Exact Mass: 353.0624136
Exact Mass Matches: 353.0624136
Found 205 metabolites which its exact mass value is equals to given mass value 353.0624136,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pentoxazone
C17H17ClFNO4 (353.08300840000004)
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one
2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone can be found in a number of food items such as horned melon, buffalo currant, papaya, and red algae, which makes 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone a potential biomarker for the consumption of these food products. 2,5-diamino-6-(5-phosphoribosylamino)-4-pyrimidineone exists in E.coli (prokaryote) and yeast (eukaryote).
Rugosinone
C19H15NO6 (353.08993300000003)
2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole
C16H14F3N3OS (353.08096300000005)
Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is found in fruits. Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is isolated from Sambucus nigra (elderberry Isolated from Sambucus nigra (elderberry). Sambucus nigra Degraded cyanogenic glycosides (2-Epimer) is found in fruits.
4-[(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
4-[(4-O-Acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate is a glucosinolate that has been isolated from the seeds and leaves of Moringa oleifera (horseradish tree) and the seeds of Moringa peregrina. It is also found in herbs and spices. Constituent of seeds of Moringa oleifera (horseradish tree) and Moringa peregrina. 4-Hydroxybenzyl isothiocyanate 4-acetylrhamnoside is found in herbs and spices.
6'-O-Acetylholocalin
6-O-Acetylholocalin is found in fruits. 6-O-Acetylholocalin is a constituent of Sambucus nigra (elderberry) Constituent of Sambucus nigra (elderberry). 6-O-Acetylholocalin is found in fruits.
Acenocoumarol
C19H15NO6 (353.08993300000003)
Acenocoumarol is a coumarin derivative used as an anticoagulant. Coumarin derivatives inhibit the reduction of vitamin K by vitamin K reductase. This prevents carboxylation of vitamin K-dependent clotting factors, II, VII, XI and X, and interferes with coagulation. Hematocrit, hemoglobin, international normalized ratio and liver panel should be monitored. Patients on acenocoumarol are prohibited from giving blood. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
5'-Hydroxytenoxicam
5-Hydroxytenoxicam is only found in individuals that have used or taken Tenoxicam. 5-Hydroxytenoxicam is a metabolite of Tenoxicam. 5-hydroxytenoxicam belongs to the family of Thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.
4'-Hydroxy-5-carboxy-lumiracoxib
C16H13ClFNO5 (353.04662500000006)
4-Hydroxy-5-carboxy-lumiracoxib is a metabolite of lumiracoxib. Lumiracoxib is a COX-2 selective inhibitor non-steroidal anti-inflammatory drug, manufactured by Novartis and still sold in few countries, including Mexico, Ecuador and the Dominican Republic, under the trade name Prexige (sometimes misquoted as Prestige by the media). Lumiracoxib has several distinctive features. (Wikipedia)
lansoprazole sulfide
C16H14F3N3OS (353.08096300000005)
lansoprazole sulfide is a metabolite of lansoprazole. Lansoprazole is a proton-pump inhibitor (PPI) which inhibits the stomachs production of gastric acids. It is manufactured by a number of companies worldwide under several brand names. In the United States it was first approved by the Food and Drug Administration (FDA) in 1995. Lansoprazole has been available as a generic drug since Prevacid patent protection expired on November 10, 2009. Since 2009 Lansoprazole has been available over the counter (OTC) in the U.S. (Wikipedia)
Naringenin 5-sulfate
C15H13O8S (353.03311180000003)
2-(O-Tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate
7-(3-Isothiocyanatopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Aceclofenac
C16H13Cl2NO4 (353.02215980000005)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Clopidogrel thiol
C16H16ClNO2S2 (353.03109459999996)
Daltroban
C16H16ClNO4S (353.04885260000003)
