Exact Mass: 221.05654019999997
Exact Mass Matches: 221.05654019999997
Found 500 metabolites which its exact mass value is equals to given mass value 221.05654019999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chloridazon
C10H8ClN3O (221.03558679999998)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 88 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3286; ORIGINAL_PRECURSOR_SCAN_NO 3284 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3279 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3275 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6942; ORIGINAL_PRECURSOR_SCAN_NO 6938 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6890; ORIGINAL_PRECURSOR_SCAN_NO 6885 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3352; ORIGINAL_PRECURSOR_SCAN_NO 3350 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3278 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6927 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6909; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3276 CONFIDENCE standard compound; INTERNAL_ID 3300 CONFIDENCE standard compound; INTERNAL_ID 4018 CONFIDENCE standard compound; INTERNAL_ID 2317 CONFIDENCE standard compound; INTERNAL_ID 8402
Quinmerac
CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6893; ORIGINAL_PRECURSOR_SCAN_NO 6889 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6909; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6942; ORIGINAL_PRECURSOR_SCAN_NO 6938 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6876; ORIGINAL_PRECURSOR_SCAN_NO 6873 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6911; ORIGINAL_PRECURSOR_SCAN_NO 6909 INTERNAL_ID 240; 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 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3720 CONFIDENCE standard compound; INTERNAL_ID 8469 CONFIDENCE standard compound; INTERNAL_ID 2552
L-histidinol-phosphate
C6H12N3O4P (221.05654019999997)
L-histidinol-phosphate is a member of the class of compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. L-histidinol-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). L-histidinol-phosphate can be found in a number of food items such as sorghum, devilfish, spearmint, and deerberry, which makes L-histidinol-phosphate a potential biomarker for the consumption of these food products. L-histidinol-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).
methibenzuron
C10H11N3OS (221.06227959999998)
CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8642 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8645; ORIGINAL_PRECURSOR_SCAN_NO 8643 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8589; ORIGINAL_PRECURSOR_SCAN_NO 8584 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8593; ORIGINAL_PRECURSOR_SCAN_NO 8591 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8647; ORIGINAL_PRECURSOR_SCAN_NO 8645 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8557; ORIGINAL_PRECURSOR_SCAN_NO 8555
Methyl dioxindole-3-acetate
Methyl dioxindole-3-acetate is found in cereals and cereal products. Methyl dioxindole-3-acetate is isolated from rice bran. Isolated from rice bran. Methyl dioxindole-3-acetate is found in cereals and cereal products.
Methyl 5-hydroxyoxindole-3-acetate
Methyl 5-hydroxyoxindole-3-acetate is found in cereals and cereal products. Methyl 5-hydroxyoxindole-3-acetate is isolated from rice bran. Isolated from rice bran. Methyl 5-hydroxyoxindole-3-acetate is found in cereals and cereal products.
S-(3-Oxo-3-carboxy-n-propyl)cysteine
A cystathionine metabolite found in the urine of cystathioninuria patients; has a priming effect on 02- generation in human neutrophils (Biochemical and Biophysical Research Communications S-(3-Oxo-3-carboxy-n-propyl)cysteine, abbreviated as OCPC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
N-lactoyl-Methionine
N-lactoyl-Methionine is lactoyl derivative of methionine. N-lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid. (PMID: 25964343)
S-(2-Oxo-2-carboxyethyl)homocysteine
S-(2-Oxo-2-carboxyethyl)homocysteine, abbreviated as OCEHC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioic S-acid
C7H15N3OS2 (221.06564999999998)
(2R)-2-Acetamido-5-hydroxy-2-(sulfanylmethyl)pentanoic acid
Methylpolysilicone
It is used as a food additive .
Methyl 2-(2-hydroxyphenyl)-2-oxazoline-4-carboxylate
2-hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Ethyl 2-cyano-3-[(3-methyl-5-isoxazolyl)amino]acrylate
1-ISOTHIOCYANATO-6-(METHYLSULFONYL)-HEXANE
Acquisition and generation of the data is financially supported in part by CREST/JST.
