Exact Mass: 452.07123
Exact Mass Matches: 452.07123
Found 148 metabolites which its exact mass value is equals to given mass value 452.07123,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinchonain Ib
Acid Orange 3
C18H13N4NaO7S (452.04026280000005)
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
C18H16N2O8S2 (452.03480559999997)
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
C24H18F2N2O5 (452.11837219999995)
C87006 - Pharmacological Chaperone
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
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
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)
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
2-C-beta-D-glycopyranosyl-1,6,7-trihydroxy-3-methoxyxanthone|homomangiferin
C20H20O12 (452.09547200000003)
2-O-p-hydroxybenzoyl-6-O-galloyl-glucopyranose
C20H20O12 (452.09547200000003)
(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)
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)
[(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)
Cys Cys Asn Asn
C14H24N6O7S2 (452.11478339999996)
Cys Asn Cys Asn
C14H24N6O7S2 (452.11478339999996)
Cys Asn Asn Cys
C14H24N6O7S2 (452.11478339999996)
Asn Cys Cys Asn
C14H24N6O7S2 (452.11478339999996)
Asn Cys Asn Cys
C14H24N6O7S2 (452.11478339999996)
Asn Asn Cys Cys
C14H24N6O7S2 (452.11478339999996)
9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
Curry red
C18H16N2O8S2 (452.03480559999997)
3,4-Hexahydroxydiphenoylarabinose
Torvanol A
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-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentof uranose
C21H18Cl2O7 (452.04295379999996)
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)
1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose
C21H18Cl2O7 (452.04295379999996)
2-Deoxy-beta-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)
C21H18Cl2O7 (452.04295379999996)
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].
Tjp6T3tjp4
C18H16N2O8S2 (452.03480559999997)
D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D004396 - Coloring Agents
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-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
C23H20N2O6S (452.10420200000004)
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
C21H17FN6O3S (452.10668239999995)
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
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)
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)
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)
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)
(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)
(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"}
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
6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione
C19H20N2O5S3 (452.05343100000005)
(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
(2s,3r)-5,7-dihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
C20H20O12 (452.09547200000003)
(2r,3r)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
[3,4,6-trihydroxy-5-(4-hydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H20O12 (452.09547200000003)
12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-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
9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2e)-3-{4-hydroxy-3-methoxy-5-[(3s,4r)-6-methoxy-4-(sulfooxy)-3,4-dihydro-2h-1-benzopyran-3-yl]phenyl}prop-2-enoic acid
5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone
4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl 4,5-dihydroxyhex-2-enoate
(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
(2s,3s)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(1r,4s,5s,9s,11r,14s,15r,16s,19r)-5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone
(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)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
methyl 9-[(acetyloxy)methyl]-5,7-dihydroxy-2,2-dimethyl-6,11-dioxo-1-oxatetracene-8-carboxylate
(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
13,14-dihydroxy-3-(4-methoxyphenyl)-7-phenyl-5,10-dioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1(9),2,6,11,13,15-hexaene-4,8-dione
4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (2z,4r,5s)-4,5-dihydroxyhex-2-enoate
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1r,4s,5s,11r,14s,15r,18r,22r)-5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione
C19H20N2O5S3 (452.05343100000005)
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
(1e,4s,5r,7r,10r,12e)-17-bromo-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol
C20H31BrCl2O2 (452.08843459999997)
3-hydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one
(1r,4r,5r,9r,11r,14r,15s,19s)-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
(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
ethyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate
1,3,6-trihydroxy-7-methoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
C20H20O12 (452.09547200000003)
(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
9-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
C20H20O12 (452.09547200000003)
(4s,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
[3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H20O12 (452.09547200000003)