Exact Mass: 326.0324946
Exact Mass Matches: 326.0324946
Found 363 metabolites which its exact mass value is equals to given mass value 326.0324946,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
TRIPHENYL PHOSPHATE
C18H15O4P (326.07079200000004)
CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9628; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9720 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9683 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9737; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3638 CONFIDENCE standard compound; INTERNAL_ID 2464 CONFIDENCE standard compound; INTERNAL_ID 8249 CONFIDENCE standard compound; INTERNAL_ID 8795 CONFIDENCE standard compound; INTERNAL_ID 4175
5-Fluorodeoxyuridine monophosphate
5-Fluorodeoxyuridine monophosphate is a metabolite of floxuridine. Floxuridine (also 5-fluorodeoxyuridine) is an oncology drug that belongs to the class known as antimetabolites. The drug is most often used in the treatment of colorectal cancer. (Wikipedia)
5,6-Dihydrouridine 5-monophosphate
C9H15N2O9P (326.05151500000005)
Gliotoxin
Gliotoxin is a pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. It has a role as a mycotoxin, an immunosuppressive agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor, a proteasome inhibitor and an antifungal agent. It is an organic disulfide, a pyrazinoindole, an organic heterotetracyclic compound and a dipeptide. Gliotoxin is a natural product found in Streptomyces, Aspergillus cejpii, and other organisms with data available. Gliotoxin is a sulfur-containing antibiotic produced by several species of fungi, some of which are pathogens of humans such as Aspergillus, and also by species of Trichoderma, and Penicillium. Gliotoxin possesses immunosuppressive properties as it may suppress and cause apoptosis in certain types of cells of the immune system, including neutrophils, eosinophils, granulocytes, macrophages, and thymocytes. (L1941) A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent. A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Dihydrosterigmatocystin
Dihydrosterigmatocystin is a mycotoxin of Aspergillus versicolo
Niclosamide
Niclosamide is used for the treatment of most tapeworm infections. Helminths (worms) are multicellular organisms that infect very large numbers of humans and cause a broad range of diseases. Over 1 billion people are infected with intestinal nematodes, and many millions are infected with filarial nematodes, flukes, and tapeworms. They are an even greater problem in domestic animals. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals > P02DA - Salicylic acid derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fertaric acid
Fertaric acid is a the ester of tartaric acid and the phenolic acid ferulic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]
Atroviridin
Atroviridin is found in fruits. Atroviridin is a constituent of Garcinia atroviridis (gelugor). Constituent of Garcinia atroviridis (gelugor). Atroviridin is found in fruits.
Demethoxykanugin
Demethoxykanugin is isolated from Rhus chinensis (Chinese gall). Isolated from Rhus chinensis (Chinese gall)
O-Demethylforbexanthone
O-Demethylforbexanthone is found in fruits. O-Demethylforbexanthone is a constituent of Rheedia brasiliensis (bakupari) Constituent of Rheedia brasiliensis (bakupari). O-Demethylforbexanthone is found in herbs and spices and fruits.
Iberin-N-acetyl-cysteine
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Gliotoxin
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
5'-Fluoro-2'-deoxyuridine monophosphate
Fluorodeoxyuridine monophosphate
Tris(2-chloropropyl) phosphate
C9H18Cl3O4P (326.00082480000003)
Feruloyltartaric acid
Feruloyltartaric acid, also known as trans-fertaric acid or feruloyltartarate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Feruloyltartaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Feruloyltartaric acid can be found in common grape, grape wine, sherry, and vinegar, which makes feruloyltartaric acid a potential biomarker for the consumption of these food products.
Boeravinone A
Boeravinone A is a member of rotenones. boeravinone A is a natural product found in Boerhavia diffusa with data available.