Englitazone
C20H19NO3S (353.1085584000001)
Flosulide
C16H13F2NO4S (353.05333220000006)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
4-(4'-Chlorobenzyloxy)benzyl nicotinate
Syk Inhibitor
C18H15N3O3S (353.0834080000001)
Diethyl 3-methyl-5-[(trifluoroacetyl)amino]-2,4-thiophenedicarboxylate
Aceclofenac
C16H13Cl2NO4 (353.02215980000005)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 1161
Pyrazolam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
N-(2-Cyanoethyl)-N-(2-thienylmethyl)-N-[3-(trifluoromethyl)phenyl]urea
C16H14F3N3OS (353.08096300000005)
PharmaGSID_48505
CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4766; ORIGINAL_PRECURSOR_SCAN_NO 4764 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4776; ORIGINAL_PRECURSOR_SCAN_NO 4773 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4805; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4769; ORIGINAL_PRECURSOR_SCAN_NO 4767 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4827; ORIGINAL_PRECURSOR_SCAN_NO 4826 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9149; ORIGINAL_PRECURSOR_SCAN_NO 9147 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9178; ORIGINAL_PRECURSOR_SCAN_NO 9177 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9199; ORIGINAL_PRECURSOR_SCAN_NO 9197 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9243; ORIGINAL_PRECURSOR_SCAN_NO 9240 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9247 CONFIDENCE standard compound; INTERNAL_ID 484; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9249
[4-(3-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
7,8,10-Trimethoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
C19H15NO6 (353.08993300000003)
2,3:9,10-Bis(methylenedioxy)-5,6-dihydro-8H-dibenzo[a,g]quinolizine-1,8-diol
C19H15NO6 (353.08993300000003)
[4-(2-O-acetyl-alpha-L-rhamnosyloxy)benzyl]isothiocyanate
(+/-)-linaresine|(??)-Linaresine|8,9-dimethoxy-6,7-methylenedioxy-12H<1>benzoxepino<2,3,4-ij>isoquinolin-12-ol|linaresinen
C19H15NO6 (353.08993300000003)
(6-O-beta-D-glucopyranosyl-1H-indol-3-yl) carboxylic acid methyl ester
adlumidine|bicucculine|D-bicucculine
C19H15NO6 (353.08993300000003)
(-)-Eudistomin K|Eudistomin K|eudistomin K trifluoroacetate
C14H16BrN3OS (353.01973860000004)
dichotomide V
C18H15N3O5 (353.10116600000003)
A beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata.
1-(2-oxindole-3-acetyl)-beta-D-glucose
An O-acyl carbohydrate obtained by formal condensation of the carboxy group of 2-oxindole-3-acetic acid with the anomeric hydroxy group of beta-D-glucose.
(S)-Acenocoumarol
C19H15NO6 (353.08993300000003)
The (R)-enantiomer of acenocoumarol. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Famotidine sulfoxide
C8H15N7O3S3 (353.03984800000006)
Cyclopenta[c]pyrrole, benzoic acid deriv
C15H19N3O5S (353.10453640000003)
4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside
Sambucus nigra degraded cyanogenic glycosides
2-[1-(4-methoxyphenyl)-4-nitro-3-thiophen-2-ylbutylidene]propanedinitrile
C18H15N3O3S (353.0834080000001)
3-[[2-[4-(2H-tetrazol-5-ylmethyl)phenoxy]acetyl]amino]benzoic acid
C17H15N5O4 (353.11239900000004)
1-(6-Chloro-9H-purin-9-yl)-1-deoxy-N-methyl-2,3-O-isopropylidene-beta-D-ribofuranuronamide
4-[[4-(dimethylamino)phenyl]carbamoylamino]benzenesulfonyl chloride
2-(2-CHLORO-ACETYLAMINO)-4-(4-METHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
C16H16ClNO4S (353.04885260000003)
Thiazolidine, 3-[(4-chlorophenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
C16H16ClNO2S2 (353.03109459999996)
(S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINEDIHYDROBROMIDE
(1Z)-4-chloro-3-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenecarboximidate
4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
Buthiazide
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
4-[3-(4-CARBAMOYL-PHENYL)UREIDO]BENZENESULFONYLCHLORIDE
C14H12ClN3O4S (353.02370220000006)
4-((2-AMINOPHENYL)THIO)-N,N-DIMETHYL-3-NITROBENZENESULFONAMIDE
