Exact Mass: 333.1973686
Exact Mass Matches: 333.1973686
Found 403 metabolites which its exact mass value is equals to given mass value 333.1973686,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Spartioidine
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12 and two oxo substituents at positions 11 and 16. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2297 [Raw Data] CB082b_Seneciphylline_pos_40eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_30eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_20eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_10eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_50eV_CB000034.txt Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Tebufenpyrad
CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138
Primidolol
C17H23N3O4 (333.16884780000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Same as: D02389
2-(4-methoxyphenyl)-1-phenyl-1-(2-pyridinyl)-2-butanol
Ipconazole
CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10110; ORIGINAL_PRECURSOR_SCAN_NO 10108 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10150 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10120 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10154; ORIGINAL_PRECURSOR_SCAN_NO 10152 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097
(11S,14S)-Cyclo-(L-Trp-L-Phe)
A natural product found in Aspergillus sydowii.
Pefloxacin
C17H20FN3O3 (333.14886220000005)
Pefloxacin is only found in individuals that have used or taken this drug. It is a synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. [PubChem]The bactericidal action of pefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Mahanimbinol
Mahanimbinol is found in herbs and spices. Mahanimbinol is an alkaloid from Murraya koenigii (curryleaf tree). Alkaloid from Murraya koenigii (curryleaf tree). Mahanimbinol is found in herbs and spices.
Deptropine
Deptropine is a tricyclic H1-antihistamine.
4-Hydroxyoctanedioylcarnitine
4-hydroxyoctanedioylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxyoctanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-hydroxyoctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-hydroxyoctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyoctanedioylcarnitine
3-hydroxyoctanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyoctanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyoctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyoctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-(2-Hydroxyethoxy)-6-oxohexanoylcarnitine
6-(2-hydroxyethoxy)-6-oxohexanoylcarnitine is an acylcarnitine. More specifically, it is an 6-(2-hydroxyethoxy)-6-oxohexanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-(2-hydroxyethoxy)-6-oxohexanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-(2-hydroxyethoxy)-6-oxohexanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-(4-(2-(4-(2,2-Dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine
Carbetapentane
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents Pentoxyverine (Carbetapentane) is an orally active sigma-1 receptor agonist, with Kis of 41 nM, 894 nM and 75 nM for σ1, σ2 and guinea-pig brain membran σ1, respectively. Pentoxyverine is a muscarinic antagonist. Pentoxyverine is a potent antitussive, anticonvulsant, and spasmolytic agent. Pentoxyverine can be used for inhibiting bronchial interceptor, weakening of cough reflex, bronchial smooth muscle relaxation and reduction of airway resistance[1][2][3][4].
Nolomirole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
Ethyl 2-[2-(diethylamino)ethoxy]-1-phenylcyclopentane-1-carboxylate
Seneciphylline
1ST14177
Seneciphylline is a white powder. (NTP, 1992) LSM-2853 is a citraconoyl group. Seneciphylline is a natural product found in Senecio bollei, Tussilago farfara, and other organisms with data available. Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Sinococuline
Sinococuline is a natural product found in Cocculus trilobus, Stephania excentrica, and Stephania cephalantha with data available.
Tropatepine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
4-(3,4-dimethoxyphenyl)-4-<2-(acetylmethyloamino)ethyl>cyclohexanone
4,8-dimethyl-6-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-hydroxyquinoline|4,8-dimethyl-6-O-(2?,4?-di-O-methyl-beta-D-xylopyranosyl)hydroxyquinoline
N-[trans-4-(2-hydroxy-1-methylethyl)cyclohexanecarbonyl]-D-phenylalanine
3,4-Dimethoxy-benzoic acid 8-isopropyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
N-[trans-4-(1-hydroxy-1-methylethyl)cyclohexanecarbonyl]-D-phenylalanine
1-(4-hydroxy-3-methoxypheny)-2-<(4-hydroxy-3-methoxyphenetyl)amino>ethanol|1-(4-hydroxy-3-methoxypheny)-2-[(4-hydroxy-3-methoxyphenetyl)amino]ethanol
3-(2-hydroxy-3-methyl-but-3-enyl)-4,7,8-trimethoxy-1-methyl-1H-quinolin-2-one|Isoptelefolin
Tilivalline
A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells.