1,11-Dihydroxy-9,10-methylenedioxy-6a,12a-didehydrorotenone
3,5-Dimethoxy-6,7-methylenedioxyflavone
5,7-Dimethoxy-3,4-methylenedioxyflavone
7,8-Dimethoxy-3,4-methylenedioxyflavone
Pyrithiobac
C13H11ClN2O4S (326.01280360000004)
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4672 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4702 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4691; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4777; ORIGINAL_PRECURSOR_SCAN_NO 4775 ORIGINAL_ACQUISITION_NO 4777; CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4775 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4684; ORIGINAL_PRECURSOR_SCAN_NO 4679 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9062 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9090; ORIGINAL_PRECURSOR_SCAN_NO 9088 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9119; ORIGINAL_PRECURSOR_SCAN_NO 9117 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9108; ORIGINAL_PRECURSOR_SCAN_NO 9106 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9136; ORIGINAL_PRECURSOR_SCAN_NO 9132
Tris(1-chloro-2-propyl) phosphate
C9H18Cl3O4P (326.00082480000003)
3,5,7-Ttrihydroxylchromone 3-O-??-D-xylopyranoside
2,2-Dimethyl-5,8,9-trihydroxy-2H,6H-pyrano[3,2-b]xanthen-6-one
3,4,3,4-bis(O,O-methylene)ellagic acid|[1,3]dioxolo[6,7][2]benzopyrano[5,4,3-cde]-1,3-dioxolo[4,5-g][2]benzopyran-5,11-dione
6-hydroxy-2,7,8-trimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinanthrone
1,3,5-trihydroxy-13,13-dimethyl-2H-pyran[7,6-b]xanthen-9-one
(2R,2S,4S)-gamma-Glutamylmarasmine|gamma-Glutamylmarasmine
C10H18N2O6S2 (326.06062479999997)
(E)-1-oxo-3,4-dihydro-1H-isochromen-7-yl 3-(3,4-dihydroxyphenyl)acrylate
2,2-Dimethyl-6,10,11-trihydroxy-2,7-dihydropyrano[3,2-c]xanthene-7-one
7,8-dimethoxy-3,4-methylenedioxy-phenanthrene-1-carboxylic acid|demethylaristofolin C
(-)-[(3SR,3aSR,8bSR)-7-bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-benzo[b]cyclopenta[d]furan-3a-yl]methyl hydroperoxide|laureperoxide
C15H19BrO3 (326.05174839999995)
(-)-3-O-galloylshikimic acid|(-)-shikimic acid 3-O-gallate|3-O-galloyl shikimic acid|3-O-galloyl-(-)-shikimic acid|3-O-Galloylshikimic acid|5-O-galloylshikimic acid|shikimic acid 5-O-gallate
rel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acid
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
2-(1-hydroxy-1-methylethyl)-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
4-O-galloyl-(-)-shikimic acid|4-O-Galloylshikimic acid
3-Acetonyl-1,8-dihydroxy-6-methoxy-anthrachinon|3-acetonyl-1,8-dihydroxy-6-methoxy-anthraquinone|Dermoquinone
5H-Phenanthro(4,5-bcd)pyran-5,9,10-trione, 1,8-dihydroxy-2-methoxy-6-methyl-
4,5-methylenedioxy-7,2-dimethoxyflavone|millettocalyxin A
niclosamide
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals > P02DA - Salicylic acid derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3320
4,5-dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
Tris(1-chloro-2-propyl)phosphate
C9H18Cl3O4P (326.00082480000003)
CONFIDENCE standard compound; INTERNAL_ID 2470 CONFIDENCE standard compound; INTERNAL_ID 8810
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA
Dihydrosterigmatocystin
A sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety.