Diethyl thiophosphoril (Z)-(2-aminothiazol-4-yl)-(methoxyimino)acetate
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
4-(Phenylamino)-3-sulfoazobenzene
C18H15N3O3S (353.0834080000001)
2-Butenoic acid,4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-, (2Z)-
2-Methyl-2-propanyl 5-bromo-3-[(dimethylamino)methyl]-1H-pyrrolo[ 2,3-b]pyridine-1-carboxylate
C15H20BrN3O2 (353.07388000000003)
Quinfamide
C16H13Cl2NO4 (353.02215980000005)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4-[(3,3-Dimethylbutanoyl)amino]-3,5-difluoro-N-(1,3-thiazol-2-yl) benzamide
C16H17F2N3O2S (353.10094860000004)
ethyl 2-piperazine-4-(2,5-difluoro)phenyl thiazole-5-carboxylate
C16H17F2N3O2S (353.10094860000004)
5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
C14H9F6NO3 (353.04865960000006)
1,3-dimethyl-6-[2-(p-toluenesulfonyloxy)ethylamino)-2,4(1H,3H)-pyrimidinedione
C15H19N3O5S (353.10453640000003)
bis(triphenylphosphine)iminium nitrite
[(C6H5)3P=]2N(ONO) (353.06087299999996)
4-[6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid
Daltroban
C16H16ClNO4S (353.04885260000003)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C26170 - Protective Agent > C2079 - Cardioprotective Agent
N7-(3-CHLOROPHENYL)-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
C17H12ClN5S (353.05019020000003)
4-CHLORO-2-TRIFLUOROACETYL-6-(TERT-BUTYLDIMETHYLSILYLOXY)ANILINE
2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluoro-phe noxy]acetic acid
C16H13ClFNO5 (353.04662500000006)
3-(4-ACETOXY-PHENYL)-2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID
C19H15NO6 (353.08993300000003)
3,6-Diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Dabuzalgron hydrochloride
C12H17Cl2N3O3S (353.0367632000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(S)-2-amino-4-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-methylbutan-1-ol
P053 is a potent, non-competitive and selective ceramide synthase 1 (CerS1) inhibitor wirh an IC50 of 0.5?μM. P053 acts as an endogenous inhibitor of mitochondrial fatty acid oxidation in muscle. Whole-body adiposity regulator[1].
1-methylsulfanyl-2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]benzimidazole;2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
C16H14F3N3OS (353.08096300000005)
Glionitrin A
A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring. It is an antibiotic isolated from the microbial strains Sphingomonas and Aspergillus fumigatus, and exhibits cytotoxic activity against four human cancer cell lines: HCT-116, A549, AGS, and DU145. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
3-(2-Pyrimidinylthio)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
7,9-dimethyl-2-(phenylmethylthio)-1H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
2,4-Thiazolidinedione, 5-((3,4-dihydro-2-(phenylmethyl)-2H-1-benzopyran-6-yl)methyl)-
C20H19NO3S (353.1085584000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-, 1,1-dioxide
5-(Hydroxymethyl)cytidine 5-(Dihydrogen Phosphate)
2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate(2-)
3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate
3-(2,4-Dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(methyldisulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
anthraquinone-2-carboxyate-N-acetylcysteamine
C19H15NO4S (353.0721750000001)
N-Acetyl-S-(2,6,7-trimethyl-3,5-dioxo-3H,5H-pyrazolo[1,2-a]pyrazol-1-ylmethyl)-L-cysteine
C15H19N3O5S (353.10453640000003)
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-sulfanylacetate
C16H16ClNO2S2 (353.03109459999996)
trans-5-O-caffeoyl-D-quinate
A hydroxy monocarboxylic acid anion that is the conjugate base of trans-5-O-caffeoyl-D-quinic acid; major species at pH 7.3.
1-(2,4-Difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester
1-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-prop-2-enylthiourea
C15H13Cl2N3OS (353.01563480000004)
Methyl 2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea
Glu-Cys-Cys
A tripeptide composed of one L-glutamic acid and two L-cysteine units joined by peptide linkages.