β,3,4-Trihydroxybenzenepropanoic acid
C9H10NaO5+ (221.04259100000002)
(Z)-Dimethyl 1-methyl-4-oxoimidazolidin-2-ylidenephosphoramidate
C6H12N3O4P (221.05654019999997)
excavatine B|methyl 1,2,3,4-tetrahydro-4-hydroxy-2-oxoquinoline-4-carboxylate
O-ethyl N-(E)-4-(methylsulfinyl)but-3-enylcarbamothioate
(E)-N-<2-(methylthio)ethyl>cinnamamide|(E)-Sinharine|cinnamic acid 3-(methylthio)-ethylamide|sinharine
C12H15NOS (221.08742999999998)
4-(2H-isoquinolin-3-ylidene)cyclohexa-2,5-dien-1-one
5-(4-methylphenyl)-1,2-oxazole-4-carbonyl chloride
4-(6-chloropyrimidin-4-yl)oxyaniline
C10H8ClN3O (221.03558679999998)
3-(2-Chloroethyl)-7-methyl-2(1H)-quinolinone
C12H12ClNO (221.06073719999998)
methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4-METHYL-2-(2-PYRAZINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C10H8FN3O2 (221.06005199999998)
N,N-DIMETHYL-4-(TRIFLUOROMETHYLTHIO)ANILINE
C9H10F3NS (221.04860159999998)
5-p-Tolyloxymethyl-[1,3,4]thiadiazol-2-ylamine
C10H11N3OS (221.06227959999998)
6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID
3-(5-METHYL-2-OXO-BENZOOXAZOL-3-YL)-PROPIONIC ACID
Acetamide, N-(6-amino-4-methyl-2-benzothiazolyl)- (9CI)
C10H11N3OS (221.06227959999998)
2-Thiophenecarboxamide,N-(3-fluorophenyl)-
C11H8FNOS (221.03106099999997)
N-(4-Fluorophenyl)-2-thiophenecarboxamide
C11H8FNOS (221.03106099999997)
3-(2,3-DIFLUORO-PHENOXY)-PHENYLAMINE
C12H9F2NO (221.06521679999997)
ethyl 5-fluoro-1-methylindole-2-carboxylate
C12H12FNO2 (221.08520240000001)
4-AMINO-5-CHLORO-2-PHENYL-2H-PYRIDAZIN-3-ONE
C10H8ClN3O (221.03558679999998)
5-O-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE
C10H11N3OS (221.06227959999998)
1-(methylsulfonyl)piperidine-3-carbohydrazide(SALTDATA: FREE)
METHYL 3-METHYL-5-(5-METHYLISOXAZOL-3-YL)-1H-PYRAZOLE-4-CARBOXYLATE
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbonyl chloride
C10H8ClN3O (221.03558679999998)
3-((4-METHOXYBENZYL)THIO)-1H-1,2,4-TRIAZOLE
C10H11N3OS (221.06227959999998)
Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetate
1-(4-fluoro-benzoyl)-piperidin-4-one
C12H12FNO2 (221.08520240000001)
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
Ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate
C12H12FNO2 (221.08520240000001)
Ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
C12H12FNO2 (221.08520240000001)
2-(2-chloroquinazolin-4-yl)acetaMide
C10H8ClN3O (221.03558679999998)
CYCLOPROPYL-PIPERIDIN-2-YLMETHYL-AMINE
C11H12ClN3 (221.07197019999998)
4-methylquinoline-2-carboximidamide,hydrochloride
C11H12ClN3 (221.07197019999998)
7-methylquinoline-2-carboximidamide,hydrochloride
C11H12ClN3 (221.07197019999998)
(5-fluoro-1H-indol-3-yl)acetic acid ethyl ester
C12H12FNO2 (221.08520240000001)
2-(2-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
Ethyl 5-methyl-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylate
5(4H)-OXAZOLONE, 4-[(4-CHLOROPHENYL)METHYLENE]-2-METHYL-
METHYL 6-METHYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-8-CARBOXYLATE
3,4-dihydroxy-1-(phenylmethyl) 2,5-pyrrolidinedione
N-(2-AMINOETHYL)BENZO[D]THIAZOLE-2-CARBOXAMIDE
C10H11N3OS (221.06227959999998)
Urea, 1-methyl-3-(6-methyl-2-benzothiazolyl)- (8CI)
C10H11N3OS (221.06227959999998)
