Exact Mass: 277.1677848
Exact Mass Matches: 277.1677848
Found 496 metabolites which its exact mass value is equals to given mass value 277.1677848,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amitriptyline
Amitriptyline hydrochloride is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, amitriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, amitriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Amitriptyline may be used to treat depression, chronic pain (unlabeled use), irritable bowel syndrome (unlabeled use), diabetic neuropathy (unlabeled use), post-traumatic stress disorder (unlabeled use), and for migraine prophylaxis (unlabeled use). N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, also known as EDDP, is a major inactive metabolite of the opioid methadone. Methadone is an opioid drug that is often used to treat addiction to other opioids, such as heroin, oxycodone or fentanyl. Methadone is metabolised in the liver and small intestine where it is converted to EDDP through N-demethylation and cyclization by CYP3A4 (PMID: 15501692, 27320437). EDDP and methadone are eliminated through the kidneys. As such it is common to monitor the urine of patients in a clinical and forensic settings. EDDP is formed through N-desmethylmethadone reacting with itself and cyclizing through condensation of the secondary amine with the carbonyl group (PMID: 27320437). EDDP belongs to the family of compounds known as Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. EDDP is only found in individuals who have taken or been given methadone. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2825
Venlafaxine
Venlafaxine (brand name: Effexor or Efexor) is a bicyclic antidepressant and is usually categorized as a serotonin-norepinephrine reuptake inhibitor (SNRI), but it has been referred to as a serotonin-norepinephrine-dopamine reuptake inhibitor. It works by blocking the transporter reuptake proteins for key neurotransmitters affecting mood, thereby leaving more active neurotransmitter in the synapse. The neurotransmitters affected are serotonin (5-hydroxytryptamine) and norepinephrine (noradrenaline). Additionally, in high doses, it weakly inhibits the reuptake of dopamine. A comparison of adverse event rates in a fixed-dose study comparing venlafaxine 75, 225, and 375 mg/day with placebo revealed a dose dependency for some of the more common adverse events associated with venlafaxine use. The rule for including events was to enumerate those that occurred at an incidence of 5\\% or more for at least one of the venlafaxine groups and for which the incidence was at least twice the placebo incidence for at least one venlafaxine group. Tests for potential dose relationships for these events (Cochran-Armitage Test, with a criterion of exact 2-sided p-value <= 0.05) suggested a dose-dependency for several adverse events in this list, including chills, hypertension, anorexia, nausea, agitation, dizziness, somnolence, tremor, yawning, sweating, and abnormal ejaculation (Wyeth Monograph). Venlafaxine is an effective anti-depressant for many persons; however, it seems to be especially effective for those with treatment-resistant depression. Patients suffering from severe long-term depression typically respond better to venlafaxine than other drugs. However, venlafaxine has been reported to be more difficult to discontinue than other antidepressants. In addition, a September 2004 Consumer Reports study ranked venlafaxine as the most effective among six commonly prescribed antidepressants. However, this should not be considered a definitive finding, since responses to psychiatric medications can vary significantly from individual to individual. A black box warning has been issued with venlafaxine and with other SSRI and SNRI anti-depressants advising of risk of suicide. There is an additional risk if a physician misinterprets patient expression of adverse effects such as panic or akathisia. Careful assessment of patient history and comorbid risk factors such as drug abuse are essential in evaluating the safety of venlafaxine for individual patients. Another risk is serotonin syndrome. This is a serious effect that can be caused by interactions with other drugs and is potentially fatal. This risk necessitates clear information to patients and proper medical history. Venlafaxine is used primarily for the treatment of depression, generalized anxiety disorder, obsessive-compulsive disorder, social anxiety disorder, and panic disorder in adults. It is also used for other general depressive disorders. Although it is not approved for use in children or adolescents, there is considerable information by Wyeth on cautions if prescribed to this age group. Venlafaxine hydrochloride is a prescription antidepressant first introduced by Wyeth in 1993. As