Exact Mass: 359.048
Exact Mass Matches: 359.048
Found 170 metabolites which its exact mass value is equals to given mass value 359.048,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinigrin
Sinigrin is found in brassicas. Sinigrin is isolated from seeds of black mustard (Brassica nigra) and cabbage, as K salt. Sinigrin is present in many crucifers, major glucosinolate in Brussels sprouts (Brassica oleraceae). Sinigrin is isolated from seeds of black mustard (Brassica nigra) and cabbage, as a K salt. It is found in many crucifers, major glucosinolate in Brussels sprouts (Brassica oleraceae). Acquisition and generation of the data is financially supported in part by CREST/JST.
Florasulam
CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7356; ORIGINAL_PRECURSOR_SCAN_NO 7353 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7334; ORIGINAL_PRECURSOR_SCAN_NO 7332 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3504 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7314; ORIGINAL_PRECURSOR_SCAN_NO 7312 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7299; ORIGINAL_PRECURSOR_SCAN_NO 7295 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3579; ORIGINAL_PRECURSOR_SCAN_NO 3576 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3499; ORIGINAL_PRECURSOR_SCAN_NO 3497 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7330; ORIGINAL_PRECURSOR_SCAN_NO 7326 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7351; ORIGINAL_PRECURSOR_SCAN_NO 7349 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3513; ORIGINAL_PRECURSOR_SCAN_NO 3511 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3505 CONFIDENCE standard compound; INTERNAL_ID 386; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3510; ORIGINAL_PRECURSOR_SCAN_NO 3508 INTERNAL_ID 386; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7351; ORIGINAL_PRECURSOR_SCAN_NO 7349
Triglochinin
Isotriglochinin is found in green vegetables. Isotriglochinin is a constituent of the famine food Alocasia macrorrhiza (wild taro). Constituent of the famine food Alocasia macrorrhiza (wild taro). Triglochinin is found in green vegetables.
Flindokalner
Same as: D04192 C26170 - Protective Agent > C1509 - Neuroprotective Agent
Boniva
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Gravacridonechlorine
Gravacridonechlorine is found in herbs and spices. Gravacridonechlorine is an alkaloid from Ruta graveolens (rue
Romucosine B
Romucosine B is found in alcoholic beverages. Romucosine B is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). Romucosine B is found in alcoholic beverages and fruits.
Isogravacridonechlorine
Isogravacridonechlorine is found in herbs and spices. Isogravacridonechlorine is an alkaloid from Ruta graveolens (rue
Tiazuril
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Coccidiostat for poultr
N-Desmethyl-O-hydroxy rosiglitazone
N-Desmethyl-O-hydroxy rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
N-Desmethyl-p-hydroxyrosiglitazone
N-Desmethyl-p-hydroxyrosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
beta-D-Glucopyranose, 1-[N-(sulfooxy)-3-butenimidate], monopotassium salt
(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine
[(2S)-1-(4-Amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid
3-(3-Chloro-4-hydroxyphenyl)imino-4-(4-nitrophenyl)pyrrolidine-2,5-dione
3-(3-Chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione
2-amino-4,6-dinitrotoluene glucoside
2-amino-4,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-amino-4,6-dinitrotoluene glucoside can be found in a number of food items such as abalone, common verbena, durian, and burbot, which makes 2-amino-4,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.
4-amino-2,6-dinitrotoluene glucoside
4-amino-2,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-amino-2,6-dinitrotoluene glucoside can be found in a number of food items such as yellow zucchini, garden onion (variety), jerusalem artichoke, and mung bean, which makes 4-amino-2,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.
(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine
2-[(4-Bromo-2-pyrrolyl)carbonylamino]-6-guanidinohexanoic acid
2-Hydroxy-5-(1-sulfo-[2]naphthylamino)-benzoesaeure|2-hydroxy-5-(1-sulfo-[2]naphthylamino)-benzoic acid
Demethyleneberberine
Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3]. Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3].
Stylopine hydrochloride
(±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2]. (±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2].
Sinigrin
An alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 4-[(sulfooxy)imino]but-1-en-4-yl group attached to the anomeric sulfur.
S1P Lyase Fluorogenic Substrate
Isogravacridonchlorine
Gravacridonechlorine
Tiazuril
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Romucosine B
2-Methyl-2-propanyl (5-bromo-2-chlorobenzyl)cyclopropylcarbamate
N,N,N,N-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate
(5-bromo-2-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
METHYL A-HYDROXY-A-METHYL-1-(PHENYLSULFONYL)INDOLE-2-ACETATE
PA-824
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
4-(2,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
4-((8-HYDROXY-6-SULFONAPHTHALEN-2-YL)AMINO)BENZOIC ACID
6-amino-4-(2-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
p-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acid, compound with methylamine (1:1)
4-(8-Hydroxy-6-sulfonaphthalen-2-ylamino)benzoic acid
PD153035
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
tert-Butyl 3-iodo-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamate
Uldazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(4-Nitrophenyl)[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]methanone
2-BROMO-1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-2-(QUINOXALIN-6-YL)ETHANONE
3-Bromo-8-(phenylsulfonyl)-1-oxa-8-azaspiro[4.5]decane
Phenol, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, 1-(dihydrogen phosphate), sodium salt
SGX-523
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
6-amino-4-(4-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
5-BROMO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINEHYDROCHLORIDE
4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
3-(4-CHLORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-Cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3 -oxopropanenitrile
5,6-Dichloro-1,3-diethyl-2-(2-phenylimino ethylidene) benzimidazoline
3-iodo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid
3-iodo-4-[(3-methylpiperidin-1-yl)methyl]benzoic acid
3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
(3R)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-6-(trifluoromethyl)indolin-2-one
2-[(4-chlorophenyl)sulfanyl]-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
5-Benzyl-2-(3-carboxy-acryloylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester
N-(6-fluoro-1,3-benzothiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
1-(Thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile
2-(Hydroxymethyl)-6-(4-methyl-3,5-dinitroanilino)oxane-3,4,5-triol
1,3,6,8-tetrahydroxy-3-[(2S)-1,4-dihydroxybutan-2-yl]anthracene-5,10-dione
beta-D-Glucopyranose, 1-[N-(sulfooxy)-3-butenimidate], monopotassium salt
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]butanamide
N-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
2-[[Oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl ester
(E)-4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
2-(4-Bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone
N-(5-chloro-2-methylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
(S)-versiconol(1-)
A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-versiconol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
4-methoxy-N-{[2-(phenoxyacetyl)hydrazino]carbothioyl}benzamide
5-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)-2-furancarboxamide
[4-[(3-Bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
2-[[[5-(Dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]hydrazo]-2-oxoacetamide
N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide
9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine
N-[(2-chloro-6-luorophenyl)methyl]-3,4-dimethoxybenzenesulonamide
2-[(2S,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-indol-1-yloxan-4-yl] dihydrogen phosphate
4-[(2-Chloro-4,4,4-trifluoro-3-oxobutylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxybut-3-enimidothioate
VU0422288
VU0422288 (ML396) is a positive allosteric modulator of group III mGluRs. VU0422288 inhibits mGluRs with EC50s of 125 nM, 146 nM, and 108 nM for mGluR4, mGluR7, and mGluR8, respectively in calcium mobilization assays. VU0422288 reverses deficits in contextual fear memory, social recognition, and apneas in Rett syndrome (RTT) model mice[1][2].
