Exact Mass: 268.028248

Exact Mass Matches: 268.028248

Found 84 metabolites which its exact mass value is equals to given mass value 268.028248, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Coumesterol

5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one

C15H8O5 (268.0371718)


Cumoesterol (or coumestrol), a coumestan isoflavone, has estrogenic properties (phytoestrogens are compounds structurally and functionally similar to 17-estradiol) and is an isoflavonoid phytoalexin produced by soybeans, a low molecular weight antimicrobial compound that is synthesized de novo and accumulates in plants after exposure to microorganisms (i.e.: phytoalexin induction and accumulation in soybean cotyledon tissue is observed with four species of Aspergillus: A. sojae, A. oryzae, A. niger, and A. flavus) (PMID: 10888516). Coumestrol is a naturally occurring plant coumarin that displays high affinity for the hormone-binding site of the human estrogen receptor (hER), for which it serves as a potent non-steroidal agonist. Coumestrol emits intense blue fluorescence when bound to this protein, making it ideally suited for use as a cytological stain to detect ER in fixed and intact cells. Such observations illustrate the potential for using coumestrol to investigate real-time effects of a variety of physiological stimuli on the subcellular distribution of hER in living cells (PMID: 8315272). Coumestrol is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a member of coumestans, a delta-lactone and a polyphenol. It is functionally related to a coumestan. Coumestrol is a natural product found in Campylotropis hirtella, Melilotus messanensis, and other organisms with data available. A daidzein derivative occurring naturally in forage crops which has some estrogenic activity. See also: Medicago sativa whole (part of). Isolated from Medicago subspecies, Glycine max (soybean), Pisum sativum (pea), Spinacia oleracea (spinach), Brassica oleracea (cabbage), Dolichos biflorus (papadi), Melilotus alba (white melilot), Phaseolus subspecies (inc. lima beans, pinto beans) and Vigna unguiculata (all Leguminosae). Potential nutriceutical D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

   

(-)-Dioxibrassinin

N-[(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl](methylsulfanyl)carbothioamide

C11H12N2O2S2 (268.0340172)


(-)-Dioxibrassinin is found in brassicas. (-)-Dioxibrassinin is an alkaloid from cabbage inoculated with Pseudomonas cichorii. Alkaloid from cabbage inoculated with Pseudomonas cichorii. (-)-Dioxibrassinin is found in cauliflower and brassicas.

   

Metoprine

2,4-diamino-5-(3,4-Dichlorophenyl)-6-methylpyrimidine

C11H10Cl2N4 (268.028248)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents

   

sparstolonin B

4,14-dihydroxy-8,15-dioxatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9(17),10,13-heptaen-12-one

C15H8O5 (268.0371718)


   

Taurine glutamate

5-Amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulphonic acid

C7H12N2O7S (268.0365202)


   

Ophiohayatone C

Ophiohayatone C

C15H8O5 (268.0371718)


   

Nordamnacanthal

Nordamnacanthal

C15H8O5 (268.0371718)


   

Cumestrol

3,9-Dihydroxycoumestan

C15H8O5 (268.0371718)


Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

   
   

Pachybasic acid

Pachybasic acid

C15H8O5 (268.0371718)


   
   

3-methyl-2-butenoylpyrrothine

3-methyl-2-butenoylpyrrothine

C11H12N2O2S2 (268.0340172)


   
   

methyl 5-deoxy-5-(dimethylarsinoyl)-beta-D-riboside

methyl 5-deoxy-5-(dimethylarsinoyl)-beta-D-riboside

C8H17AsO5 (268.0291892)


   

3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione

3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione

C15H8O5 (268.0371718)


   
   

2,5,6,7,8-pentahydroxy-3-methoxynaphthalene-1,4-dione

2,5,6,7,8-pentahydroxy-3-methoxynaphthalene-1,4-dione

C11H8O8 (268.0219168)


   

6,7-dehydrobaicalein

6,7-dehydrobaicalein

C15H8O5 (268.0371718)


   

Coumestrol

Coumestrol

C15H8O5 (268.0371718)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

   
   

Coumestan base + 2O

Coumestan base + 2O

C15H8O5 (268.0371718)


Annotation level-2

   

Dioxibrassinin

N-[(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)methyl](methylsulfanyl)carbothioamide

C11H12N2O2S2 (268.0340172)


   

5-BROMO-3-(PIPERIDIN-1-YLCARBONYL)PYRIDINE

5-BROMO-3-(PIPERIDIN-1-YLCARBONYL)PYRIDINE

C11H13BrN2O (268.0211188)


   

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

C9H8N4O4S (268.0266248)


   