of August 2006, generic venlafaxine is available in the United States. CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7277; ORIGINAL_PRECURSOR_SCAN_NO 7275 CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7245; ORIGINAL_PRECURSOR_SCAN_NO 7242 CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7253; ORIGINAL_PRECURSOR_SCAN_NO 7251 CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7306; ORIGINAL_PRECURSOR_SCAN_NO 7304 CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7276; ORIGINAL_PRECURSOR_SCAN_NO 7274 CONFIDENCE standard compound; INTERNAL_ID 417; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7292; ORIGINAL_PRECURSOR_SCAN_NO 7289 D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1900 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE standard compound; INTERNAL_ID 8322 CONFIDENCE standard compound; INTERNAL_ID 1502 D049990 - Membrane Transport Modulators
terbutol
C17H27NO2 (277.20416819999997)
CONFIDENCE standard compound; INTERNAL_ID 1079; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10877; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 1079; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10902; ORIGINAL_PRECURSOR_SCAN_NO 10901 CONFIDENCE standard compound; INTERNAL_ID 1079; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10932; ORIGINAL_PRECURSOR_SCAN_NO 10927 CONFIDENCE standard compound; INTERNAL_ID 1079; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10957; ORIGINAL_PRECURSOR_SCAN_NO 10956 CONFIDENCE standard compound; INTERNAL_ID 1079; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10982; ORIGINAL_PRECURSOR_SCAN_NO 10981
Maprotiline
Maprotiline is a tetracyclic antidepressant with similar pharmacological properties to tricyclic antidepressants (TCAs). Similar to TCAs, maprotiline inhibits neuronal norepinephrine reuptake, possesses some anticholinergic activity, and does not affect monoamine oxidase activity. It differs from TCAs in that it does not appear to block serotonin reuptake. Maprotiline may be used to treat depressive affective disorders, including dysthymic disorder (depressive neurosis) and major depressive disorder. Maprotiline is effective at reducing symptoms of anxiety associated with depression. CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8225; ORIGINAL_PRECURSOR_SCAN_NO 8223 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8170; ORIGINAL_PRECURSOR_SCAN_NO 8168 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8212; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8185 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8231 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8247; ORIGINAL_PRECURSOR_SCAN_NO 8245 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3317 CONFIDENCE standard compound; INTERNAL_ID 2221 D049990 - Membrane Transport Modulators
N-Acetylprocainamide
N-Acetylprocainamide (NAPA or acecainide) is the N-acetylated metabolite of procainamide. It is a Class III antiarrhythmic agent, whereas procainamide is a Class Ia antiarrhythmic drug. It is only partially as active as procainamide; when checking levels both must be included in the final calculation. C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
Dinorcapsaicin
Constituent of red pepper (Capsicum annuum). Dinorcapsaicin is found in many foods, some of which are italian sweet red pepper, red bell pepper, green bell pepper, and orange bell pepper. Dinorcapsaicin is found in herbs and spices. Dinorcapsaicin is a constituent of red pepper (Capsicum annuum)
Lysylmethionine
Lysylmethionine is a dipeptide composed of lysine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Lysine
Methionyl-Lysine is a dipeptide composed of methionine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Arginylcysteine
Arginylcysteine is a dipeptide composed of arginine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Cysteinyl-Arginine
Cysteinyl-Arginine is a dipeptide composed of cysteine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
3'-Deaminofusarochromanone
3-Deaminofusarochromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
N-Desmethylterbinafine
N-Desmethylterbinafine is a metabolite of terbinafine. Terbinafine hydrochloride is a synthetic allylamine antifungal from Novartis. It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues. (Wikipedia)
(2R,3S)-3-(6-Amino-9H-purin-9-yl)nonan-2-ol
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
(2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
C17H27NO2 (277.20416819999997)
N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
1H-Indole-4,6-dicarboximidamide, 2-phenyl-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Ethylhexyl 4-(dimethylamino)benzoate
C17H27NO2 (277.20416819999997)
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
carboxy-ptio
2-N,N-Di-n-propylamino-4,7-dimethoxyindan
