Exact Mass: 342.0583
Exact Mass Matches: 342.0583
Found 445 metabolites which its exact mass value is equals to given mass value 342.0583,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Boscalid
CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4418; ORIGINAL_PRECURSOR_SCAN_NO 4415 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9095; ORIGINAL_PRECURSOR_SCAN_NO 9091 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4418; ORIGINAL_PRECURSOR_SCAN_NO 4414 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4407 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9060; ORIGINAL_PRECURSOR_SCAN_NO 9056 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9052; ORIGINAL_PRECURSOR_SCAN_NO 9049 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4402; ORIGINAL_PRECURSOR_SCAN_NO 4400 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4384 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9078; ORIGINAL_PRECURSOR_SCAN_NO 9077 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 4060 CONFIDENCE standard compound; INTERNAL_ID 2326 CONFIDENCE standard compound; INTERNAL_ID 8436
Thiophanate-methyl
CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7987; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7998; ORIGINAL_PRECURSOR_SCAN_NO 7997 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3833; ORIGINAL_PRECURSOR_SCAN_NO 3831 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3865; ORIGINAL_PRECURSOR_SCAN_NO 3862 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3858; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7945; ORIGINAL_PRECURSOR_SCAN_NO 7943 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3838; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3837; ORIGINAL_PRECURSOR_SCAN_NO 3832 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3853; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8013; ORIGINAL_PRECURSOR_SCAN_NO 8011 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7980; ORIGINAL_PRECURSOR_SCAN_NO 7977 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7934; ORIGINAL_PRECURSOR_SCAN_NO 7932 D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE standard compound; INTERNAL_ID 2620 D016573 - Agrochemicals D010575 - Pesticides
Coumachlor
D006401 - Hematologic Agents > D000925 - Anticoagulants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3090 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Caffeic acid 3-glucoside
Caffeic acid 3-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Caffeic acid 3-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Caffeic acid 3-glucoside can be found in american cranberry, which makes caffeic acid 3-glucoside a potential biomarker for the consumption of this food product.
1-O-Caffeoyl-beta-D-glucose
1-o-caffeoyl-beta-d-glucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-caffeoyl-beta-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-caffeoyl-beta-d-glucose can be found in a number of food items such as wild leek, garden onion, orange bell pepper, and green bell pepper, which makes 1-o-caffeoyl-beta-d-glucose a potential biomarker for the consumption of these food products.
Streptidine 6-phosphate
5-Fluorouridine monophosphate
5-Fluorouridine monophosphate is a metabolite of fluorouracil. Fluorouracil (5-FU or f5U) (sold under the brand names Adrucil, Carac, Efudix, Efudex and Fluoroplex) is a drug that is a pyrimidine analog which is used in the treatment of cancer. It is a suicide inhibitor and works through irreversible inhibition of thymidylate synthase. It belongs to the family of drugs called antimetabolites. It is typically administered with leucovorin. (Wikipedia)
triazolam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-Nitrophenyl 2-acetamido-2-deoxyhexopyranoside
Triazolam
Triazolam is only found in individuals that have used or taken this drug.It is withdrawn in the United Kingdom due to risk of psychiatric adverse drug reactions. This drug continues to be available in the U.S. Internationally, triazolam is a Schedule IV drug under the Convention on Psychotropic Substances.Benzodiazepines bind nonspecifically to bezodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Etizolam
According to the Italian P.I. sheet etizolam belongs to a new class of diazepines, thienotriazolodiazepines. This new class is easily oxidized, rapidly metabolized, and has a lower risk of accumulation, even after prolonged treatment. Etizolam has an anxiolytic action about 6 times greater than that of diazepam. Etizolam produces, especially at higher dosages, a reduction in time taken to fall asleep, an increase in total sleep time and a reduction in the number of awakenings. During tests there were not substantial changes in deep sleep. There is a reduction of REM sleep. In EEG tests of healthy volunteers Etizolam showed some characteristics of tricyclic antidepressants. Etizolam (marketed under the brand name Etilaam, Etizola, Sedekopan, Pasaden or Depas) is a thienodiazepine drug which is a benzodiazepine analog. The etizolam molecule differs from a benzodiazepine in that the benzene ring has been replaced by a thiophene ring. It possesses amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-O-Caffeoylglucose
Present in many plants, e.g. Solanum, Raphanus etc. subspecies 1-O-Caffeoylglucose is found in many foods, some of which are jostaberry, redcurrant, brassicas, and strawberry. 1-O-Caffeoylglucose is found in black elderberry. 1-O-Caffeoylglucose is present in many plants, e.g. Solanum, Raphanus etc. species.