2,3,5,6-Tetrahydro,Me ether-4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one
(2R)-2-[N-(trans-4-isopropylcyclohexylcarbonyl)amino]-3-(4-hydroxyphenyl)-propionic acid
Convolicine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Seneciphylline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.402 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
(7aS)-7c-(6-hydroxymethyl-benzo[1,3]dioxol-5-yl)-6c-methoxy-1-methyl-(7ar)-2,3,5,6,7,7a-hexahydro-indol-5t-ol|9,10-methanediyldioxy-1,6-dimethyl-6,7-seco-lycoran-4(12)-ene-5alpha,7-diol|Galanthusin|galanthusine|O6-methyl-tetrahydro-hippeastrine
Pentoxyverine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents Pentoxyverine (Carbetapentane) is an orally active sigma-1 receptor agonist, with Kis of 41 nM, 894 nM and 75 nM for σ1, σ2 and guinea-pig brain membran σ1, respectively. Pentoxyverine is a muscarinic antagonist. Pentoxyverine is a potent antitussive, anticonvulsant, and spasmolytic agent. Pentoxyverine can be used for inhibiting bronchial interceptor, weakening of cough reflex, bronchial smooth muscle relaxation and reduction of airway resistance[1][2][3][4].
3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Pefloxacin
C17H20FN3O3 (333.14886220000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Tebufenpyrad
tert-butyl N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
C18H28BNO4 (333.21112780000004)
Drotebanol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ISOPROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Saxagliptin hydrate
C18H27N3O3 (333.20523119999996)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
N-(2-(dimethylamino)ethyl)-N-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide
C17H28BN3O3 (333.22236080000005)
6,7-Diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
[6-(2-methylbutan-2-yl)pyridin-2-yl]-diphenylphosphane
4-(2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholine
C18H28BNO4 (333.21112780000004)
TERT-BUTYL 7-AMINO-4-OXO-3,4-DIHYDROSPIRO[BENZO[E][1,3]OXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE
C17H23N3O4 (333.16884780000004)
benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
2-(2-Morpholinoethylamino)pyridine-5-boronic acid pinacol ester
C17H28BN3O3 (333.22236080000005)
2-acetamido-n-(e-aminocaproyl)-2-deoxy-beta-d-glucopyranosylamine
Sibutramine hydrochloride monohydrate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Enpromate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
N-(2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclohexanamine
tert-Butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
C18H28BNO4 (333.21112780000004)
tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
C18H28BNO4 (333.21112780000004)
Pentanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-4-methyl-, 1,1-dimethylethyl ester, (2R)-
3-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
2-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
(2S,3R)-1-Benzyl 3-tert-butyl 2-methylpiperidine-1,3-dicarboxylate
3-Oxo-3-(1-Cbz-Piperidin-4-Yl)-Propionic Acid Ethyl Ester
(E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide
TERT-BUTYL4-(2-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE
C18H27N3O3 (333.20523119999996)
4-(2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-ethyl)-morpholine
C18H28BNO4 (333.21112780000004)
trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-METHYLBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide
(2,6-DIOXO-3,6-DIHYDROPYRIMIDIN-1(2H)-YL)ACETICACID
C18H27N3O3 (333.20523119999996)
4-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholine
C18H28BNO4 (333.21112780000004)
N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOHEXANAMINE
TERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYLCARBAMATE
C18H28BNO4 (333.21112780000004)
1-Benzyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole
13,14-dihydro-14,14-dimethyl-benz[c]indeno[2,1-a]carbazole
4-amino-N-(1-(3-methoxypropyl)piperidin-4-yl)-2,3-dihydrobenzofuran-7-carboxamide
C18H27N3O3 (333.20523119999996)
N-Benzyl-3-(tert-butyldimethylsilanyloxymethyl)piperid-4-one
3-((n-boc-amino)methyl)phenylboronic acid
C18H28BNO4 (333.21112780000004)
trans-4-Cyano[1,1-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate
3-nitro-2,6-di(piperidin-1-yl)benzoic acid
C17H23N3O4 (333.16884780000004)
octyl 2-acetamido-2-deoxy-b-d-glucopyranoside
C16H31NO6 (333.21512659999996)
tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
C18H28BNO4 (333.21112780000004)
BENZYL (+/-)-TRANS-N-BOC-4-METHYL-PIPERIDINE-2-CARBOXYLATE
1-METHYL-2,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE
1-Benzyl 3-ethyl 3-isopropyl-1,3-piperidinedicarboxylate
Isomylamine hydrochloride
C18H36ClNO2 (333.24344260000004)
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-(4-(2-(4-(2,2-Dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine
Phe-Ala-Pro
C17H23N3O4 (333.16884780000004)
A tripeptide composed of L-phenylalanine, L-alanine and L-proline joined in sequence by peptide linkages.