C17H27NO2 (277.20416819999997)
2-Methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile
Arginyl-Cysteine
venlafaxine
C17H27NO2 (277.20416819999997)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE standard compound; EAWAG_UCHEM_ID 645 D049990 - Membrane Transport Modulators
(7xi,8xi,9xi)-13,14,15,16-Tetrahydro-14-hydroxyeleocarpine
3alpha-Phenylacetoxy-6beta,7beta-dihydroxynortropane
N-(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N,N-dimethyliminoformamide
1-(4-Fluorophenyl)-2-(pyrrolidine-1-yl)heptane-1-one
Litracen
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent [Raw Data] CB199_Litracen_pos_50eV_CB000071.txt [Raw Data] CB199_Litracen_pos_40eV_CB000071.txt [Raw Data] CB199_Litracen_pos_30eV_CB000071.txt [Raw Data] CB199_Litracen_pos_20eV_CB000071.txt [Raw Data] CB199_Litracen_pos_10eV_CB000071.txt
MEX_278.1387_17.3
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 908 INTERNAL_ID 908; CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1)
(+)-1-[6-(beta-Hydroxy-phenaethyl)-1-methyl-[2]piperidyl]-propan-2-ol|(+)-1-[6-(beta-hydroxy-phenethyl)-1-methyl-[2]piperidyl]-propan-2-ol
C17H27NO2 (277.20416819999997)
(+)(Xi)-1-[(2Xi)-cis-6-((Xi)-beta-Hydroxy-phenaethyl)-[2]piperidyl]-butan-2-ol|(+)(Xi)-1-[(2Xi)-cis-6-((Xi)-beta-hydroxy-phenethyl)-[2]piperidyl]-butan-2-ol
C17H27NO2 (277.20416819999997)
(2E,4E)-N-phenethylundeca-2,4-dien-8,10-diynamide|2-Phenylethylamide-(2E,4E)-2,4-Undecadiene-8,10-diynoic acid
2-methoxy-4,5-methylenedioxy-trans-cinnamoylisobutylamide
6beta-benzoyloxytropan-3alpha,7beta-diol|6beta-Benzoyloxytropane-3alpha,7beta-diol
lycojapodine A
An alkaloid isolated from the club moss Lycopodium japonicum and has been shown to exhibit acetylcholinesterase inhibitory and anti-HIV-1 activity.
4-(5-amino-6-benzylpyrazin-2-yl)phenol
(+/-)-4-(2,3-Dihydroxy-3-methylbutoxy)-1-methyl-1H-quinolin-2-one|4-(2,3-Dihydroxy-3-methylbutoxy)-1-methyl-2(1H)-quinolinone|4-(2,3-dihydroxy-3-methylbutoxy)-1-methylquinolin-2(1H)-one
N-(2-Phenylethyl)-3,5-undecadiene-8,10-diynamide|undeca-3E,5E-dien-8,10-diynoic acid 2-phenylethylamide
1-(1,1-Dimethyl-2,3-dihydroxypropyl)-1H-indole-3-carboxylic acid methyl ester
8-methyl-pyridoxatin|8-methylpyridoxatin|cordypyridone A|cordypyridone B
1-oxo-8alpha-methoxy-10alphaH-eremophil-7(11)-en-8beta,12-lactam
4,5-Dihydro-Mantella Alkaloid 243D
C17H27NO2 (277.20416819999997)
amitriptyline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8144; ORIGINAL_PRECURSOR_SCAN_NO 8142 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8185 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8212; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8231 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8247; ORIGINAL_PRECURSOR_SCAN_NO 8245 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8225; ORIGINAL_PRECURSOR_SCAN_NO 8223 CONFIDENCE standard compound; INTERNAL_ID 1504 CONFIDENCE standard compound; INTERNAL_ID 8592 [Raw Data] CB205_Amitriptyline_pos_50eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_40eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_30eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_20eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_10eV_CB000074.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 2821
EDDP
CONFIDENCE standard compound; INTERNAL_ID 1615
venlafaxine
C17H27NO2 (277.20416819999997)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1)
C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)
maprotiline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2221
(5S,1R)-8-azabicyclo(3.2.1)oct-3-yl 4-hydroxy-3-methoxybenzoate
Origin: Plant; Formula(Parent): C15H19NO4; Bottle Name:Convolidine; PRIME Parent Name:Convolidine; PRIME in-house No.:V0341; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Padimate O
C17H27NO2 (277.20416819999997)
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10788; ORIGINAL_PRECURSOR_SCAN_NO 10787 CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10902; ORIGINAL_PRECURSOR_SCAN_NO 10901 CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10932; ORIGINAL_PRECURSOR_SCAN_NO 10927 CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10957; ORIGINAL_PRECURSOR_SCAN_NO 10956 CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10982; ORIGINAL_PRECURSOR_SCAN_NO 10981 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 10982; ORIGINAL_PRECURSOR_SCAN_NO 10981 CONFIDENCE standard compound; INTERNAL_ID 1017; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10805; ORIGINAL_PRECURSOR_SCAN_NO 10804 INTERNAL_ID 1017; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10805; ORIGINAL_PRECURSOR_SCAN_NO 10804
(5R,E)-6-((8S,Z)-8-hydroxy-8-methylhexahydroindolizin-6(5H)-ylidene)-2,5-dimethylhex-2-enal
C17H27NO2 (277.20416819999997)
Lys-met
A dipeptide formed from L-lysine and L-methionine residues.