Glucocaffeic acid
Isolated from flax (Linum usitatissimum). Glucocaffeic acid is found in many foods, some of which are coffee and coffee products, redcurrant, tea, and gooseberry. Glucocaffeic acid is found in blackcurrant. Glucocaffeic acid is isolated from flax (Linum usitatissimum
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)propanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
3-Hydroxyphenylpropionic acid glucuronide
3-Hydroxyphenylpropionic acid glucuronide is an endogenous phenolic acid metabolite detected after the consumption of whole grain.
2-(N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose
D-Glucose, 6-deoxy-6-((7-nitro-4-benzofurazanyl)amino)-
(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal
4'-Nitrophenyl-2-acetamido-2-deoxy-beta-glucopyranoside
6-Hydroxymelatonin sulfate
(E)-3-[1-(Benzenesulfonyl)indol-5-yl]-N-hydroxyprop-2-enamide
hydroxysyringaresinol
4,2-Epoxy-4-hydroxy-5,7,5-trimethoxy-3-phenylcoumarin
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
7,3-Dihydroxy-5,4-dimethoxy-6-formyl-4-phenylcoumarin
6-Hydroxy-7,2-dimethoxy-4,5-methylenedioxyisoflavone
N2-[3-(Trifluoromethyl)phenyl]-4-cyano-5-(methylthio)thiophene-2-carboxamide
53FTA
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
7-xi-D-Glucopyranosyloxy-5-methoxy-phthalid|7-xi-D-glucopyranosyloxy-5-methoxy-phthalide
(2S)-beta-D-3-[[5-Deoxy-5-(demethylarsinoyl)oxy]-2-hydroxypropanoic acid
2-O-caffeoyl-D-glucopyranose|2E-caffeoyl-D-glucopyranoside
cis-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4-(2-imidazolyl)-1,2,3-trithiane
7-hydroxy-5-methoxy-phthalide 7-O-beta-D-glucoside|7-hydroxy-5-methoxyphthalide 7-O-beta-D-glucopyranoside
1,8-dihydroxy-6-methoxy-2-methoxycarbonyl-3-methyl-9,10-anthraquinone|Cinnaluteinmethylester|Endocrocin-methylester-6-methylether
9,10-Dihydro-3,8-dihydroxy-4-methoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
myo-inositol 5-caffeate|myo-inositol 5-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate]
Acetic acid [(4,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthracen)-2-yl]methyl ester
9,10-Dihydro-3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
5,7-Dihydroxy-8-methyl-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]chromone
2-[1,4-diamino-4-(4-carboxy-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxylic acid
5-hydroxy-6,7-dimethoxy-3,4-methylenedioxyisoflavone
4,8-dihydroxy-3-methoxy-1-methyl-anthraquinone-2-carboxylic acid methyl ester
dimethyl-8-methoxy-9-oxo-9h-xanthene-1,6-dicarboxylate
3,4-dimethoxy-1-(7-methoxy-4-oxo-4H-chromen-3-yl)benzo-2,5-quinone
2-acetyl-5-(prop-1-ynyl)thiophen 3-O-beta-D-glucopyranoside|2-acetyl-5-(prop-1-ynyl)thiophene 3-O-beta-D-glucopyranoside
3,8-dihydroxy-2,10-dimethoxy-[1]-benzopyrano[3,2-c][2]-benzopyran-7(5H)-one|acanilol B
(6R,7R)-1-aza-3-methyl-7-(m-carboxypentanamido)-8-oxo-5-thiabicyclo<4.2.0>oct-2-ene carboxylic acid|(6R,7R)-1-aza-3-methyl-7-(m-carboxypentanamido)-8-oxo-5-thiabicyclo[4.2.0]oct-2-ene carboxylic acid|7-aminodeacetoxycephalosporanic acid|adipyl-7-ADCA|adipyl-7-aminodesacetoxycephalosporanic acid
(8R,9S)-8-(3,4-dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-2H,8H-pyrano[2,3-f]chromen-2-one|isophyllocoumarin
7-hydroxy-3,5-di-methoxy-3,4-methylenedioxyflavone
1,7-dimethoxy-4-hydroxy-5,6-methylenedioxy-2-methylanthraquinone
5,6-(Methylenedioxy)-1-hydroxy-2-methyl-4,7-dimethoxyanthracene-9,10-dione
3,4,4a,10b-tetrahydro-3,4,8-trihydroxy-2-hydroxymethyl-7,9-dimethoxypyrano[3,2-c][2]benzopyran-6(2H)-one
2-(4-hydroxybenzoyl)-3-[(E)-1-(4-hydroxyphenyl)methylidene]succinic acid
1,3,8-Trimethoxy-9-hydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
1,3,6,8-tetrahydroxy-2-tetrahydrofuran-2-yl-anthraquinone|bipolarin
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
5,7-Dihydroxy-6-methyl-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]chromone
3-[5-(1,2-dihydroxy-ethyl)-3,4-dihydroxy-2-oxo-tetrahydro-furan-3-yl]-3-(4-hydroxy-phenyl)-propionic acid|Conocarpinsaeure
3,5,7-trihydroxychromone 3-O-alpha-L-rhamnopyranoside
(2R,3R,4S,5R)-3,4,5,6-TETRAHYDROXY-2-((7-NITROBENZO-[C][1,2,5]OXADIAZOL-4-YL)AMINO)HEXANAL
Boscalid
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2938
C15H18O9_(2E)-3-[3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl]acrylic acid
Linocaffein
etizolam
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
5-(p-Toluenesulfonate)-2,3-O-isopropylidene-2-C-methyl-D-ribonic-gamma-lactone
3-[3-(4-nitrophenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate
4-AMINO-2-P-TOLYL-2H-9-THIA-4A-AZA-FLUORENE-1,3-DICARBONITRILE
5-[4-(Cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,2,5-thiadiazo lidin-3-one 1,1-dioxide
1-[3-AMINO-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDIN-2-YL]ETHAN-1-ONE
6-(BENZYLOXY)-4-CHLORO-7-METHOXYQUINOLINE-3-CARBOXAMIDE
Tilomisole
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