Urea, 1-methyl-1-(6-methyl-2-benzothiazolyl)- (7CI)
C10H11N3OS (221.06227959999998)
2-((1R,5S)-3-OXA-9-AZABICYCLO[3.3.1]NONAN-7-YL)ACETIC ACID HYDROCHLORIDE
C9H16ClNO3 (221.08186560000001)
4-(prop-2-enylamino)oxane-4-carboxylic acid
C9H16ClNO3 (221.08186560000001)
2,3-dimethyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium
(R)-(+)-4-(HYDROXYMETHYL)-2-OXAZOLIDINONE BENZOATE
(R)-3-AMINO-4-(2-THIENYL)BUTANOIC ACID HYDROCHLORIDE
(s)-3-amino-4-(2-thienyl)butanoic acid hydrochloride
3-(2-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
2-AMINO-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID AMIDE
C12H12ClNO (221.06073719999998)
4-(2-IMIDAZOLYL)ANILINE HYDROCHLORIDE
C12H9F2NO (221.06521679999997)
Urea, N-methyl-N-(4-methyl-2-benzothiazolyl)- (9CI)
C10H11N3OS (221.06227959999998)
methyl 2-(5-fluoro-2-methylindol-1-yl)acetate
C12H12FNO2 (221.08520240000001)
methyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
2-(4-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
AIDA
UPF-523 (AIDA), a rigid (carboxyphenyl) glycine derivative, is a relatively potent and selective antagonist of group I metabotropic glutamate receptors (mGlu1a) with an IC50 of 214 μM. But UPF-523 has no effect on group II (mGlu2), group III (mGlu4) receptors or ionotropic glutamate receptors. UPF-523 has the potential for the research of the acute arthritis[1][2].
1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
C10H8FN3O2 (221.06005199999998)
2-CHLORO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
C10H8ClN3O (221.03558679999998)
Benzothiazole, 2-(1-methylbutoxy)- (9CI)
C12H15NOS (221.08742999999998)
(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
4-(2-Methoxyphenyl)-2(3H)-thiazolone hydrazone
C10H11N3OS (221.06227959999998)
4-(4-Methoxyphenyl)-2(3H)-thiazolone hydrazone
C10H11N3OS (221.06227959999998)
(4-Chloroquinazolin-2-yl)-N,N-dimethylmethanamine
C11H12ClN3 (221.07197019999998)
Boronic acid, B-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-
(4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
(2-CHLORO-6-FLUOROPHENYL)-P-TOLYL-AMINE
C12H12ClNO (221.06073719999998)
N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide
Pyridinium,3-hydroxy-1-(phenylmethyl)-, chloride (1:1)
C12H12ClNO (221.06073719999998)
Urea,N-2-benzothiazolyl-N,N-dimethyl-
C10H11N3OS (221.06227959999998)
methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
C11H8FNO3 (221.04881899999998)
(S)-3-(Boc-amino)-1-chloro-2-butanone
C9H16ClNO3 (221.08186560000001)
[6-(2,4-Difluorophenyl)-2-pyridyl]Methanol
C12H9F2NO (221.06521679999997)
2-[(Cyclopropylcarbonyl)amino]-5-hydroxybenzoic acid
6-(chloromethyl)-2-(2-pyridyl)pyrimidin-4-ol
C10H8ClN3O (221.03558679999998)
3-chloro-1-aminoadamantane hydrochloride
C10H17Cl2N (221.07379820000003)
1H-Benzimidazole-2-carboxylic acid, 5-nitro-, Methyl ester
6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE
C11H12ClN3 (221.07197019999998)
2,4-OXAZOLIDINEDIONE, 5-[(4-METHOXYPHENYL)METHYL]-
4,5-DIMETHYL-2-(1H-PYRROL-1-YL)THIOPHENE-3-CARBOXYLIC ACID
Ethanone,2-amino-1-(2-naphthalenyl)-, hydrochloride (1:1)
C12H12ClNO (221.06073719999998)
1-(3-chloro-4-methylphenyl)-3-methyl-1H-pyrazol-5-amine