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonitrile

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonitrile

C12H7F3N2S (268.02820180000003)


   

9-fluorenone-2,7-dicarboxylic acid

9-fluorenone-2,7-dicarboxylic acid

C15H8O5 (268.0371718)


   

2,4-Diamino-5-(3,4-dichlorobenzyl)pyrimidine

2,4-Diamino-5-(3,4-dichlorobenzyl)pyrimidine

C11H10Cl2N4 (268.028248)


   

4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

C14H8N2O2S (268.0306468)


   

2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

C11H14BBrO2 (268.0270154)


   

Phenol, 4-nitroso-, magnesium salt

Phenol, 4-nitroso-, magnesium salt

C12H8MgN2O4 (268.0334548)


   

TRICARBONYL(1,2,3,4-TETRAHYDRONAPHTHALENE)CHROMIUM

TRICARBONYL(1,2,3,4-TETRAHYDRONAPHTHALENE)CHROMIUM

C13H12CrO3 (268.0191502)


   

N-Cyclopentyl5-bromonicotinamide

N-Cyclopentyl5-bromonicotinamide

C11H13BrN2O (268.0211188)


   

(3-BROMOPHENYL)(PIPERAZIN-1-YL)METHANONE

(3-BROMOPHENYL)(PIPERAZIN-1-YL)METHANONE

C11H13BrN2O (268.0211188)


   

3-Aminotyrosine dihydrochloride hydrate

3-Aminotyrosine dihydrochloride hydrate

C9H14Cl2N2O3 (268.03814339999997)


   

2-Amino-4-[(4-ethylsulfonyl)phenyl)]-1,3-thiazole

2-Amino-4-[(4-ethylsulfonyl)phenyl)]-1,3-thiazole

C11H12N2O2S2 (268.0340172)


   

2-Amino-5-ethylsulfonyl-4-phenyl-1,3-thiazole

2-Amino-5-ethylsulfonyl-4-phenyl-1,3-thiazole

C11H12N2O2S2 (268.0340172)


   

6-(2-FURYL)-2-OXO-4-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

6-(2-FURYL)-2-OXO-4-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

C14H8N2O2S (268.0306468)


   

3-(2-Hydroxyethyl)-5[1-methyl-4(1H)-pyridylidene]rhodanine

3-(2-Hydroxyethyl)-5[1-methyl-4(1H)-pyridylidene]rhodanine

C11H12N2O2S2 (268.0340172)


   

1-METHYL-4-TOSYLIMIDAZOLE-5-THIOL

1-METHYL-4-TOSYLIMIDAZOLE-5-THIOL

C11H12N2O2S2 (268.0340172)


   

3-[3,5-Bis(trifluoromethyl)phenyl]-2-propyn-1-ol

3-[3,5-Bis(trifluoromethyl)phenyl]-2-propyn-1-ol

C11H6F6O (268.0322818)


   

(5-Bromopyridin-2-yl)(piperidin-1-yl)methanone

(5-Bromopyridin-2-yl)(piperidin-1-yl)methanone

C11H13BrN2O (268.0211188)


   

2,2,3,3,4,4,4-Heptafluorobutyl methacrylate

2,2,3,3,4,4,4-Heptafluorobutyl methacrylate

C8H7F7O2 (268.0334246)


   

4-(2-FURYL)-2-OXO-6-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

4-(2-FURYL)-2-OXO-6-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

C14H8N2O2S (268.0306468)


   

2,4-Diamino-5-(2,4-dichlorobenzyl)pyrimidine

2,4-Diamino-5-(2,4-dichlorobenzyl)pyrimidine

C11H10Cl2N4 (268.028248)


   

4-BROMO-2-(PIPERIDIN-1-YL)NICOTINALDEHYDE

4-BROMO-2-(PIPERIDIN-1-YL)NICOTINALDEHYDE

C11H13BrN2O (268.0211188)


   

(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID

(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID

C11H12N2O2S2 (268.0340172)


   

5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE

5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE

C12H7F3N2S (268.02820180000003)


   

(2-bromophenyl)(piperazin-1-yl) methanone

(2-bromophenyl)(piperazin-1-yl) methanone

C11H13BrN2O (268.0211188)


   

cystamine sulfate hydrate

cystamine sulfate hydrate

C4H16N2O5S3 (268.0221326)


   
   

5-Bromo-N-cyclopentylpicolinamide

5-Bromo-N-cyclopentylpicolinamide

C11H13BrN2O (268.0211188)


   
   

3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONYL CHLORIDE

3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONYL CHLORIDE

C11H9ClN2O4 (268.0250824)


   