Met-lys
A dipeptide formed from L-methionine and L-lysine residues.
3'-Deaminofusarochromanone
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
C14H20BNO4 (277.14853100000005)
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
2-CBZ-AMINO-4-METHYLPENT-2-ENOIC ACID METHYL ESTER
1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
TERT-BUTYL 4-(5-AMINOPYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid
Methyl (1S,2R,3S,4R)-3-[(4-fluorobenzyl)amino]bicyclo[2.2.1]hepta ne-2-carboxylate
(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate
(R)-3,4-DIHYDRO-2H-QUINOLINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
(R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
C14H20BNO4 (277.14853100000005)
U 99194
C17H27NO2 (277.20416819999997)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
2-[(1R)-1-[[(1R)-1-phenylethyl]amino]ethyl]phenol,hydrochloride
4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester
N-ISOBUTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
N-(2-methyl-5-phenylpyrrol-1-yl)pyridine-4-carboxamide
CIS-DIMETHYL 1-BENZYLPYRROLIDINE-3,4-DICARBOXYLATE
BENZYL-[1-(4-METHOXYPHENYL)ETHYL]AMINEHYDROCHLORIDE
(3R,4S)-4-Phenyl-3-[(Triethylsilyl)Oxy]-2-Azetidinone
N-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID
methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H20BNO4 (277.14853100000005)
ETHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISONICOTINATE
C14H20BNO4 (277.14853100000005)
(5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(h)-1,4-oxazin-2-one
trans-4-(carbobenzoxyamino)cyclohexanecarboxylic acid
2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
2-Boc-1,2,3,4-Tetrahydroisoquinoline-5-Carboxylic Acid
(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
1-(2-hydroxy-5-tert-nonylphenyl)ethan-1-one oxime
C17H27NO2 (277.20416819999997)
1-(2-chloro-1-adamantyl)-N-methylpropan-2-amine,hydrochloride
C14H25Cl2N (277.13639500000005)
tert-Butyl 4-((pyridin-2-yl)methyl)piperazine-1-carboxylate
2,3-dihydro-1h-indole-3-carboxylic acid methyl ester
benzyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
1-[(benzyloxy)carbonyl]-3-methylpiperidine-3-carboxylic acid
N-(TERT-BUTYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
N,N-DIETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
N-BUTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
(1s,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
3-{[(Benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid
(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid
(1r,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
tert-butyl 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate
(4s)-4-[(1r)-2-azido-1-(benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
methyl 4-(tert-butylcarbonylamino)cubanecarboxylate
3-(2,5-dimethylpyrrolidin-1-yl)propyl 2-hydroxybenzoate
2-(o-tolylaminomethylene)malonic acid diethyl ester
2-METHYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER
N-[6-(2,2-Dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide
tert-butyl 4-(3-aminophenyl)piperazine-1-carboxylate
TERT-BUTYL 4-(AZETIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
C12H24ClN3O2 (277.15569539999996)
2-Boc-1,2,3,4-Tetrahydroisoquinoline-8-Carboxylic Acid
4-(acetyloxy)-1-benzylpiperidine-4-carboxylic acid
1H-Benz[g]indole-3-carboxaldehyde,2-cyclohexyl-(9CI)
4-Fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
N,N-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
3-(4-TERT-BUTOXYPHENYL)-2-ISOCYANATOPROPIONICACIDMETHYLESTER
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate
Ethyl 3-((dimethylamino)methyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
2,2,6,6-TETRAMETHYL-1-(1-PHENYLETHOXY)-&
C17H27NO2 (277.20416819999997)
(5r)-n-(tert-butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(h)-1,4-oxazin-2-one
tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid(SALTDATA: FREE)
1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
C14H20BNO4 (277.14853100000005)
(S)-1-BOC-3,4-DIHYDRO-2H-QUINOLINE-2-CARBOXYLIC ACID
1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
(1S,2S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-phenylcyc lopropanecarboxylic acid