5-[[[(5-Tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-
D004396 - Coloring Agents > D002232 - Carbocyanines
1-Azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone
1-(3,5-Dimethylphenyl)-4-(1-ethyl-2-benzimidazolyl)-2-pyrrolidinone
(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol
deptropine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(1S,9S,10S,13R)-3,4-Dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines
(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoate
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate
(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate
octyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
C16H31NO6 (333.21512659999996)
(7R,11S,16S)-7-hydroxy-ent-kauran-11,16-epoxy-19-oate
(7S,11S,16S)-7-hydroxy-ent-kauran-11,16-epoxy-19-oate
(7E,9E,11Z,13E,15R)-(5S,6S)-5,6-epoxyicosa-15-hydroxy-7,9,11,13-tetraenoate
(7E,9E,11Z,13E,15S)-(5S,6S)-5,6-epoxyicosa-15-hydroxy-7,9,11,13-tetraenoate
7-[[(3R,4R)-3-(butylsulfanylmethyl)-4-methylpyrrolidin-1-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
(4Z)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione
N-bicyclo[2.2.1]hept-2-yl-2-[(2,3-dimethoxyphenyl)methylene]-1-hydrazinecarbothioamide
Leu-Asp-Ser
C13H23N3O7 (333.15359279999996)
A tripeptide composed of L-leucine, L-aspartic acid and L-serine joined in sequence by peptide linkages.
7,8-Dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline
(5S,18S)-dihydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate
2-cyclopentyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
1-(2-{4-[(4-Carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium
2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide
5,20-diHEPE(1-)
An icosanoid anion that is the conjugate base of 5,20-di-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
N-(3,3-dimethylbutyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
12(S)-HpEPE(1-)
A 12-HPEPE anion that is the conjugate base of 12(S)-HpEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
15-dehydroprostaglandin A1(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of 15-dehydro-prostaglandin A1, obtained by deprotonation of the carboxy group.; major species at pH 7.3.
12-Hpepe(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 12-HPEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide
C17H23N3O4 (333.16884780000004)
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
Tert-butyl 2-[3-(mesitylamino)-1-methyl-3-oxopropylidene]hydrazinecarboxylate
C18H27N3O3 (333.20523119999996)
1,3-Dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
C17H23N3O4 (333.16884780000004)
3-hydroxy-7-(hydroxymethyl)-6-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Spectinomycin(1+)
C14H25N2O7+ (333.16616799999997)
A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oate
(5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoate
(5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoate
(5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oate
(5S,6E,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazinyl)acetamide
C17H23N3O4 (333.16884780000004)
N-[(1S)-2-hydroxy-1-phenylethyl]-N-(3-methylbut-2-enyl)-3-phenyl-2-propynamide
N-[(2R)-1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
3-Ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(2S,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
4-Hydroxy-5-heptyl-6H-pyrido[3,2,1-jk]carbazole-6-one
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
4-[4-[(6R,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
N-[(2S)-1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoate
(3R,9R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxydecanoate
2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
14-oxo-15-hydroxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate
(15S)-hydroperoxy-(5Z,8Z,11Z,13E,17Z)-eicosapentaenoate
(3R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxydecanoate
7-[[(2S)-2-aminopropyl]amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
C17H20FN3O3 (333.14886220000005)
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
[(5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
4-(3-Acetyloxy-2-propanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
5-(2-(6-Methyl-3-pyridyl)ethyl)-2-propyl-1,2,3,4-tetrahydro-gamma-carboline
2-(4-(8-Chloro-3,7-dimethylocta-2(E),6(E)-dienyl)-1,3,3-trimethyl-1-cyclohexen-2-YL)acetonitrile
prostaglandin J2(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(18S)-resolvin E2(1-)
An icosanoid anion that is the conjugate base of (18S)-resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
soppiline A(1-)
A hydroxy monocarboxylic acid anion that is the conjugate base of soppiline A, arising from the deprotonation of the carboxy group. Major species at pH 7.3.
prostaglandin B2(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin C2(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin C2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
leukotriene B5(1-)
An icosanoid anion that is the conjugate base of leukotriene B5, obtained by deprotonation of the carboxy group; major species at pH 7.3.
resolvin E2(1-)
A polyunsaturated fatty acid anion that is the conjugate base of resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin A2(1-)
A prostaglandin carboxylic acid anion resulting from the removal of the proton from the carboxy group of prostaglandin A2.
pyranonigrin H
A member of the class of pyranopyrroles with formula C18H23NO5, originally isolated from Aspergillus niger.