.11478339999996)
Cys Pro Cys Met
C16H28N4O5S3 (452.12217580000004)
Cys Pro Met Cys
C16H28N4O5S3 (452.12217580000004)
Cys Ser Asp Glu
Cys Ser Glu Asp
Cys Thr Asp Asp
Cys Val Cys Glu
Cys Val Glu Cys
Asp Cys Cys Ile
Asp Cys Cys Leu
Asp Cys Asp Thr
Asp Cys Glu Ser
Asp Cys Ile Cys
Asp Cys Leu Cys
Asp Cys Ser Glu
Asp Cys Thr Asp
Asp Asp Cys Thr
Asp Asp Thr Cys
Asp Glu Cys Ser
Asp Glu Ser Cys
Asp Gly Met Met
Asp Ile Cys Cys
Asp Leu Cys Cys
Asp Met Gly Met
Asp Met Met Gly
Asp Ser Cys Glu
Asp Ser Glu Cys
Asp Thr Cys Asp
Asp Thr Asp Cys
Glu Ala Cys Met
Glu Ala Met Cys
Glu Cys Ala Met
Glu Cys Cys Val
Glu Cys Asp Ser
Glu Cys Met Ala
Glu Cys Ser Asp
Glu Cys Val Cys
Glu Asp Cys Ser
Glu Asp Ser Cys
Glu Met Ala Cys
Glu Met Cys Ala
Glu Ser Cys Asp
Glu Ser Asp Cys
Glu Val Cys Cys
Gly Asp Met Met
Gly Met Asp Met
Gly Met Met Asp
Ile Cys Cys Asp
Ile Cys Asp Cys
Ile Asp Cys Cys
Leu Cys Cys Asp
Leu Cys Asp Cys
Leu Asp Cys Cys
Met Ala Cys Glu
Met Ala Glu Cys
Met Cys Ala Glu
Met Cys Cys Pro
C16H28N4O5S3 (452.12217580000004)
Met Cys Glu Ala
Met Cys Pro Cys
C16H28N4O5S3 (452.12217580000004)
Met Asp Gly Met
Met Asp Met Gly
Met Glu Ala Cys
Met Glu Cys Ala
Met Gly Asp Met
Met Gly Met Asp
Met Met Asp Gly
Met Met Gly Asp
Met Pro Cys Cys
C16H28N4O5S3 (452.12217580000004)
Asn Cys Cys Asn
C14H24N6O7S2 (452.11478339999996)
Asn Cys Asn Cys
C14H24N6O7S2 (452.11478339999996)
Asn Asn Cys Cys
C14H24N6O7S2 (452.11478339999996)
Pro Cys Cys Met
C16H28N4O5S3 (452.12217580000004)
Pro Cys Met Cys
C16H28N4O5S3 (452.12217580000004)
Pro Met Cys Cys
C16H28N4O5S3 (452.12217580000004)
Ser Cys Asp Glu
Ser Cys Glu Asp
Ser Asp Cys Glu
Ser Asp Glu Cys
Ser Glu Cys Asp
Ser Glu Asp Cys
Thr Cys Asp Asp
Thr Asp Cys Asp
Thr Asp Asp Cys
Val Cys Cys Glu
Val Cys Glu Cys
Val Glu Cys Cys
8-C-Glucopyranosylepicatechin
C21H24O11 (452.13185539999995)
8-C-Glucopyranosylcatechin
C21H24O11 (452.13185539999995)
Catechin 5-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
Epicatechin 5-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
Catechin 7-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
Catechin 4-O-beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
(-)-epicatechin-3-O-glucuronide
C21H24O11 (452.13185539999995)
Precarthamin
C21H24O11 (452.13185539999995)
Amurensin H
3,4-Hexahydroxydiphenoylarabinose
7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)
C21H24O11 (452.13185539999995)
Epicatechin 3-glucoside
C21H24O11 (452.13185539999995)
Catechin 3'-glucoside
C21H24O11 (452.13185539999995)
Catechin 5-glucoside
C21H24O11 (452.13185539999995)
Torvanol A
(-)-Epicatechin 8-C-galactoside
C21H24O11 (452.13185539999995)
1,5,8-Trihydroxy-4-methoxy-9-oxo-9H-xanthen-3-yl ?-D-glucopyranoside
C20H20O12 (452.09547200000003)
1,6-Bis-O-(3,4-dihydroxybenzoyl)-?-D-glucopyranose
C20H20O12 (452.09547200000003)
Samarium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-
1H,1H,2H,2H-PERFLUOROOCTYLMETHYLDIMETHOXYSILANE
C11H13F13O2Si (452.04771939999995)
1,1-((1,4-phenylenebis(oxy))bis(4,1-phenylene))bis(1H-pyrrole-2,5-dione)
(3-trimethylsilyl-2-propynyl)triphenylphosphonium bromide
C24H26BrPSi (452.07246660000004)
Bispyribac sodium
C19H17N4NaO8 (452.09440420000004)
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
8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
C20H17BrN6O2 (452.05962819999996)
2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-Dihydroxybutanedioate
C17H19ClN2O.C4H6O6 (452.135021)
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate)
C17H24O10S2 (452.08108439999995)
LY-487379
C21H19F3N2O4S (452.1017570000001)
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].