N-(2-bromophenyl)piperidin-4-amine,dihydrochloride
METHYL 3-([[3-(TRIFLUOROMETHYL)PHENYL]THIO]METHYL)BENZOATE
C16H13F3O2S (326.05883140000003)
4-(4-acetylpiperazin-1-yl)-3-bromobenzoic acid
C13H15BrN2O3 (326.02659800000004)
ethyl 3-bromo-4-(4-methylpiperazin-1-yl)benzoate
C14H19BrN2O2 (326.06298139999996)
3-bromo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid
C14H19BrN2O2 (326.06298139999996)
3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid
C14H19BrN2O2 (326.06298139999996)
methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate
C14H19BrN2O2 (326.06298139999996)
4-Boc-7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
C14H19BrN2O2 (326.06298139999996)
Pyridinium, 1-[2-oxo-2-(2-pyridinyl)ethyl]-, iodide
(6Z,6Z)-6,6-{1,2-Ethanediylbis[imino(Z)methylylidene]}bis(2,4-c yclohexadien-1-one) - nickel (1:1)
C16H16N2NiO2 (326.05651859999995)
1-(2,4-DICHLOROPHENETHYL)HYDRAZINEHYDROCHLORIDE
C15H16Cl2N2O2 (326.05887759999996)
calcium; (E)-4-ethoxy-4-oxo-but-2-enoic acid; hydrogen(-1) anion
3-Bromo-N-cyclohexyl-5-nitrobenzamide
C13H15BrN2O3 (326.02659800000004)
2-(6-BROMOQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHANONE
C16H11BrN2O (326.00546959999997)
N-(5-CHLORO-2-METHYL-4-NITROPHENYL)-BENZENESULFONAMIDE
C13H11ClN2O4S (326.01280360000004)
Silane, [(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy](1,1-dimethylethyl)dimethyl-
ethyl 2-[5,6-dichloro-2-(cyanoamino)-4H-quinazolin-3-yl]acetate
p-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide
tert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)methylcarbamate
C13H15BrN2O3 (326.02659800000004)
6-Chloro-9-beta-D-(2,3-isopropylidene)ribofuranosylpurine
C13H15ClN4O4 (326.07817800000004)
[4-(6-acetyloxy-1-benzothiophen-2-yl)phenyl] acetate
C18H14O4S (326.06127640000005)
1-chloro-4-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene
2-(2-Anilinovinyl)-3-(3-sulfopropyl)-2-thiazolinium inner salt
4-(4-ISOBUTYLPHENYL)-5-METHYL-1,3-THIAZOL-2-AMINE HYDROBROMIDE
1-Boc-5-bromo-6-Methoxy-1H-indazole
C13H15BrN2O3 (326.02659800000004)
2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine
C14H19BrN2O2 (326.06298139999996)
3-(2-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
3-(3-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
4-CHLORO-2-[2-PHENYLVINYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
C18H15ClN2S (326.06444200000004)
4,6-DIPHENYLTHIENO[3,4-D]-1,3-DIOXOL-2-ONE 5,5-DIOXIDE
2-IODOMETHYL-CYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
3-(4-Bromophenyl)-1-Phenyl-1H-Pyrazole-4-Carbaldehyde
C16H11BrN2O (326.00546959999997)
5-Bromo-1-phenyl-2,3-bipyridin-6(1H)-one
C16H11BrN2O (326.00546959999997)
4-(3-Bromophenyl)-6-phenyl-2(1H)-pyrimidinone
C16H11BrN2O (326.00546959999997)
2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-(3-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-(6-Bromobenzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-Bromo-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-CHLORO-N-{4-[(PYRIMIDIN-2-YLAMINO)SULFONYL]PHENYL}ACETAMIDE
C12H11ClN4O3S (326.02403660000004)
2-Pentafluorophenyl-malonic acid diethyl ester
C13H11F5O4 (326.05774660000003)
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate
C12H14F3O5P (326.05309200000005)
Tris(4-hydroxyphenyl)phosphine oxide
C18H15O4P (326.07079200000004)
4-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyr idine
C13H19BrN2OSi (326.04499439999995)
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
C15H16Cl2N2O2 (326.05887759999996)
ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
2-(4-BROMOBUTYL)-5-NITRO-1H-ISOINDOLE-1,3(2H)-DIONE
Dimethyl(acetylacetonate)gold(III), (99.9\\%-Au)
C7H13AuO2 (326.05810979999995)
METHYL 4-(TRIFLUOROMETHYL)-6-(THIOPHEN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
7-(4-methylsulfanylphenyl)-5-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
N,N-Dinitroso-p-phenylenediamine-N,N-diacetic Acid
Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)
Methyl 5-broMo-2-(2-Methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Methyl 6-broMo-2-(2-Methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
ethyl 2-(aMinoMethyl)-6-broMo-5-hydroxy-1-Methyl-1H-indole-3-carboxylate
C13H15BrN2O3 (326.02659800000004)
N-(6-iodoquinolin-4-yl)diazenyl-N-methyl-methanamine
Methyl 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane-2-carboxylate
C14H15BrO4 (326.01536500000003)
4-(1-Sulfo-1-carboxylethyl) Edaravone
C13H14N2O6S (326.05725440000003)
5,7-bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-a]pyrimidine
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
C14H12F2N2O3S (326.05366660000004)
(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
C15H12Cl2O4 (326.01126120000004)
2-[[(4-Chlorophenyl)sulfonyl](2-pyridinyl)amino]acetic acid
C13H11ClN2O4S (326.01280360000004)
