Exact Mass: 268.0017138
Exact Mass Matches: 268.0017138
Found 316 metabolites which its exact mass value is equals to given mass value 268.0017138,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dichlorophen
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5088; ORIGINAL_PRECURSOR_SCAN_NO 5083 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5049; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5109; ORIGINAL_PRECURSOR_SCAN_NO 5106 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5084; ORIGINAL_PRECURSOR_SCAN_NO 5079 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5069; ORIGINAL_PRECURSOR_SCAN_NO 5064 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5046; ORIGINAL_PRECURSOR_SCAN_NO 5041 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3648 CONFIDENCE standard compound; INTERNAL_ID 2375
Coumesterol
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.
phenazine-1,6-dicarboxylate
A member of the class of phenazines carrying carboxy substituents at positions 1 and 6. A natural product found in Streptomyces species. CONFIDENCE standard compound; INTERNAL_ID 187
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes minuta (Mexican marigold). Isolated from Tagetes minuta (Mexican marigold). 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
(-)-Dioxibrassinin
(-)-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
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
Cumestrol
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.
2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
4-Methoxy-5-bromo-2,2-bi[1H-pyrrole]-5-carbaldehyde
methyl 5-deoxy-5-(dimethylarsinoyl)-beta-D-riboside
3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione
2,5,6,7,8-pentahydroxy-3-methoxynaphthalene-1,4-dione
Coumestrol
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.
Dichlorophen
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8652
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
C8H9ClO4S2 (267.96307840000003)
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
ETHYL 6-BROMOH-PYRROLO[1,2-F]PYRIMIDINE-3-CARBOXYLATE
2,4-Imidazolidinedione,5-(3-bromophenyl)-5-methyl-
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonitrile
C12H7F3N2S (268.02820180000003)
methyl 3-(bromomethyl)-2-benzofurancarboxylate
C11H9BrO3 (267.97350240000003)
N-(3,4-DICHLOROPHENYL)-2-(METHYLAMINO)ACETAMIDE HYDROCHLORIDE
C9H11Cl3N2O (267.99369260000003)
Methyl 2-amino-5-(4-chlorophenyl)thiazole-4-carboxylate
methyl 6-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
3-[(4-CHLOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
6-Bromo-8-methoxy-3-formyl-2H-chromene
C11H9BrO3 (267.97350240000003)
Methyl 2-amino-4-(4-chlorophenyl)thiazole-5-carboxylate
4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
ethyl 6-bromobenzofuran-3-carboxylate
C11H9BrO3 (267.97350240000003)
2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
(4-BROMO-1-FLUORONAPHTHALEN-2-YL)BORONIC ACID
C10H7BBrFO2 (267.97064639999996)
2-Diazo-1-naphthol-4-sulfonyl chloride
C10H5ClN2O3S (267.97094100000004)
TRICARBONYL(1,2,3,4-TETRAHYDRONAPHTHALENE)CHROMIUM
Methyl 2-amino-4-(2-chlorophenyl)thiazole-5-carboxylate
Methyl 2-amino-4-(3-chlorophenyl)thiazole-5-carboxylate
Sodium phosphate dibasic heptahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
2,3,6,7-naphthalenetetracarboxylic acid dianhydride
Bis(2-chloroethyl) 2-chloroethylphosphonate
C6H12Cl3O3P (267.95896220000003)
l-glyceric acid calcium salt dihydrate
C6H12CaO9 (268.01072120000003)
3-Aminotyrosine dihydrochloride hydrate
C9H14Cl2N2O3 (268.03814339999997)
4-chloro-6,7-difluoro-2-(trifluoromethyl)quinazoline
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
(E)-METHYL 4-(4-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
2-bromo-1-(5-chloro-3-methylbenzo[b]thiophen-2-yl)ethan-1-one
phenyl N-(5-chloro-4-methyl-1,3-thiazol-2-yl)carbamate
6-(2-FURYL)-2-OXO-4-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
3-(2-Hydroxyethyl)-5[1-methyl-4(1H)-pyridylidene]rhodanine
ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate
1-BROMO-IMIDAZO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
8-CHLORO-2-CHLOROMETHYL-6-TRIFLUOROMETHYL-IMIDAZO[1,2-A]PYRIDINE
7-BROMO-4-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
1-(bromomethyl)-3-methoxy-5-(trifluoromethyl)benzene
ETHYL5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
2-Bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester
2-(bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene
