Exact Mass: 403.1029
Exact Mass Matches: 403.1029
Found 266 metabolites which its exact mass value is equals to given mass value 403.1029,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azoxystrobin
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8788 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8782; ORIGINAL_PRECURSOR_SCAN_NO 8780 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8831; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8824; ORIGINAL_PRECURSOR_SCAN_NO 8823 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8802; ORIGINAL_PRECURSOR_SCAN_NO 8800 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8821 EAWAG_UCHEM_ID 89; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 89 CONFIDENCE standard compound; INTERNAL_ID 4022 CONFIDENCE standard compound; INTERNAL_ID 8405 CONFIDENCE standard compound; INTERNAL_ID 3245
Ochratoxin A
Ochratoxin A is found in barley. Mycotoxin. Ochratoxin A is produced by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Ochratoxin A is found in stored grain products in UK (1997).Ochratoxin A, a toxin produced by Aspergillus ochraceus and Penicillium verrucosum, is one of the most abundant food-contaminating mycotoxins in the world. Human exposure occurs mainly through consumption of improperly stored food products, particularly contaminated grain and pork products, as well as coffee, wine grapes and dried grapes. The toxin has been found in the tissues and organs of animals, including human blood and breast milk. Ochratoxin A toxicity has large species- and sex-specific differences Mycotoxin. Production by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Found in stored grain products in UK (1997) D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators
Perphenazine
Perphenazine is only found in individuals that have used or taken this drug. It is an antipsychotic phenothiazine derivative with actions and uses similar to those of chlorpromazine. [PubChem]Binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone and vomiting centre. Perphenazine also binds the alpha andrenergic receptor. This receptors action is mediated by association with G proteins that activate a phosphatidylinositol-calcium second messenger system. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Perphenazine is an orally active dopamine receptor and histamine-1 receptor antagonist, with Ki values of 0.56 nM (D2), 0.43 nM (D3), 6 nM (5-HT2A), respectively. Perphenazine also binds to Alpha-1A adrenergic receptor. Perphenazine inhibits cancer cell proliferation, and induces apoptosis. Perphenazine can be used in the research of mental disease, cancer, inflammation[1][3][5].
Propinol adenylate
Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17]. [HMDB] Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17].
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate
A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an alpha-D-glucosaminyl residue attached at the 6-position.
4-Methylpentyl glucosinolate
4-Methylpentyl glucosinolate is found in brassicas. 4-Methylpentyl glucosinolate is present in radish (Raphanus sativus). Present in radish (Raphanus sativus). 4-Methylpentyl glucosinolate is found in brassicas and radish.
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Constituent of wheat and sweet corn (Zea mays). 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products and fats and oils. 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products. It is a constituent of wheat and sweet corn (Zea mays).
Hexyl glucosinolate
N-hexyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. N-hexyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-hexyl glucosinolate can be found in radish, which makes N-hexyl glucosinolate a potential biomarker for the consumption of this food product. Hexyl glucosinolate is found in brassicas. Hexyl glucosinolate is present in radish (Raphanus sativus) and in kohlrabi aroma.
3-Methylpentyl glucosinolate
Constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish). 3-Methylpentyl glucosinolate is found in many foods, some of which are brassicas, wasabi, radish, and root vegetables. 3-Methylpentyl glucosinolate is found in brassicas. 3-Methylpentyl glucosinolate is a constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish)
3'-(1-Butylphosphoryl)adenosine
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine
Alpidem
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Cetefloxacin
Hydroxyethylflurazepam
(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
Pelargonidin 3-arabinoside
Pelargonidin 3-arabinoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-arabinoside can be found in a number of food items such as gooseberry, strawberry, black elderberry, and blackcurrant, which makes pelargonidin 3-arabinoside a potential biomarker for the consumption of these food products.
Gluconapoleiferin
Gluconapoleiferin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Gluconapoleiferin is soluble (in water) and an extremely strong acidic compound (based on its pKa). Gluconapoleiferin can be found in a number of food items such as swede, broccoli, chinese cabbage, and turnip, which makes gluconapoleiferin a potential biomarker for the consumption of these food products.
