Exact Mass: 357.1246
Exact Mass Matches: 357.1246
Found 500 metabolites which its exact mass value is equals to given mass value 357.1246,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deacetoxycephalosporin C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N-Deacetylcolchicine
Deacetylcolchicine is a carbotricyclic compound, an alkaloid and a member of acetamides.N-Deacetylcolchicine has been reported in Apis cerana
cyclo-dopa 5-O-glucoside
Cyclo-dopa 5-o-glucoside, also known as leucodopachrome 5-beta-D-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. Cyclo-dopa 5-o-glucoside is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclo-dopa 5-o-glucoside can be found in a number of food items such as almond, gooseberry, apricot, and pepper (c. pubescens), which makes cyclo-dopa 5-o-glucoside a potential biomarker for the consumption of these food products.
Cyhalofop-butyl
CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8186; ORIGINAL_PRECURSOR_SCAN_NO 8182 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8182; ORIGINAL_PRECURSOR_SCAN_NO 8179 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3854; ORIGINAL_PRECURSOR_SCAN_NO 3852 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3854; ORIGINAL_PRECURSOR_SCAN_NO 3851 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3828; ORIGINAL_PRECURSOR_SCAN_NO 3825 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8179; ORIGINAL_PRECURSOR_SCAN_NO 8176 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3830; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8167; ORIGINAL_PRECURSOR_SCAN_NO 8165 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8182; ORIGINAL_PRECURSOR_SCAN_NO 8180 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8172; ORIGINAL_PRECURSOR_SCAN_NO 8170 CONFIDENCE standard compound; INTERNAL_ID 747; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3826
deoxyviolaceinic acid
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by an indol-3-yl group.
Rosiglitazone
Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha-binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFκB) levels fall and inhibitor (IκB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes; Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. It is being marketed as Avandia by the pharmaceutical company GlaxoSmithKline, both as a standalone preparation and in combination with metformin (Avandamet). Another combination drug approved by the FDA is Avandaryl (with glimepiride); Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFkB) levels fall and inhibitor (IkB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes . [HMDB] Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha-binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFκB) levels fall and inhibitor (IκB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes; Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. It is being marketed as Avandia by the pharmaceutical company GlaxoSmithKline, both as a standalone preparation and in combination with metformin (Avandamet). Another combination drug approved by the FDA is Avandaryl (with glimepiride); Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFkB) levels fall and inhibitor (IkB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Rosiglitazone (BRL 49653) is an orally active selective PPARγ agonist (EC50: 60 nM, Kd: 40 nM). Rosiglitazone is an TRPC5 activator (EC50: 30 μM) and TRPM3 inhibitor. Rosiglitazone can be used in the research of obesity and diabetes, senescence, ovarian cancer[1][2][4][7].
5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole
5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole is a fda approved for use in food-contact polymers. FDA approved for use in food-contact polymers
HMBOA-Glc
Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are coffee and coffee products, corn, alcoholic beverages, and tea. HMBOA-Glc is found in alcoholic beverages. HMBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).
Cyclodopa glucoside
Cyclodopa glucoside is found in brassicas. Cyclodopa glucoside occurs in red beet cabbage juic
Gravacridonetriol
Gravacridonetriol is found in herbs and spices. Gravacridonetriol is an alkaloid from Ruta graveolens (rue
3-(3,4-dimethoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enimidic acid
Niazimicin
Niazimicin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niazimicin (niazimicin A and niazimicin B, respectively) differ in the orientation of the NH group with respect to sulfur. Constituent of Moringa oleifera (horseradish tree) (Moringaceae). Niazimicin A is found in fats and oils, herbs and spices, and green vegetables.
Balsalazide
Balsalazide is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease. It is sold under the name Colazal in the US and Colazide in the UK. The chemical name is (E)-5-[[-4-(2-carboxyethyl) aminocarbonyl] phenyl]azo] -2-hydroxybenzoic acid. It is usually administered as the disodium salt. Balsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. Its advantage over that drug in the treatment of Ulcerative colitis is believed to be the delivery of the active agent past the small intestine to the large intestine, the active site of ulcerative colitis. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
Haloperidol 1,2,3,6-tetrahydropyridine
Haloperidol 1,2,3,6-tetrahydropyridine is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
2-Methoxyacetaminophen glucuronide
2-Methoxyacetaminophen glucuronide is classified as 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. 2-Methoxyacetaminophen glucuronide is considered to be soluble (in water) and a moderately acidic compound.