4-(1-Methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
4-[[(2-Methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester
C17H14N2O3S (326.07250940000006)
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
C17H14N2O3S (326.07250940000006)
(2S)-2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid
C15H12Cl2O4 (326.01126120000004)
4-(2,6-Dichlorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
C17H14N2O3S (326.07250940000006)
2-[(4-Chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline
C18H15ClN2S (326.06444200000004)
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one
C17H14N2O3S (326.07250940000006)
n-(2,6-Diflouro-benzyl)-4-sulfamoyl-benzamide
C14H12F2N2O3S (326.05366660000004)
4-(Aminosulfonyl)-N-[(2,4-difluorophenyl)methyl]-benzamide
C14H12F2N2O3S (326.05366660000004)
4-(Aminosulfonyl)-N-[(2,5-difluorophenyl)methyl]-benzamide
C14H12F2N2O3S (326.05366660000004)
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3alpha,5abeta,6beta,10aalpha)]-
7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
(7S,8S)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
N-6-mercaptohexanoylthreonine phosphate
C10H17NO7PS-3 (326.04633220000005)
2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylate
C16H10N2O6-2 (326.05388400000004)
[5-(2,4-Dioxopyrimidin-1-yl)-5-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
[[5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-fluoromethyl] dihydrogen phosphate
2-[2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone
(2S,3S)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid.
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
1-Methyl-4-[(4-methylphenyl)thio]-3-nitro-2-quinolinone
C17H14N2O3S (326.07250940000006)
3-Chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide
C17H14N2O3S (326.07250940000006)
1-(Phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
C15H13F3N2OS (326.07006440000004)
4-[2,3,5,6-Tetrafluoro-4-(1-propen-1-yl)phenoxy]benzoic acid
C16H10F4O3 (326.05660379999995)
(5E)-5-benzylidene-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
3-(4-Fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
C15H10N4O3S (326.04735900000003)
3-[[[5-(Phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
C17H14N2O3S (326.07250940000006)
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine
1,1-Difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonic acid
C12H16F2O6S (326.06356200000005)
(2R,3R)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of L-tartaric acid.
(2S,3S)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid.
(3E)-3-[[4-(Methylamino)-3-nitrophenyl]methylidene]thiochromen-4-one
C17H14N2O3S (326.07250940000006)
1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
2-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate
2-(1,3-Benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
2-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-hydroxybutanedioic acid
[1-(7-Hydroxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] hydrogen sulate
C14H14O7S (326.04602140000003)
4,5-Dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
[(1R,12R)-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yl] acetate
(2R,3R)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid.
2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
(2-methylpropoxy)[(2-{[(2-methylpropoxy)methanethioyl]sulfanyl}ethyl)sulfanyl]methanethione
3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one
C15H15ClO6 (326.05571199999997)
(3r,5as,6s,10ar)-6-hydroxy-2-methyl-3,10a-bis(methylsulfanyl)-3h,5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
(1s,2r,3r)-1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
6,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
3,5,10,13,15,20-hexaoxahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹²,¹⁶.0¹⁸,²²]docosa-1(21),2(6),7,11(22),12(16),17-hexaene-9,19-dione
15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
methyl 8-hydroxy-9-oxo-6-(2-oxopropyl)xanthene-1-carboxylate
methyl 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromene-5-carboxylate
5,10-dihydroxy-4-(hydroxymethyl)-1h-anthra[1,2-c]furan-3,6,11-trione
(1s,13s)-17-methoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one
{"Ingredient_id": "HBIN001061","Ingredient_name": "1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(C=C(C=C4O3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',4'-methylenedi oxy-6,7-dimethoxyflavone
{"Ingredient_id": "HBIN007500","Ingredient_name": "3',4'-methylenedi oxy-6,7-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-ttrihydroxylchromone 3-o-β-d-xylopyra-noside