1-(3-Chlorophenyl)piperazine dihydrochloride

1-(3-Chlorophenyl)piperazine dihydrochloride

C10H15Cl3N2 (268.030076)


   

1-(4-Chlorophenyl)piperazine dihydrochloride

1-(4-Chlorophenyl)piperazine dihydrochloride

C10H15Cl3N2 (268.030076)


   

(2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid

(2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid

C8H8BF3O4S (268.0188434)


   

4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID

4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID

C10H8N2O7 (268.0331498)


   

4-methylumbelliferyl phosphate, dilithium salt

4-methylumbelliferyl phosphate, dilithium salt

C10H7Li2O6P (268.03003520000004)


   

[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid

[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid

C8H8BF3O4S (268.0188434)


   

Metoprine

Metoprine

C11H10Cl2N4 (268.028248)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents

   

Cumostrol

3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI)

C15H8O5 (268.0371718)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

   

3-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide

3-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide

C11H12N2O2S2 (268.0340172)


   

(E)-2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide

(E)-2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide

C11H12N2O2S2 (268.0340172)


   

5-amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulfonic acid

5-amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulfonic acid

C7H12N2O7S (268.0365202)


   

5-chloro-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C10H9ClN4OS (268.01855739999996)


   

(4S,5S)-2-(1-Bromoethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane

(4S,5S)-2-(1-Bromoethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane

C9H17BrO4 (268.0310142)


   
   

3-Bromocytisine

3-Bromocytisine

C11H13BrN2O (268.0211188)


3-Bromocytisine (3-Br-cytisine) is a potent nACh receptors agonist, with IC50s are 0.28, 0.30 and 31.6 nM for hα4β4, hα4β2, and hα7-nACh, respectively. 3-Bromocytisine (3-Br-cytisine) shows different effects on high (HS) and low (LS) ACh sensitivity α4β2 nAChRs with EC50s are 8 and 50 nM, respectively[1][2].

   

6,11-dihydroxyfuro[3,2-b]xanthen-5-one

6,11-dihydroxyfuro[3,2-b]xanthen-5-one

C15H8O5 (268.0371718)


   

4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde

NA

C15H8O5 (268.0371718)


{"Ingredient_id": "HBIN010019","Ingredient_name": "4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7915","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-hydroxy-2-carboxyanthraquinone

NA

C15H8O5 (268.0371718)


{"Ingredient_id": "HBIN010449","Ingredient_name": "4-hydroxy-2-carboxyanthraquinone","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9890","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7-hydroxy-2h-anthra[1,2-d][1,3]dioxole-6,11-dione

7-hydroxy-2h-anthra[1,2-d][1,3]dioxole-6,11-dione

C15H8O5 (268.0371718)


   

5,7-dihydroxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one

5,7-dihydroxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one

C15H8O5 (268.0371718)


   

4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

C15H8O5 (268.0371718)


   

1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde

1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde

C15H8O5 (268.0371718)


   

3-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

3-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

C15H8O5 (268.0371718)


   

3-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

3-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

C11H12N2O2S2 (268.0340172)


   

2-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

2-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

C11H12N2O2S2 (268.0340172)


   

14-(hydroxymethyl)-12,16-dioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1(10),3,5,7,11(15),13-hexaene-2,9-dione

14-(hydroxymethyl)-12,16-dioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1(10),3,5,7,11(15),13-hexaene-2,9-dione

C15H8O5 (268.0371718)


   

n-[(2,3-dihydroxyindol-3-yl)methyl]methylsulfanylcarboimidothioic acid

n-[(2,3-dihydroxyindol-3-yl)methyl]methylsulfanylcarboimidothioic acid

C11H12N2O2S2 (268.0340172)


   

(2e)-2-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

(2e)-2-methyl-n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}but-2-enimidic acid

C11H12N2O2S2 (268.0340172)


   

(2s,3s,4r,5r)-2-[(dimethylarsoryl)methyl]-5-methoxyoxolane-3,4-diol

(2s,3s,4r,5r)-2-[(dimethylarsoryl)methyl]-5-methoxyoxolane-3,4-diol

C8H17AsO5 (268.0291892)


   

n-{[(3r)-2,3-dihydroxyindol-3-yl]methyl}methylsulfanylcarboimidothioic acid

n-{[(3r)-2,3-dihydroxyindol-3-yl]methyl}methylsulfanylcarboimidothioic acid

C11H12N2O2S2 (268.0340172)


   

2-[(dimethylarsoryl)methyl]-5-methoxyoxolane-3,4-diol

2-[(dimethylarsoryl)methyl]-5-methoxyoxolane-3,4-diol

C8H17AsO5 (268.0291892)