C11H12ClN3 (221.07197019999998)
4-CHLORO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDINE
C11H12ClN3 (221.07197019999998)
3-(3,5-DIFLUORO-PHENOXY)-PHENYLAMINE
C12H9F2NO (221.06521679999997)
(R)-6-CHLORO-2,3,4,5-TETRAHYDRO-1-(4-HYDROXYPHENYL)-1H-3-BENZAZEPINE-7,8-DIOL
5-ACETYL-4-AMINO-6-METHYL-2-(METHYLTHIO)PYRIDINE-3-CARBONITRILE
C10H11N3OS (221.06227959999998)
(6E,10E,14E,18E)-2,3-EPOXY-2,6,10,15,19,23-EPOXY-2,6,10,15,19,23-HEXAMETHYL-6,10,14,18,22-TETRACOSAPENTAENE
Methyl 5-(4-fluorophenyl)oxazole-4-carboxylate
C11H8FNO3 (221.04881899999998)
1-CYANO-3-(4-METHOXYPHENYL)-2-METHYLISOTHIOUREA
C10H11N3OS (221.06227959999998)
Acetamide, N-(2-amino-6-methyl-5-benzothiazolyl)- (9CI)
C10H11N3OS (221.06227959999998)
5-(4-METHOXY-BENZYL)-[1,3,4]THIADIAZOL-2-YLAMINE
C10H11N3OS (221.06227959999998)
(4-(5-Amino-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
8-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[4,5]IMIDAZO[1,2-D][1,4]DIAZEPINE
C11H12ClN3 (221.07197019999998)
5-CHLORO-2-(PIPERAZIN-1-YL)BENZONITRILE
C11H12ClN3 (221.07197019999998)
4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
1H-INDENE-2-CARBOXYLIC ACID, 2,3-DIHYDRO-4-NITRO-, METHYL ESTER
ethyl 5-amino-3-methylthiophene-2-carboxylate,hydrochloride
3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
C10H11N3OS (221.06227959999998)
5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
C11H8FNO3 (221.04881899999998)
5-(2-ETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
C10H11N3OS (221.06227959999998)
4-ALLYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
C10H11N3OS (221.06227959999998)
5-AMINO-6-METHYL-1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-ONE
C10H11N3OS (221.06227959999998)
3-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
Methyl 5-(2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
sodium [bis(2-hydroxyethyl)amino]methanesulphonate
C5H12NNaO5S (221.03338619999997)
4-(5-Fluoro-1H-indol-3-yl)butanoic acid
C12H12FNO2 (221.08520240000001)
4-CHLORO-5-METHOXY-2-(PYRIDIN-4-YL)PYRIMIDINE
C10H8ClN3O (221.03558679999998)
2-(3-chloro-4-methoxyphenyl)ethanamine,hydrochloride
3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE
C11H12ClN3 (221.07197019999998)
3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
(E)-3-PHENYL-1-(4-[(E)-(3-PHENYL-ACRYLOYL)]-PHENYL)-PROPENONE
5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C10H8FN3O2 (221.06005199999998)
1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
2-hydroxy-5-(2-methylprop-2-enoylamino)benzoic acid
(Z)-4-(2-ethoxyvinyl)-2-(Methylthio)pyrimidine-5-carbonitrile
C10H11N3OS (221.06227959999998)
1,2-Ethanediamine,N1-(7-chloro-4-quinolinyl)-
C11H12ClN3 (221.07197019999998)
5-CHLORO-6-METHYL-2-(2-PYRIDYL)PYRIMIDIN-4-OL
C10H8ClN3O (221.03558679999998)
4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
C12H12ClNO (221.06073719999998)
1,3-Dimethyl-4-methoxypyrazolo-[3,4-b]pyridine-5-carboxylic acid
Methyl 3-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
methyl 6-nitro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-(2-CHLORO-BENZYL)-4-METHYL-2H-PYRAZOL-3-YLAMINE
C11H12ClN3 (221.07197019999998)
6-fluoro-n-methyl-3-nitroquinolin-4-amine
C10H8FN3O2 (221.06005199999998)