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
5-(Ethoxycarbonyl)pyridine-3-boronic acid pinacol ester
C14H20BNO4 (277.14853100000005)
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-1,3,3-trimethyl-
5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-y l]-2-pyrimidinamine
Methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
C14H20BNO4 (277.14853100000005)
6-METHYL-N-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethanol
prop-2-enamide,trimethyl-[3-(prop-2-enoylamino)propyl]azanium,chloride
C12H24ClN3O2 (277.15569539999996)
2-(p-tolylaminomethylene)malonic acid diethyl ester
tert-butyl 1-(5-aminopyridin-2-yl)piperidine-4-carboxylate
4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid ethyl ester
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid ethyl ester
(2R,3S)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid ethyl ester
Methyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
C14H20BNO4 (277.14853100000005)
3-(3-hydroxypropyl)-7,8-dimethoxy-1,3-dihydro-2H-benzo[d]azepin-2-one
1-[2-(azetidin-1-yl)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-[Hydroxy(polyethyleneoxy)propyl]heptamethyltrisiloxane
2-(tert-butoxycarbonylamino)-2,3-dihydro-1H-indene-2-carboxylic acid
4-HYDRAZINOCARBONYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid
2-methyl-propane-2-sulfinic acid [2-(tert-butyl-dimethyl-silanyloxy)-ethylidene]-amide
(1S,2S)-4-benzyl-2-(ethoxycarbonyl)cyclopentane-1-carboxylic aci
2-tert-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-ethyl-2-methoxy-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
N,N-diethyl-3-phenyl-1-trimethylsilyloxyprop-1-en-1-amine
C16H27NOSi (277.18618119999996)
4-(4-ACETYL-1-PIPERAZINYL)-3-AMINO-BENZOIC ACID METHYL ESTER
2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
4-Amino-3-methoxycarbonylphenylboronic acid pinacol ester
C14H20BNO4 (277.14853100000005)
3-(2-methylphenoxy)-3-phenylpropan-1-amine,hydrochloride
N-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C14H20BNO4 (277.14853100000005)
(4-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPROPYL)PHENYL)BORONIC ACID
C14H20BNO4 (277.14853100000005)
3-METHYL-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-INDAZOL-6-AMINE
(1S,2R)-1-(TERT-BUTOXYCARBONYLAMINO)-2-PHENYLCYCLOPROPANECARBOXYLIC ACID
1-(Benzyloxycarbonyl)-6-Methylpiperidine-3-Carboxylic Acid
4,6-Diamidino-2-phenylindole
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors
1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
C17H27NO2 (277.20416819999997)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
(E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
2-N,N-Di-n-propylamino-4,7-dimethoxyindan
C17H27NO2 (277.20416819999997)
Elliptinium
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents
(2R,3S)-3-(6-Amino-9H-purin-9-yl)nonan-2-ol
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
1-(Phenylmethyl)spiro[1,2-dihydroindene-3,4-piperidine]
5-Piperidinopyrazolo[1,5-a]quinazoline-3-carbonitrile
2-[3-(4-Methylphenyl)acryloyl]-1,2,3,4-tetrahydroisoquinoline
trans-Dimethyl 1-benzylpyrrolidine-3,4-dicarboxylate
(2E)-4-((1-(2,6-Dimethylphenoxy)-2-propanyl)amino)-4-oxo-2-butenoic acid
(Z)-2-[2-(4-Methylpiperazin-1-Yl)benzyl]diazenecarbothioamide
2-(2,6-Diaminohexanoylamino)-4-methylsulfanylbutanoic acid
gamma-Linolenate
A linolenate that is the conjugate base of gamma-linolenic acid, arising from deprotonation of the carboxylic acid group.
alpha-Linolenate
A linolenate that is the conjugate base of alpha-linolenic acid, arising from deprotonation of the carboxylic acid group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Crepenynate
A long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group.
(2R)-2-amino-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoic acid
(2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
C17H27NO2 (277.20416819999997)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
(6R,6As,8R,10S,10aR)-2-hydroxy-6,6a,8,10-tetramethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one
Thr-Ala-Ser
A tripeptide composed of L-threonine, L-alanine, and L-serine joined by peptide linkages.