4-Chloro-methyl-dioxo benzenebutanoic acid ethyl ester
Ethyl 5-bromobenzofuran-2-carboxylate
C11H9BrO3 (267.97350240000003)
1-[[2-(2,4-DICHLOROPHENYL)OXIRANYL]METHYL]-1H-IMIDAZOLE
4-(Bromomethyl)-7-methoxy-2H-chromen-2-one
C11H9BrO3 (267.97350240000003)
6-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester
5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylicacid ethylester
Ethyl 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride
Ethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1-CHLORO-2,4-BIS-METHANESULFONYL-BENZENE
C8H9ClO4S2 (267.96307840000003)
ethyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
4-(2-FURYL)-2-OXO-6-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
1H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-1-(TRIMETHYLSILYL)-
5-BROMO-3-((TRIMETHYLSILYL)ETHYNYL)PYRIDIN-2-AMINE
3-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
(E)-METHYL 4-(3-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID
5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE
C12H7F3N2S (268.02820180000003)
7-Bromo-2-benzofurancarboxylic acid ethyl ester
C11H9BrO3 (267.97350240000003)
Methyl 8-Bromo-6-Methylimidazo[1,2-a]pyridin-2-carboxylate
4-Chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrrolo[2,3 -b]pyridine
ETHYL 5-BROMOBENZOFURAN-3-CARBOXYLATE
C11H9BrO3 (267.97350240000003)
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
7-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-methyl-5-methylsulfonylbenzenesulfonyl chloride
C8H9ClO4S2 (267.96307840000003)
nifurtoinol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XE - Nitrofuran derivatives C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
1,3-Benzenedicarboxylicacid, 5-sulfo-, sodium salt (1:?)
ETHYL5-CHLORO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
ETHYL5-CHLORO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
3-amino-N-tert-butyl-5-chlorothiophene-2-sulfonamide
methyl 2-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
ethyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE
7-(CARBOXYMETHOXY)-3-CHLORO-4-METHYLCOUMARIN
C12H9ClO5 (268.01384939999997)
Ethyl 6-bromo-1H-pyrrolo[1,2-a]pyrazine-3-carboxylate
3-CHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)PROPANAMIDE
Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
5-(Chlorosulfonyl)-2-Diazonio-1-Naphthalenolate
C10H5ClN2O3S (267.97094100000004)
4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
4,5-DICHLORO-2-(4-METHYLBENZYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
5-(2-bromoacetyl)-4-methylisobenzofuran-1(3H)-one
C11H9BrO3 (267.97350240000003)
2-Carboxymethoxy-5-methylbenzenesulfonic Acid Sodium Salt
2-(2,4-DICHLOROBENZOYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONYL CHLORIDE
(2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid
4-Chloro-2-(pyridin-2-yl)-6-(pyridin-3-yl)-pyrimidine
7-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID
4-methylumbelliferyl phosphate, dilithium salt
C10H7Li2O6P (268.03003520000004)
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
Methyl 7-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
Metoprine
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
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
(E)-2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
5-amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulfonic acid
3-Bromo-7-hydroxy-4,8-dimethylcoumarin
C11H9BrO3 (267.97350240000003)
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid
C8H7Cl2FN2O3 (267.98177439999995)
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
(5aS)-5,5a-Dihydrophenazine-1,6-dicarboxylate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
3-Bromocytisine
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].
VU0364770 (hydrochloride)
VU0364770 hydrochloride is a selective and potent positive allosteric modulator (PAM) of mGlu4. VU0346770 hydrochloride exhibits EC50s of 290 nM and 1.1 μM at rat mGlu4 and human mGlu4 receptor, respectively. VU0364770 hydrochloride exhibits antagonist activity at mGlu5 with a potency of 17.9 μM and PAM activity at mGlu6 with a potency of 6.8 μM. VU0364770 hydrochloride also possesses activity at MAO with Ki values of 8.5 and 0.72 μM for human MAO-A and human MAO-B, respectively[1].
9-chloro-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde
{"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
{"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"}