(s)-3-amino-4-(3-thienyl)butanoic acid hydrochloride
2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoic acid(SALTDATA: FREE)
3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOXYLIC ACID HYDRAZIDE
C10H11N3OS (221.06227959999998)
METHYL 1,3-DIMETHYL-5-(ISOXAZOL-5-YL)PYRAZOLE-4-CARBOXYLATE
Bis(2-methoxyethyl)aminosulphur trifluoride
C6H14F3NO2S (221.06973000000002)
Thieno[3,2-b]pyridine-3-carbonitrile, 4,5-dihydro-7-hydroxy-2-(methylamino)-5-oxo- (9CI)
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
(8-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)(PHENYL)METHANONE
1-(4-Hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
1-(3-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
4-Oxo-1,9a-dihydro-4H-pyrimido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
4-Amino-3-nitrobenzenesulfonic acid
C6H19NSi2.O2Si (221.07235540000002)
4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxylic acid
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
[2-(4,5-Dichloro-3-methyl-1H-pyrazol-1-yl)butyl]amine
Urea, N-methyl-N-(7-methyl-2-benzothiazolyl)- (9CI)
C10H11N3OS (221.06227959999998)
Urea, N-methyl-N-(5-methyl-2-benzothiazolyl)- (9CI)
C10H11N3OS (221.06227959999998)
Pyrimidine, 4-(2-fluoro-4-pyridinyl)-2-(methylthio)-
C10H8FN3S (221.04229399999997)
2-Chloro-4-methoxy-6-(4-pyridinyl)pyrimidine
C10H8ClN3O (221.03558679999998)
2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1)
1-(2-Chlorobenzyl)-5-methyl-1H-pyrazol-3-amine
C11H12ClN3 (221.07197019999998)
1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
C10H8ClN3O (221.03558679999998)
1-(2-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
C10H8ClN3O (221.03558679999998)
6-MORPHOLINO-3-PYRIDINYL ISOTHIOCYANATE
C10H11N3OS (221.06227959999998)
2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
(3R)-3-METHYL-4-(TERT-BUTY)DIPHENYLSILYLOXY)BUTANAL
Morpholine, 4-(2-phenyl-1-thioxoethyl)- (9CI)
C12H15NOS (221.08742999999998)
3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-methylisoxazole-4-carboxylic acid
(5-METHOXY-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID
(2-(2,2,2-Trifluoroethoxy)pyridin-3-yl)boronic acid
4-Chloro-5-Methoxy-2-(2-pyridyl)pyrimidine
C10H8ClN3O (221.03558679999998)
Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
2-methyl-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-3-amine
3-(6-CHLORO-3-PYRIDAZINYLOXY)PHENYLAMINE
C10H8ClN3O (221.03558679999998)
[5-(2,4-DIFLUOROPHENYL)PYRIDIN-3-YL]METHANOL
C12H9F2NO (221.06521679999997)
(r)-3-amino-4-(3-thienyl)butanoic acid hydrochloride
1,2,4-Thiadiazole,3-methyl-5-(4-nitrophenyl)-(9CI)
1-(5-Amino-2-phenyl-[1,3,4]thiadiazol-3-yl)-ethanone
C10H11N3OS (221.06227959999998)
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
C11H8FNO3 (221.04881899999998)
2-CHLORO-1-(2,6-DIMETHYL-1H-INDOL-3-YL)-ETHANONE
C12H12ClNO (221.06073719999998)
disodium 2-hydroxyethyliminodi(acetate)
C6H9NNa2O5 (221.02761040000001)
METHYL 8-FLUORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE
C11H8FNO3 (221.04881899999998)
2-AMINO-3-(METHYLTHIOMETHYL)BENZOTRIFLUORIDE
C9H10F3NS (221.04860159999998)
2-((tert-Butoxycarbonyl)amino)-3-mercaptopropanoic acid