2-[2-HYDROXY-1-(HYDROXYMETHYL)-2-(4-NITROPHENYL)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE
2-nitrophenyl-n-acetyl-beta-d-glucosaminide
4-Nitrophenyl 2-acetamido-2-deoxyhexopyranoside
N-[2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline,iodide
2-[(4-AMINOPHENYL)SULFANYL]-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
2-Nitrophenyl 2-acetamido-2-deoxy-b-D-galactopyranose
ETHYL 3-[(2-ETHOXY-2-OXOETHYL)THIO]-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
4-Nitrophenyl N-acetyl-β-D-galactosaminide
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER
Flutoprazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(1,4,8,11-tetrathiacyclotetradec-6-yloxy)acetic acid
4-nitrophenyl N-acetyl-α-D-galactosaminide
tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
o-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
[2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propyl]epoxide
Difenyl[(S)-Pyrrolidine-3-Yl]Acetonitril hydrobromide
(2-HYDROXY-5-METHOXY-PHENYL)-(1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone
8-amino-5-[(p-aminophenyl)azo]naphthalene-2-sulphonic acid
5-Chloro-6-methyl-3-[4-(methylsulfinyl)phenyl]-2,3-bipyridine
N-(3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide
Ro 60-0175 fumarate
Ro60-0175 fumarate is a potent and selective agonist of 5-HT2C receptor[1].
R-2,2-dihydroxy-[1,1-Binaphthalene]-3,3-dicarboxaldehyde
3-(3,5-diformylphenyl)-[1,1-biphenyl]-3,5-dicarbaldehyde
3-(3,4-DICHLOROPHENYL)-1-(4-FLUOROBENZYL)-1-METHOXYUREA
N-[4-(Methylamino)benzoyl]-L-glutamic acid zinc salt
(E)-Methyl 3-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)acrylate
9-Chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-3h-pyrrolo(3,2-f)quinolin-7(6h)-one
(E)-3-[1-(Benzenesulfonyl)indol-5-yl]-N-hydroxyprop-2-enamide
n-(4-Methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
4-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
3,5-Dimethyl-4-[[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]methyl]isoxazole
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazole-2-thione
Hydroxydihydrosterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
N-(1,3-benzodioxol-5-ylmethyl)-8-quinolinesulfonamide
3-[2-(2,4-Dichlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
2-[(3-Fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone
4-[5-(2-Carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-YL]-benzoic acid
(2Z)-N-(3-chloro-2-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
(4-Sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-YL-ethyl) ester
mycophenolate sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
hydroxysyringaresinol
(1S,2R,3S,4S,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl phosphate
(1R,2S,6R)-1,6,9,10-tetrahydroxy-2,5,6,7-tetrahydroanthra[3,2-b]furo[2,1-d]furan-8(1H)-one
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
N-Cyclohexyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
2-[[3-Cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester
1,3-Dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione
N-(5-chloro-2-pyridinyl)-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
2-[3-(3-chlorophenyl)-5-isoxazolyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one
6-(2-Chloroanilino)-4-oxo-2-pyridin-4-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
5-Hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester
N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine
N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2,4-dimethylbenzamide
4-(1-Benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
4-methyl-N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]benzamide
2-[4-[4-(Difluoromethoxy)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl]acetic acid ethyl ester
3-[(2-Chloro-6-fluorophenyl)methyl]-5-fluoro-1-(2-oxolanyl)pyrimidine-2,4-dione
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamine
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxolanecarboxamide
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e:1,2-f][7]annulen-11-ol
N-[(5-bromo-1H-indol-3-yl)methylene]isonicotinohydrazide
2-[[4-(Trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
(2S,3S,4R)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
[(3S,3aS,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] hydrogen sulfate
3,4,5-Trihydroxy-6-[2-(4-hydroxyphenyl)propanoyloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-hydroxyphenyl)propanoyloxy]oxane-2-carboxylic acid
6-(4-Ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[1-(7-Methoxy-2-oxochromen-6-yl)-3-oxobutyl] hydrogen sulate
(10-Hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl) hydrogen sulate
[5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate
(2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylic acid
Caffeic acid 3-glucoside
A hydroxycinnamic acid that is trans-caffeic acid in which the phenolic hydroxy group at position 3 has been converted into its beta-D-glucoside.