[3H]Rosiglitazone
2-(Bis(2-(2,6-dioxomorpholino)ethyl)amino)acetic acid
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Danofloxacin
2,3-Dihydroxy-9,10,11-trimethoxy-5,8,13,13a-tetrahydroxy-6H-dibenzo(a,g)chinolysin
3-[Bis(4-methoxyphenyl)methylidene]-1H-indol-2-one
Trelagliptin
Desmethyltetrahydropiperine sulfate
O1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanehydroximamide
({[Benzyl(2-cyanoethyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-λ6-sulfane
BALSALAZIDE
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
(6aS)-1,2,10-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-9-ol
8-O-beta-D-glucopyranoside of 8-hydroxy-2-quinolone-4-carboxylic acid
1,3-Dihydroxy-4-[2-[2-(hydroxymethyl)oxiranyl]-2-hydroxyethyl]-10-methylacridine-9(10H)-one
(+)-northalbaicalidine|thalbaicaline|Thalibaicaline
2,3,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-1,9-diol|5,6,13,13a-Tetrahydro-1,9-dihydroxy-2,3,10-trimethoxy-8H-dibenzochinolizin|Capaurimin|dl-Capaurimine
1-(2-(dimethylamino)ethyl)-4-hydroxy-3,5,6-trimethoxy-9H-fluoren-9-one|caulophylline A
3-Demethoxy-2,3-methylenedioxyerythroculine|3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
10,11-dihydroxy-3,4-dimethoxy-6-methyl-5,7,8,14-tetrahydro-6H-dibenzo[c,g]azecin-13-one|Vaillantin|Vaillantine
(-)-8-oxopolyalthiaine|2,8,10-trihydroxy-3,9-dimethoxy-5,6,12,12a(S),6a-pentahydroisoquinolino-(2,1-b)-isoquinolin-7-one
Benzyladenosine
N6-Benzyladenosine is an adenosine receptor agonist, has a cytoactive activity. N6-Benzyladenosine arrests cell cycle at G0/G1 phase and induces cell apoptosis. N6-Benzyladenosine also exerts inhibitory effect on T. gondii adenosine kinase and glioma[1]-[5]. N6-Benzyladenosine is an adenosine receptor agonist, has a cytoactive activity. N6-Benzyladenosine arrests cell cycle at G0/G1 phase and induces cell apoptosis. N6-Benzyladenosine also exerts inhibitory effect on T. gondii adenosine kinase and glioma[1]-[5]. N6-Benzyladenosine is an adenosine receptor agonist, has a cytoactive activity. N6-Benzyladenosine arrests cell cycle at G0/G1 phase and induces cell apoptosis. N6-Benzyladenosine also exerts inhibitory effect on T. gondii adenosine kinase and glioma[1]-[5].
Danofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3664 CONFIDENCE standard compound; INTERNAL_ID 1027
rosiglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Rosiglitazone (BRL 49653) is an orally active selective PPARγ agonist (EC50: 60 nM, Kd: 40 nM). Rosiglitazone is an TRPC5 activator (EC50: 30 μM) and TRPM3 inhibitor. Rosiglitazone can be used in the research of obesity and diabetes, senescence, ovarian cancer[1][2][4][7].
C15H19NO9_2H-1,4-Benzoxazin-3(4H)-one, 2-(beta-D-glucopyranosyloxy)-7-methoxy-, (2R)
Carabersat
CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3826 C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3735; ORIGINAL_PRECURSOR_SCAN_NO 3733 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3830; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3784; ORIGINAL_PRECURSOR_SCAN_NO 3782 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3854; ORIGINAL_PRECURSOR_SCAN_NO 3852 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8151; ORIGINAL_PRECURSOR_SCAN_NO 8147 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8221; ORIGINAL_PRECURSOR_SCAN_NO 8218 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8179; ORIGINAL_PRECURSOR_SCAN_NO 8176 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8256; ORIGINAL_PRECURSOR_SCAN_NO 8254 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8172; ORIGINAL_PRECURSOR_SCAN_NO 8170 CONFIDENCE standard compound; INTERNAL_ID 1152; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8204; ORIGINAL_PRECURSOR_SCAN_NO 8203
Ala Gly Asn Pro
Ala Gly Pro Asn
Ala Asn Gly Pro
Ala Asn Pro Gly
Ala Pro Gly Asn
Ala Pro Asn Gly
Gly Ala Asn Pro
Gly Ala Pro Asn
Gly Gly Pro Gln
Gly Gly Gln Pro
Gly Asn Ala Pro
Gly Asn Pro Ala
Gly Pro Ala Asn
Gly Pro Gly Gln
Gly Pro Asn Ala
Gly Pro Gln Gly
Gly Gln Gly Pro
Gly Gln Pro Gly
Asn Ala Gly Pro
Asn Ala Pro Gly
Asn Gly Ala Pro
Asn Gly Pro Ala
Asn Pro Ala Gly
Asn Pro Gly Ala
Pro Ala Gly Asn
Pro Ala Asn Gly
Pro Gly Ala Asn
Pro Gly Gly Gln
Pro Gly Asn Ala
Pro Gly Gln Gly
Pro Asn Ala Gly
Pro Asn Gly Ala
Pro Gln Gly Gly
Gln Gly Gly Pro