1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Methyl 3-amino-5-methoxy-1-benzofuran-2-carboxylate
(S)-2-[[(S)-2-Hydroxypropionyl]amino]-4-(methylthio)butyric acid
Carbamic acid, diethyldithio-, trimethylsilyl ester
C8H19NS2Si (221.07281339999997)
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
7,8-Dihydroxy-4-oxido-7,8-dihydroquinoline-2-carboxylate
1-Amino-3-[hydroxy(methyl)phosphoryl]cyclohexane-1-carboxylic acid
(2R)-2-Acetamido-5-hydroxy-2-(sulfanylmethyl)pentanoic acid
4-Chloro-2-(imidazolin-2-yl)isoindoline
C11H12ClN3 (221.07197019999998)
N-(3-chlorophenyl)-1H-imidazole-5-carboxamide
C10H8ClN3O (221.03558679999998)
3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
C10H11N3OS (221.06227959999998)
1-(4,5-Dihydrothiazol-2-yl)-3-phenylurea
C10H11N3OS (221.06227959999998)
4-Carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate
5-Acetoxyimino-3,7-dimethylcyclohepta-3,6-diene-1,2-dione
L-histidinol phosphate
C6H12N3O4P (221.05654019999997)
The O-phospho derivative of L-histidinol.
3,4-Dihydro-7-hydroxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylate
Eglumegad (hydrochloride)
C8H12ClNO4 (221.04548219999998)
Eglumegad (LY354740) hydrochloride is a highly potent and selective group II (mGlu2/3) receptor agonist with IC50s of 5 and 24 nM on transfected human mGlu2 and mGlu3 receptors, respectively. Eglumegad hydrochloride protects neurons from NMDA toxicity. Eglumegad hydrochloride has anxiolytic- and antipsychotic-like effects[1].
1-(1-isothiocyanato-2-methylpropan-2-yl)-4-methoxybenzene
C12H15NOS (221.08742999999998)
3,4-dimethylthioquinoline
{"Ingredient_id": "HBIN007458","Ingredient_name": "3,4-dimethylthioquinoline","Alias": "NA","Ingredient_formula": "C11H11NS2","Ingredient_Smile": "CSC1=C(C2=CC=CC=C2N=C1)SC","Ingredient_weight": "221.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "613533","DrugBank_id": "NA"}
5,6-dimethoxy-n-methylphthalimide
{"Ingredient_id": "HBIN011144","Ingredient_name": "5,6-dimethoxy-n-methylphthalimide","Alias": "NA","Ingredient_formula": "C11H11NO4","Ingredient_Smile": "CN1C(=O)C2=C(C1=O)C(=C(C=C2)OC)OC","Ingredient_weight": "221.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6267","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3451419","DrugBank_id": "NA"}
methyl 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
5,8-dihydroxy-4-oxo-1h-quinoline-2-carboxylic acid
2-oxo-3,4,5,6-tetrahydro-1,6-benzoxazocine-8-carboxylic acid
4-hydroxy-2-[(4-hydroxyphenyl)methyl]-3h-azete-2-carboxylic acid
(2s)-2-hydroxy-3-(5-hydroxy-1h-indol-3-yl)propanoic acid
3-hydroxy-7-methoxy-2-methyl-1,4-benzoxazine-4-carbaldehyde
3-[(3-methoxy-3-oxoprop-1-en-2-yl)oxy]benzenecarboximidic acid
n-(6,7-dihydroxy-2-oxochromen-3-yl)carboximidic acid
{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}acetic acid
methyl (4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
6-methoxy-2-(methylsulfanyl)-1h-indole-3-carbaldehyde
(2e)-n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enimidic acid
C12H15NOS (221.08742999999998)
n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enimidic acid
C12H15NOS (221.08742999999998)
(2e)-3-(methylsulfanyl)-n-(2-phenylethyl)prop-2-enimidic acid
C12H15NOS (221.08742999999998)