1-Caffeoyl-beta-D-glucose
A cinnamate ester obtained by the formal condensation of the 1-hydroxy group of beta-D-glucopyranose with the carboxy group of trans-caffeic acid.
Thiophanate-methyl
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides
COUMACHLOR
D006401 - Hematologic Agents > D000925 - Anticoagulants D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-nitrophenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
2-nitrophenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group.
2-nitrophenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group.
4-nitrophenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
5-fluorouridine 5-monophosphate
A pyrimidine ribonucleoside 5-monophosphate having 5-fluorouracil as the pyrimidine component.
HIF-1/2α-IN-2
HIF-1/2α-IN-2 is an inhibitor of HIF-1/2α. HIF-1/2α-IN-2 decrease HIF-1/2α levels and induces iron starvation response by targeting Iron Sulfur Cluster Assembly 2 (ISCA2)[1].
(5s,6r)-6-hydroxy-7-methylidene-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5h,6h-cyclopenta[c]pyran-1-one
3,6,8-trihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid
2,3,4,5,6-pentahydroxycyclohexyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
5-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
(6r)-4,6,11-trihydroxy-9-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
(2s)-3-{[(2r,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2-hydroxypropanoic acid
2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaen-20-one
2-(4-hydroxybenzoyl)-3-[(4-hydroxyphenyl)methylidene]butanedioic acid
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
(2e)-3-(3-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
4,6,9,11-tetrahydroxy-8,10-dimethyl-6h-5,7-dioxatetraphen-12-one
7-(4-hydroxy-3,5-dimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
5-chloro-3-(2,4-dihydroxyheptyl)-6,8-dihydroxyisochromen-1-one
3,9,11-trihydroxy-6-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
1,6-dimethyl 8-methoxy-9-oxoxanthene-1,6-dicarboxylate
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-1-benzofuran-2-one
12,13-dimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione
5,7-dihydroxy-3-[(4-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]-8-methylchromen-4-one
(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(4,5-dihydroxy-7-methoxy-9,10-dioxoanthracen-2-yl)methyl acetate
(2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-4-methyl-3,5-dihydroimidazol-4-yl]propanoic acid
6-hydroxy-7-methoxy-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
1-caffeoylglucose
{"Ingredient_id": "HBIN002430","Ingredient_name": "1-caffeoylglucose","Alias": "NA","Ingredient_formula": "C15H18O9","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxyisoophiopogonone a
{"Ingredient_id": "HBIN005804","Ingredient_name": "2'-hydroxyisoophiopogonone a","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "NA","Ingredient_weight": "342.3","OB_score": "NA","CAS_id": "149155-31-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8609","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxyophiopogonone a
{"Ingredient_id": "HBIN005819","Ingredient_name": "2'-hydroxyophiopogonone a","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "NA","Ingredient_weight": "342.3","OB_score": "NA","CAS_id": "149155-30-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8605","PubChem_id": "NA","DrugBank_id": "NA"}
4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
{"Ingredient_id": "HBIN010027","Ingredient_name": "4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6247","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,2'-trihydroxy-6-methyl-3-(3',4'-methylene-dioxybenzyl)chromone
{"Ingredient_id": "HBIN011169","Ingredient_name": "5,7,2'-trihydroxy-6-methyl-3-(3',4'-methylene-dioxybenzyl)chromone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)C(=CO2)CC3=C(C4=C(C=C3)OCO4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-caffeoyl-D-glucopyranose
{"Ingredient_id": "HBIN012649","Ingredient_name": "6-O-caffeoyl-D-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O9","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O)O","Ingredient_weight": "342.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36111","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10427456","DrugBank_id": "NA"}
9-o-methyl-4-hydroxyboeravinone
{"Ingredient_id": "HBIN014166","Ingredient_name": "9-o-methyl-4-hydroxyboeravinone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(OC4=C3C=CC=C4O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14490","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