Gln Gly Pro Gly
Gln Pro Gly Gly
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Gravacridonetriol
Cyclodopa glucoside
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)
2,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
6-Chloro-2-(2-methyl-2-propanyl)-7-(1-piperazinylsulfonyl)-1,3-be nzoxazole
Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(1-T-butoxycarbonyl-1-methyl)ethoxyimino acetate
4-CHLORO-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
Etibendazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(4S)-3-[(5R)-5-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL]-4-PHENYL-1,3-OXAZOLIDIN-2-ONE
Cyproquinate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
1-(5-methoxy-2-methyl-4-nitrophenyl)-4-(2-methylsulfonylethyl)piperazine
Etersalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1,3,5-Tris(aminomethyl)-2,4,6-triethylbenzene trihydrochloride
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-[3-(trifluoromethyl)benzoyl]- (9CI)
2-Methyl-2-propanyl 4-[4-(trifluoromethyl)benzoyl]-1-piperidineca rboxylate
3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoic acid
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
Hasubanan-7-one,5,6-didehydro-4,6-dimethoxy-17-methyl-2,3-[methylenebis(oxy)]-
5-(aminosulphonyl)-N-[[1-(2-hydroxyethyl)-2-pyrrolidinyl]methyl]-2-methoxybenzamide
10-(2-chloroethyl)-6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
Methyl 3-amino-2-[[(2-cyanobiphenyl-4-yl)methyl]amino]benzoate
N-(3-NITRO-2-PYRIDINESULFENYL)-L-GLUTAMIC ACID GAMMA-T-BUTYL ESTER
2-ALLYL-1-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-2-YL)-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3(2H)-ONE
TERT-BUTYL ACETYL(3-ACETYL-7-METHOXYNAPHTHALEN-1-YL)CARBAMATE
TERT-BUTYL (3-BROMO-5-(TERT-BUTYL)-4-METHOXYPHENYL)CARBAMATE
4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID BENZOTRIAZOL-1YL ESTER
Trelagliptin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
4-hydroxy-1-isobutyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide
phenyl (3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
(4R)-3-[(5R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
(S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
N,N-Bis(2,3-dihydroxypropyl)-5-nitro-1,3-benzenedicarboxamide
3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile
(aR,bS)-rel-a-Hydroxy-b-[[(phenylmethoxy)carbonyl]amino]-benzenebutanoic acid
8-BOC-3-(TRIFLUOROMETHYLSULFONYLOXY)-8-AZABICYCLO[3.2.1]OCT-3-ENE
7-Chloro-N-(4-fluoro-3-{[(2-methyl-2-propanyl)amino]methyl}phenyl )-4-quinolinamine
N-(6-Amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
(2S,3R)-N-(2-(3-Pyridinylmethyl)-1-azabicyclo(2.2.2)oct-3-yl)-3,5-difluorobenzamide
2-Biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid
Piperidine, 4-(2-((2,4,6-trifluorophenoxy)methyl)phenyl)-, hydrochloride (1:1)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
4-(4-(4-Chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-1-(4-fluorophenyl)-1-butanone
3-[Bis(4-methoxyphenyl)methylidene]-1H-indol-2-one
1-Cyclopropyl-6-fluoro-7-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxoquinoline-3-carboxylic acid
9,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]-N-(2-oxolanylmethyl)acetamide
4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
3-[[2-(3,5-Dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
4-[[2-(Phenylmethyl)-1-benzimidazolyl]sulfonyl]morpholine
3-[[2-(4-Fluorophenoxy)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
3-{[4-([Amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole
3-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-5-methoxy-1,1-biphenyl-2-olate
[2-(aminooxy)ethyl]{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium (non-preferred name)
(5z)-2-[(1s,2r)-1-Amino-2-Hydroxypropyl]-5-[(4-Amino-1h-Indol-3-Yl)Methylene]-3-(2-Hydroxyethyl)-3,5-Dihydro-4h-Imidazol-4-One
Ethyl 5-[2-(mesitylamino)-1,3-thiazol-4-yl]isoxazole-3-carboxylate
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
Cellobionate
A carbohydrate acid anion that is the conjugate base of cellobionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
(Z)-7-[(2S)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
2-Methoxyacetaminophen glucuronide
A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group.