{"Ingredient_id": "HBIN007586","Ingredient_name": "3,5,7-ttrihydroxylchromone 3-o-\u03b2-d-xylopyra-noside","Alias": "NA","Ingredient_formula": "C14H14O9","Ingredient_Smile": "C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-(3,4-dimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(2s)-2-amino-4-{[(1r)-1-carboxy-2-[(r)-(methylsulfanyl)methanesulfinyl]ethyl]-c-hydroxycarbonimidoyl}butanoic acid
C10H18N2O6S2 (326.06062479999997)
(5r)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
8-(1-bromoprop-1-en-1-yl)-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
3-bromo-12,14-dihydroxy-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
10,15-dihydroxy-2,6,8,20-tetraoxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14,16,18-heptaen-12-one
8-methoxy-6,7-dioxo-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
5,8,9-trihydroxy-2,2-dimethyl-1,11-dioxatetracen-6-one
(3r,7s)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(2r,3r,4e)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
4,10-dihydroxy-5-methoxy-1h-anthra[1,2-c]furan-3,6,11-trione
4-bromo-n-[3-(2,5-dihydroxyimidazol-4-ylidene)propyl]-1h-pyrrole-2-carboxamide
8,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(3s,7r)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
2-(2h-1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
(5r)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
6-(2-hydroxy-2-oxo-6h-1,3,2λ⁵-dioxaphosphinin-4-yl)-1,3-dimethylpteridine-2,4-dione
C11H11N4O6P (326.04161960000005)
4,15-dihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14,16,18-heptaen-2-one
6,9,12-trihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
(11r)-14,15-dimethoxy-3,5,10-trioxapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,13,15,17-hexaen-9-one
6,7,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
10-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-1h,2h-furo[3,2-a]xanthen-11-one
3,5,14-trimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
3-benzyl-6-(hydroxymethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
(1r,7s,8r,11r)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0¹,⁹.0³,⁸]pentadeca-3,5-diene-10,14-dione
3,9,11-trihydroxy-10-methyl-5,7-dioxatetraphene-6,12-dione
4-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-2-one
5,8-dihydroxy-11-methoxy-2-methyl-8h,9h-indeno[5,6-h]chromene-4,10-dione
(4e)-3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
7,9-dimethoxy-6-phenyl-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3,8-dihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid
(4r,8r)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
2,3-dihydroxy-2-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid
6,8,12-trihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
(2e,4e)-3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
5,8,10-trihydroxy-2,2-dimethyl-1,6-dioxatetracen-11-one
(2r)-10-hydroxy-2-[(2s)-2-(hydroxymethyl)oxiran-2-yl]-1h,2h-furo[3,2-a]xanthen-11-one
7,12-dihydroxy-13-methoxy-6-methyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,9,10-trione
5-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-(4-hydroxyphenyl)pyrrol-2-one
C16H10N2O6 (326.05388400000004)
2-amino-4-{[1-carboxy-2-(methylsulfanyl)methanesulfinylethyl]-c-hydroxycarbonimidoyl}butanoic acid
C10H18N2O6S2 (326.06062479999997)
7-methoxy-2-(6-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
methyl 6,10-dihydroxy-8-oxo-14-thiatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-15-carboxylate
2-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one
4-bromo-n-{3-[(4z)-2,5-dihydroxyimidazol-4-ylidene]propyl}-1h-pyrrole-2-carboxamide
1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
(3r,6r)-3-benzyl-6-(hydroxymethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
(1r,9r,10s,14s)-3-bromo-12,14-dihydroxy-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
5,10-dimethoxy-2,3-dihydro-1,4-dioxatetracene-6,11-dione
1,8-dihydroxy-3-methoxy-6-(2-oxopropyl)anthracene-9,10-dione
(1s,3r,6s)-8-[(1z)-1-bromoprop-1-en-1-yl]-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
(4e)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
5,10-dihydroxy-4-methoxy-1h-anthra[1,2-c]furan-3,6,11-trione
5-[(4-hydroxy-6-oxopyran-2-yl)methyl]-2-(2-oxopropyl)chromen-4-one
5-(2-hydroxypropan-2-yl)-16-methoxy-4,14-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),3(7),5,10,12,15-hexaene-2,8-dione
11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
7,12-dihydroxy-13-methoxy-5-methyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,9,10-trione
3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
(1r,3s,6s)-8-[(1e)-1-bromoprop-1-en-1-yl]-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
7,9,12-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(3r,4s,5r)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
methyl 8-hydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
(3ar,4s,6ar)-3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one
C15H15ClO6 (326.05571199999997)