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methyl-N-(2H3)methyl-1-propanamine
1-(4-{[(2-Hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium
methyl 1-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]indole-3-carboxylate
9,11,14-Octadecatrienoate
Any octadecatrienoate having double bonds at positions 9, 11 and 14.
9,11,15-Octadecatrienoate
Any octadecatrienoate having double bonds at positions 9, 11 and 15.
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-alaninamide
(3R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoate
(3R,5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoate
5-{[(2-Amino-6-isopropylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
(1R)-2-(2-Tetrahydropyranyloxy)-1-propionylaminoethylbenzene
6-ethyl-N-(2-methylbutyl)-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxamide
C17H27NO2 (277.20416819999997)
Acecainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
carboxy-ptio
A mmeber of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group.
Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-
Octadecatrienoate
A C18, straight-chain, unsaturated long-chain fatty acid anion and the conjugate base of its corresponding octadecatrienoic acid, formed by deprotonation of the carboxylic acid group.
16-methyl-5-oxa-7-azatetracyclo[5.4.3.3²,⁶.0¹,⁶]heptadecane-4,11-dione
(9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecan-13-one
C17H27NO2 (277.20416819999997)
(2e)-2-methyl-5-[(1s,3r,6s,9r)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]-4-oxopent-2-enimidic acid
(4s,6r,12s)-12-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
3-methyl-5-(2-{octahydro-1h-pyrrolo[1,2-a]azepin-9-yl}propyl)-5h-furan-2-one
C17H27NO2 (277.20416819999997)
3-hydroxy-6-(1h-indol-3-yloxy)-4-methylhexanoic acid
4-[6,7-dihydroxy-5-(hydroxymethyl)-hexahydro-1h-pyrrolizin-3-yl]butane-1,2,4-triol
4-[(2s)-2,3-dihydroxy-3-methylbutoxy]-1-methylquinolin-2-one
(4s,5r)-5-[(1z,3s)-3-hydroxybut-1-en-1-yl]-4-{[4-(hydroxymethyl)phenyl]amino}oxolan-2-one
(1r,6r)-1-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione
(2r)-1-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol
C17H27NO2 (277.20416819999997)
(1r,9s,11s,13s,14r)-4-hydroxy-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),5-dien-3-one
6-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-4-methoxy-5-methyl-3h-isoindol-1-ol
4-hydroxy-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),5-dien-3-one
(2s)-2-{[(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid
6-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-4-methoxy-5-methyl-3h-isoindol-1-ol
16625-37-9
C17H27NO2 (277.20416819999997)
{"Ingredient_id": "HBIN001772","Ingredient_name": "16625-37-9","Alias": "NA","Ingredient_formula": "C17H27NO2","Ingredient_Smile": "CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C","Ingredient_weight": "277.4","OB_score": "14.30935308","CAS_id": "16625-37-9","SymMap_id": "SMIT10566","TCMID_id": "NA","TCMSP_id": "MOL009437","TCM_ID_id": "NA","PubChem_id": "177761","DrugBank_id": "NA"}
8β-hydroxy phlegmariurine b
{"Ingredient_id": "HBIN013673","Ingredient_name": "8\u03b2-hydroxy phlegmariurine b","Alias": "NA","Ingredient_formula": "C16H23NO3","Ingredient_Smile": "CC1CC(=O)N2CCCC3=C(CCC2)C(=O)CC3C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10643","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5e)-5-ethylidene-4-hydroxy-1-methyl-3-[(6e)-2-methyloct-6-enoyl]pyrrol-2-one
(1s,3r,5s,8s,10s,16s)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.0¹,¹².0⁵,¹⁶.0⁸,¹⁶]heptadecan-7-one
11-hydroxy-17-oxa-6-azapentacyclo[13.2.1.0¹,⁶.0²,¹⁰.0²,¹³]octadecan-16-one
(2s)-1-(4-methoxy-1-methyl-2h-quinolin-3-yl)-3-methylbutane-2,3-diol
