Exact Mass: 268.0017
Exact Mass Matches: 268.0017
Found 316 metabolites which its exact mass value is equals to given mass value 268.0017,
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
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
N-(3,4-DICHLOROPHENYL)-2-(METHYLAMINO)ACETAMIDE HYDROCHLORIDE
Methyl 2-amino-5-(4-chlorophenyl)thiazole-4-carboxylate
3-[(4-CHLOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
Methyl 2-amino-4-(4-chlorophenyl)thiazole-5-carboxylate
4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
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
4-chloro-6,7-difluoro-2-(trifluoromethyl)quinazoline
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
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
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
1-[[2-(2,4-DICHLOROPHENYL)OXIRANYL]METHYL]-1H-IMIDAZOLE
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
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
(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID
5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE
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-bromopyrazolo[1,5-a]pyridine-3-carboxylate
7-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
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
ETHYL5-CHLORO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
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
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
4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
4,5-DICHLORO-2-(4-METHYLBENZYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
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-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
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
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid
5-chloro-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
(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"}
