Exact Mass: 452.0757
Exact Mass Matches: 452.0757
Found 204 metabolites which its exact mass value is equals to given mass value 452.0757
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinchonain Ib
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
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.
(-)-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.
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.
Allura red AC
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
Lumacaftor
C87006 - Pharmacological Chaperone
Lirodenine
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
Arabinopyranose cyclic 3,4-(4,4,5,5,6,6-hexahydroxydiphenate)
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
1-O-p-hydroxybenzoyl-6-O-galloyl-beta-D-glucoside|1-O-p-hydroxybenzoyl-6-O-galloyl-beta-glucose
2-O-beta-D-(6-O-gentisoylglucopyranosyl)gentisic acid
4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone
2-C-beta-D-glycopyranosyl-1,6,7-trihydroxy-3-methoxyxanthone|homomangiferin
(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
1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate [IIN-based: Match]
Cys Cys Met Pro
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Cys Asp Ser Glu
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Asp Glu Ser Cys
Asp Ser Cys Glu
Asp Ser Glu Cys
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Glu Cys Asp Ser
Glu Cys Ser Asp
Glu Asp Cys Ser
Glu Asp Ser Cys
Glu Ser Cys Asp
Glu Ser Asp Cys
Met Cys Cys Pro
Met Cys Pro Cys
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Asn Cys Cys Asn
Asn Cys Asn Cys
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9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
3,4-Hexahydroxydiphenoylarabinose
Torvanol A
1,5,8-Trihydroxy-4-methoxy-9-oxo-9H-xanthen-3-yl ?-D-glucopyranoside
1,6-Bis-O-(3,4-dihydroxybenzoyl)-?-D-glucopyranose
Samarium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-
1-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentof uranose
1,1-((1,4-phenylenebis(oxy))bis(4,1-phenylene))bis(1H-pyrrole-2,5-dione)
(3-trimethylsilyl-2-propynyl)triphenylphosphonium bromide
Bispyribac sodium
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
1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose
2-Deoxy-beta-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate)
LY-487379
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].
Tjp6T3tjp4
D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D004396 - Coloring Agents
1-(2,6-Difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
2-Acetyl-1,3,7,9,11-pentahydroxy-3-(3-oxobutanoyl)cyclopenta[b]anthracene-5,10-dione
[(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
2-[4-(Benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
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.
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide
5-bromo-N-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-furohydrazide
N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide
2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide
[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
2-{[(4-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}phenyl)carbonyl]amino}benzoic acid
4-[2,5-dimethyl-3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide
[(2R,4R,5R)-3,4,6-trihydroxy-5-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] pyridine-3-carboxylate
1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
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].
Rovazolac
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
(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
(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
[(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
(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
{"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"}