1-(2,6-Difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine
C20H18F2N2O4S2 (452.06760119999996)
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
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)
(-)-Epicatechin 8-C-galactoside
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.
2-Acetyl-1,3,7,9,11-pentahydroxy-3-(3-oxobutanoyl)cyclopenta[b]anthracene-5,10-dione
(-)-epicatechin-3'-O-glucuronide
C21H24O11 (452.13185539999995)
(-)-Epicatechin-3-O-glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-aspartic acid
3,5,7,9,11,13,15,17,19-Nonaoxohenicosanoic acid
C21H24O11 (452.13185539999995)
[(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
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
2-[4-(Benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
C23H20N2O6S (452.10420200000004)
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
C23H21ClN4O4 (452.12512560000005)
Glycosmisic acid sulfate
A guaiacyl lignin that is glycosmisic acid in which the alcoholic hydrogen is replaced by a sulfo group.
Glycosmisic acid 4-sulfate
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
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
C21H17FN6O3S (452.10668239999995)
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
2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide
C19H21ClN4O3S2 (452.07435460000005)
[2-[(2-Bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone
N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide
2-[4-Chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester
C24H21ClN2O5 (452.11389260000004)
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
3,4,5-Trihydroxy-6-[3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy]oxane-2-carboxylic acid
C21H24O11 (452.13185539999995)
3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-(7-methoxy-2-oxochromen-8-yl)but-3-en-2-yl]oxyoxane-2-carboxylic acid
C21H24O11 (452.13185539999995)
2-(3-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,6,7-tetrol
C21H24O11 (452.13185539999995)
4-[2,5-dimethyl-3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide
C22H20N4O3S2 (452.09767700000003)
[(2R,4R,5R)-3,4,6-trihydroxy-5-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H20O12 (452.09547200000003)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] pyridine-3-carboxylate
C16H17N6O8P (452.08454520000004)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl beta-D-glucopyranoside
C21H24O11 (452.13185539999995)
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 (452.09547200000003)
(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)
2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]phenyl b-D-glucopyranoside, 9ci
C21H24O11 (452.13185539999995)
Glutaminase-IN-3
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
C19H38Br2N2 (452.14015479999995)
IEM-1460 blocks both AMPA and NMDA glutamate receptor with anticonvulsant effect in vivo[1].
Methiothepin (mesylate)
C21H28N2O3S3 (452.12619780000006)
Methiothepin (Metitepine) mesylate is a potent and non-selective 5-HT2 receptor antagonist, with pKds of 7.10 (5-HT1A), 7.28 (5HT1B), 7.56 (5HT1C), 6.99 (5HT1D), 7.0 (5-HT5A), 7.8 (5-HT5B), 8.74 (5-HT6), and 8.99 (5-HT7), and pKis of 8.50 (5HT2A), 8.68 (5HT2B), and 8.35 (5HT2C).
Rovazolac
C21H19F3N2O4S (452.1017570000001)
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
(2s,3s)-9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
[(2r,3s,4s,5r,6r)-3,4,6-trihydroxy-5-(4-hydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H20O12 (452.09547200000003)
(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
(2r,3r)-9-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H20O12 (452.09547200000003)
(2s)-1-{2,4-dihydroxy-3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
C21H24O11 (452.13185539999995)
2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
C21H24O11 (452.13185539999995)
(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
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
{3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
C21H24O11 (452.13185539999995)