5-[(Alanylhomoserinyl-beta-aspartyl)oxy]-1,2-dihydro-4-hydroxy-3H-pyrazol-3-one
N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine
Ochratoxin A
A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 5966 CONFIDENCE Reference Standard (Level 1)
(2Z)-2-methylbut-2-enoic acid rel-(7R,9S)-7,8,9,10-tetrahydro-5-hydroxy-7-(1-hydroxy-1-methylethyl)-4-methyl-10-methyleneoxepino[2,3-g]benzothiazol-9-yl ester|(8beta,10alpha)-8-(angeloyloxy)-5,10-epoxythiazolo[5,4-a]bisabola-1,3,5,7(14)-tetraene-4,11-diol
3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole
cladoniamide C
An organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
2-(5-hydroxy-1,6-dioxo-7-phenyl-1H,6H-benzo[de]isoquinolin-2-yl)-3-methyl-pentanoic acid|N-(1-Carboxy-2-methylbutyl)-lachnanthopyridon
perphenazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Perphenazine is an orally active dopamine receptor and histamine-1 receptor antagonist, with Ki values of 0.56 nM (D2), 0.43 nM (D3), 6 nM (5-HT2A), respectively. Perphenazine also binds to Alpha-1A adrenergic receptor. Perphenazine inhibits cancer cell proliferation, and induces apoptosis. Perphenazine can be used in the research of mental disease, cancer, inflammation[1][3][5].
Gluconapoleiferin
A hydroxy-alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 4-hydroxy-6-[(sulfooxy)imino]hex-1-en-6-yl group at the anomeric sulfur.
4-Methylpentyl glucosinolate
Annotation level-3
Ala Cys Asn Pro
Ala Cys Pro Asn
Ala Asn Cys Pro
Ala Asn Pro Cys
Ala Pro Cys Asn
Ala Pro Asn Cys
Cys Ala Asn Pro
Cys Ala Pro Asn
Cys Gly Pro Gln
Cys Gly Gln Pro
Cys Asn Ala Pro
Cys Asn Pro Ala
Cys Pro Ala Asn
Cys Pro Gly Gln
Cys Pro Asn Ala
Cys Pro Gln Gly
Cys Gln Gly Pro
Cys Gln Pro Gly
Gly Cys Pro Gln
Gly Cys Gln Pro
Gly Pro Cys Gln
Gly Pro Gln Cys
Gly Gln Cys Pro
Gly Gln Pro Cys
Asn Ala Cys Pro
Asn Ala Pro Cys
Asn Cys Ala Pro
Asn Cys Pro Ala
Asn Pro Ala Cys
Asn Pro Cys Ala
Pro Ala Cys Asn
Pro Ala Asn Cys
Pro Cys Ala Asn
Pro Cys Gly Gln
Pro Cys Asn Ala
Pro Cys Gln Gly
Pro Gly Cys Gln
Pro Gly Gln Cys
Pro Asn Ala Cys
Pro Asn Cys Ala
Pro Gln Cys Gly
Pro Gln Gly Cys
Gln Cys Gly Pro
Gln Cys Pro Gly
Gln Gly Cys Pro
Gln Gly Pro Cys
Gln Pro Cys Gly
Gln Pro Gly Cys
3-Methylpentyl glucosinolate
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Hexyl glucosinolate
4-(4-Hydroxyphenyl)-3-methyl-1-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one
Fmoc-(R)-3-Amino-3-(2-hydroxy-phenyl)-propionic acid
2-Benzofurancarboxamide,3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(2-thienylmethyl)-(9CI)
Methyl (4-{[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy}-2-methyl phenoxy)acetate
3-(2-aminoethyl)-1H-indole-5,7-diol,2-amino-3-methyl-4H-imidazol-5-one,sulfuric acid
(6-BENZHYDRYLOXYCARBONYLAMINO-PURIN-9-YL)-ACETIC ACID
2-(5,6-dihydroxy-1H-indol-3-yl)ethylazanium,(3-methyl-5-oxo-4H-imidazol-2-yl)azanium,sulfate
4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid benzyl ester
S-(α-Fluorobenzyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine
fmoc-(r)-3-amino-3-(4-hydroxy-phenyl)-propionic acid
(S)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(2-HYDROXYPHENYL)PROPANOIC ACID
fmoc-(s)-3-amino-3-(4-hydroxy-phenyl)-propionic acid
fmoc-(r)-3-amino-3-(3-hydroxy-phenyl)-propionic acid
MRS 1220
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists MRS1220, a highly potent and selective human A3 adenosine receptor (hA3AR) antagonist with a Ki of 0.59 nM, has therapeutic potential for the research of diseases of the central nervous system[1]. MRS1220 reduces glioblastoma tumor size and blood vessel formation in vivo[2].