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
C14H16BrN3OS (353.01973860000004)
2-[[(3,5-Dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
C16H13Cl2NO4 (353.02215980000005)
N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinamine
3-amino-N-(2-fluorophenyl)-6-(2-furanyl)-2-thieno[2,3-b]pyridinecarboxamide
C18H12FN3O2S (353.06342240000004)
3-[(3,5-Dichloro-4-ethoxybenzoyl)amino]benzoic acid
C16H13Cl2NO4 (353.02215980000005)
2-[(4,6-Dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
1-(3-Chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
1-[1-(3-Chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
1-(4-Chloro-2,5-dimethoxyphenyl)sulfonylbenzotriazole
C14H12ClN3O4S (353.02370220000006)
1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
5-(2-chlorophenyl)-2-(2-pyridinylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
4-Methoxybenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester
C18H15N3O5 (353.10116600000003)
ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
C20H19NO3S (353.1085584000001)
(2S)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]-2-phenylacetamide
3-[(S)-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N-sulfamoylpropanimidamide
C8H15N7O3S3 (353.03984800000006)
(E)-4-naphthalen-1-yl-2-oxo-3-quinolin-2-ylbut-3-enoic acid
3,4,5-trihydroxy-6-(4-hydroxy-1H-indole-3-carbonyl)oxyoxane-2-carboxylic acid
4H,5H-3-Methoxycarbonyl-4-(1-methoxycarbonylpyrrol-2-YL)methylene-1-phenylpyrazol-5-one
C18H15N3O5 (353.10116600000003)
2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine
B 823-08
C16H14F3N3OS (353.08096300000005)
Sambucus nigra Degraded cyanogenic glycosides (2-Epimer)
Chlorogenate
A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
2,5-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5-phosphate
5-O-Phosphono-beta-D-ribofuranose in which the hydroxy group at position 1 is substituted by the 6-amino group of 2,5,6-triaminopyrimidin-4(3H)-one.
2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate(2-)
The dianion resulting from the removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5-phosphate.
UBP310
C14H15N3O6S (353.06815300000005)
UBP310 is a selective GluR5 antagonist, with a Kd of 130 nM[1].
15-bromo-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.0²,⁸.0¹²,¹⁷]octadeca-1(11),12,14,16-tetraen-3-amine
C14H16BrN3OS (353.01973860000004)
(2s,3r,4r,5r,6s)-4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate
(10s)-10-[(5r)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8-trien-12-one
C19H15NO6 (353.08993300000003)
6-acetylholocalin
{"Ingredient_id": "HBIN012170","Ingredient_name": "6-acetylholocalin","Alias": "NA","Ingredient_formula": "C16H19NO8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (2r)-2-[(1r,2r)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate
3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate
12,14,16-trimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,9,11,13(18),14,16-octaen-9-ol
C19H15NO6 (353.08993300000003)
methyl 3-({1-acetyl-8-hydroxy-9h-pyrido[3,4-b]indol-3-yl}formamido)prop-2-enoate
C18H15N3O5 (353.10116600000003)
(14r)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol
C19H15NO6 (353.08993300000003)
(1s,11s)-11-(hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.0¹,⁹.0³,⁸]pentadeca-3,5,7-triene-10,14-dione
(2s,3s)-14-bromo-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.0²,⁸.0¹²,¹⁷]octadeca-1(11),12,14,16-tetraen-3-amine
C14H16BrN3OS (353.01973860000004)
(4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid
14-bromo-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.0²,⁸.0¹²,¹⁷]octadeca-1(11),12,14,16-tetraen-3-amine
C14H16BrN3OS (353.01973860000004)
(2s,3r,4r,5s,6s)-3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl acetate
methyl (2r)-2-[(1r,2s)-1-[(s)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate
10-{2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8-trien-12-one
C19H15NO6 (353.08993300000003)
4-hydroxy-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,9,14(18),15-heptaene-12,13-dione
C19H15NO6 (353.08993300000003)
5-{6-hydroxy-2h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-4-(methylsulfanyl)imidazol-1-ium
[C18H17N4O2S]+ (353.10721620000004)
4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl acetate
(3s,4r,6r,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,13,15,17(21)-hexaene-4,6,13-triol
C18H15N3O3S (353.0834080000001)
(3r,4r,5r,6r,10s)-4,6-dihydroxy-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaen-13-one
C18H15N3O3S (353.0834080000001)
5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2(10),3,8,15,20,22-heptaene-3,14-diol
C19H15NO6 (353.08993300000003)
(2s,3s)-15-bromo-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.0²,⁸.0¹²,¹⁷]octadeca-1(11),12,14,16-tetraen-3-amine
C14H16BrN3OS (353.01973860000004)