Pipemidic acid trihydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
(S)-methyl 4-(6-benzyl-4-oxo-4H-pyran-3-carboxamido)-2-methyl-4-oxobutanoate
A natural product found in Aspeciesrgillus species.
1-(2,1,3-Benzothiadiazol-4-yl)-3-[(E)-(3,4-dimethoxyphenyl)methyleneamino]urea
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-o-tolylurea
N-[3-(1,3-benzothiazol-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]acetamide
1-(4-Fluorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
N1-(4-chloro-3-cyanophenyl)-N2-(4-methoxyphenethyl)oxalamide
4-[5-Oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
5-(2-Furanyl)-2-[(2-phenylanilino)methylidene]cyclohexane-1,3-dione
1-(4-Ethoxyphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
6-(4-Ethoxy-3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester
(2-Aminooxy-ethyl)-[5-(6-amino-purin-9-YL)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium
4-methoxy-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
3-[3-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]propyl]-1H-benzimidazol-2-one
N-(4-methoxy-2-nitrophenyl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
4-(4-Methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
2-[[4-Ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
6-[[4-(3-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
6-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
2-(Diphenylphosphanyl)-1-(2-methoxyphenyl)-1H-pyrrole
N-[5-fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydrochloride
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide
2-amino-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
6-[(2-Fluorophenyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
Cilastatin(1-)
The anion resulting from the removal of a proton from a carboxylic acid group of cilastatin.
4-hydroxy-1-(2-methylpropyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide
3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate(1-)
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
(5Z)-1-(4-chlorophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one
2-Amino-3-[(3-hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
N-[2-Benzyl-2-amino-2-(3-pyridyl)ethyl]phthalimide
2-(2-Hydroxy-3,5-di-tert-butylphenyl)-5-chlorobenzotriazole
O-ethyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
5-hydroxy-3,3,4,7-tetramethoxyflavone(1-)
A flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3,4,7-tetramethoxyflavone. The major species at pH 7.3.
HMBOA beta-D-glucoside
A beta-D-glucoside derived from 2-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine.
cyclodopa 5-beta-D-glucoside
An indolyl carbohydrate that is cyclodopa in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
AKT Kinase Inhibitor
AKT Kinase Inhibitor is an Akt kinase inhibitor with anti-tumor activity[1].
NEO 376
NEO 376 is a selective modulator of 5-HT1 receptor, GABA receptor and dopamine receptor, with anti-psychotic actively.
VU6005649
VU6005649 is a CNS penetrant mGlu7/8 receptor agonist with EC50s of 0.65 μM and 2.6 μM for mGlu7 receptor and mGlu8 receptor, respectively.
3-[(2r)-4-[(2e,4e,6e,8e,10e)-dodeca-2,4,6,8,10-pentaenoyl]-3-hydroxy-1-methyl-5-oxo-2h-pyrrol-2-yl]propanoic acid
(10s)-5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaen-11-ium-11-olate
2,4,11-trihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
methyl 6-hydroxy-3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate
6-[9-(3-chloro-1h-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
(10s)-14-hydroxy-3,4,5-trimethoxy-10-(methylamino)tricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-13-one
12-hydroxy-2,3,11-trimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphen-6-ium-6-olate
3-[(3s,6s,11ar)-1,4-dihydroxy-3-[2-(methylsulfanyl)ethyl]-7-oxo-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-6-yl]propanoic acid
methyl 3,5-dimethoxy-2-{4-oxo-6-[(1e)-prop-1-en-1-yl]-1h-pyridine-3-carbonyl}benzoate
methyl (1r,3s,7r)-17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.0¹,⁹.0³,⁷.0¹⁵,²⁰]icosa-8,15(20),16,18-tetraene-18-carboxylate
2-methoxy-3,5-dimethyl-6-[(2r,4z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]pyran-4-one
(6r,7r)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
14-methoxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,12-diol
3-{7-methoxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indol-2-ol
(9s,10r)-3-hydroxy-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-10-ium-10-olate
5,7,8,11-tetramethoxy-4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-2-one
4,10,11-trimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol
ethyl 1-sulfanyl-n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methanimidate
(1r,5s,13s,17s)-10,14,15-trimethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,14-tetraen-16-one
acetylcephalotaxine
{"Ingredient_id": "HBIN014465","Ingredient_name": "acetylcephalotaxine","Alias": "NA","Ingredient_formula": "C20H23NO5","Ingredient_Smile": "CC(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4","Ingredient_weight": "357.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "348","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "60128435","DrugBank_id": "NA"}