Ampicillin Trihydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
3-hydroxy-4-[4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,5-dien-1-one
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio--D-galactopyranoside
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide,hydrochloride
2,2,2-trichloroethyl 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-ylcarbamate
ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE
fmoc-(s)-3-amino-3-(3-hydroxy-phenyl)-propionic acid
[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
N-[3-[(3R)-5-Amino-3-(difluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methyl-2-pyridinecarboxamide
1-(3-ACETYLPHENYL)-3-(1-(3,4-DICHLOROBENZYL)-1H-1,2,4-TRIAZOL-3-YL)UREA
methyl (1Z)-N-[[diethoxyphosphinothioyl(propan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
l-arginine 7-amido-4-methylcoumarin dihydrochloride
(2S,4R)-Methyl 1-benzoyl-4-(tosylo×y)pyrrolidine-2-carbo×ylate
3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE
beta-D-xylopyranoside, 4-nitrophenyl 4-O-beta-D-xylopyranosyl-
(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists
2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-methylphenyl)acetamide
2-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
3-[4-Ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
6-(2-Furanyl)-4-[4-(methanesulfonamido)phenyl]-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
R-2-{[4-Methoxy-(1,1-biphenyl)-4-YL]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxidoisothiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4h-Chromen-4-One
2-[(1r)-2-Carboxy-1-(Naphthalen-1-Ylmethyl)ethyl]-1,3-Dioxo-2,3-Dihydro-1h-Isoindole-5-Carboxylic Acid
alpidem
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
5-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-yl dihydrogen phosphate
(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfo-D-galactose
D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine
[(3R,4R,5S,6R)-2-[[(3aS,4R,5S,6S,7R,7aR)-5,6,7-trihydroxy-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
(3aS,4R,5S,6S,7R,7aR)-4-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-5,6,7-triol
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
2-[(chloroacetyl)(4-fluorophenyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine
4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
6-Bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2-propan-2-ylphenyl)acetamide
1-S-[3-hydroxy-N-(sulfonatooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide
2-[[(3-Ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-methyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(3-nitrophenyl)acrylamide
N-[[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide
N-(2-bromophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
[4-Methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
4a-dehydroxycrinamabine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
3-Nitro-4-[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]benzenesulfonamide
methyl 2-[[2-(2-hydroxybenzoyl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
N-(3-chlorophenyl)-4-(9H-fluoren-9-yl)-1-piperazinecarboxamide
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
1-(4-Phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
(3aS,4R,5S,6S,7R,7aR)-4-[(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)oxy]-5,6,7-trihydroxyhexahydro-1,3,2-benzodioxaphosphol-2-olate 2-oxide
4,5-Dihydrooxazol-5-one, 4-[4-benzyloxy-2-fluoro-5-methoxybenzylidene]-
methyl 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(1-methylimidazol-4-yl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
methyl 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-methylimidazol-4-yl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
8-Methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate
(3R,5R,6R,14aR,14bR)-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-5,6-dimethyl-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
1-Thio-beta-D-glucopyranose 1-(3-hydroxy-N-(sulfooxy)-5-hexenimidate)
propanoyl-AMP
A purine ribonucleoside 5-monophosphate consisting of adenosine 5-monophosphate where one of the hydroxy groups of the phosphate has been condensed with propionic acid.
hapten OTAf
A synthetic phenylalanine derivative consisting of a 1:1 diatereoisomeric mixture of ochratoxin A and its isochromenyl C-3 epimer.
secoxyloganin(1-)
A dicarboxylic acid monoester(1-) that is the conjugate base of secoxyloganin, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion
Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.
jaconine N-oxide
A pyrrolizine alkaloid that is jaconine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
GlyRS-IN-1
GlyRS-IN-1 is a glycyl-tRNA synthase (GlyRS) inhibitor extracted from patent WO 2017066459 A1. GlyRS-IN-1 can also inhibit the growth of bacteria[1].
methyl 4'-chloro-1-methyl-2h-8',13'-diazaspiro[indole-3,10'-tetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadecane]-1'(9'),2',4',6',11',14'-hexaene-12'-carboxylate
11,15-dihydroxy-23-methoxy-13-methyl-3,13,16-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(23),2(10),4,6,8,17,19,21-octaene-12,14-dione
[(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxysulfonic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
2-hydroxypent-4-enylglucosinate
{"Ingredient_id": "HBIN005820","Ingredient_name": "2-hydroxypent-4-enylglucosinate","Alias": "NA","Ingredient_formula": "C12H21NO10S2","Ingredient_Smile": "C=CCC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10597","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