4-[(5r,6e)-5,7-dimethyl-4-oxonona-6,8-dien-1-yl]-6-hydroxy-4,5-dihydro-3h-pyridin-2-one
(1s,2s,4r,6s,9s,11s)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-14-en-8-one
5-(1-hydroxybut-2-en-1-yl)-4-{[4-(hydroxymethyl)phenyl]amino}oxolan-2-one
(4r,6r)-4-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
(4e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enimidic acid
(1s,2s,3s,8ar)-3-[(1e,3e)-4-cyclopropyl-2-methylbuta-1,3-dien-1-yl]-1-methyl-hexahydro-2h-indolizine-1,2-diol
C17H27NO2 (277.20416819999997)
(1s,4s,7s,8s,11r,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecane-3,9-dione
n-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enimidic acid
(2e)-n-[(2r)-2-(acetyloxy)-4-hydroxybutyl]-3-phenylprop-2-enimidic acid
(4ar,5r,8r,8ar)-5-isopropyl-8-isothiocyanato-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
4-[(3s,5r,6r,7s,7ar)-6,7-dihydroxy-5-(hydroxymethyl)-hexahydro-1h-pyrrolizin-3-yl]butane-1,2,4-triol
4,8-dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadec-2(7)-en-6-one
(2e,4z)-n-(2-phenylethyl)undeca-2,4-dien-8,10-diynimidic acid
methyl 1-(3,4-dihydroxy-2-methylbutan-2-yl)indole-3-carboxylate
(1s,3r,5s,8s,16s)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.0¹,¹².0⁵,¹⁶.0⁸,¹⁶]heptadecan-7-one
(1r,4r,8r,10s,17s)-4,8-dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadec-2(7)-en-6-one
(2r,4r)-4-[(3s,5r,6r,7s,7ar)-6,7-dihydroxy-5-(hydroxymethyl)-hexahydro-1h-pyrrolizin-3-yl]butane-1,2,4-triol
5,7-dimethyl-2,6-dioxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadec-3(8)-en-9-one
10-(2-aminoethyl)-8,14-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-12-ol
2-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-3,8-dione
5-hydroxy-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadec-3(8)-en-9-one
(1s,2s,4s,5r,6s,9s)-2,5-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-14-en-8-one
3-(2-ethenyl-2,4,6-trimethylcyclohexyl)-1,4-dihydroxypyridin-2-one
(6r,6as,8r,10s,10ar)-2-hydroxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
(1r,3s,5s,6s,7r)-6,7-dihydroxy-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate
1-(1-hydroxy-4-methoxy-3-methyl-5,6,7,8-tetrahydroisoquinolin-6-yl)pentan-1-one
(2e,4e)-n-(2-phenylethyl)undeca-2,4-dien-8,10-diynimidic acid
4-(2,3-dihydroxy-3-methylbutoxy)-1-methylquinolin-2-one
(4e)-n-(2-phenylethyl)undeca-2,4-dien-8,10-diynimidic acid
(1s,2r,4r,6s,8r)-2,8-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-9-en-5-one
10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecan-13-one
C17H27NO2 (277.20416819999997)
(1r,9r,10r,11s,14r,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecan-13-one
C17H27NO2 (277.20416819999997)
(7s,8r,10s,12s,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylic acid
n-(2-phenylethyl)undeca-2,4-dien-8,10-diynimidic acid
(6s,6ar,8r,10s,10ar)-2-methoxy-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
(1r,5r,7r,10r,11r)-5-hydroxy-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadec-3(8)-en-9-one
(2z,4e)-n-(2-phenylethyl)undeca-2,4-dien-8,10-diynimidic acid
4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-ol
(1s,2r,4s,6s)-2,4-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-9-en-8-one
8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.0¹,¹².0⁵,¹⁶.0⁸,¹⁶]heptadecan-7-one
(1r,5s,7s,10s,11s)-5-hydroxy-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadec-3(8)-en-9-one
(1s,2s,10r,11r,13s,15s)-11-hydroxy-17-oxa-6-azapentacyclo[13.2.1.0¹,⁶.0²,¹⁰.0²,¹³]octadecan-16-one
n-[2-(acetyloxy)-4-hydroxybutyl]-3-phenylprop-2-enimidic acid
1-(4-methoxy-1-methyl-2h-quinolin-3-yl)-3-methylbutane-2,3-diol
5-ethylidene-4-hydroxy-1-methyl-3-(2-methyloct-6-enoyl)pyrrol-2-one
5-[(2e)-1-hydroxybut-2-en-1-yl]-4-{[4-(hydroxymethyl)phenyl]amino}oxolan-2-one
(3e,5e)-n-(2-phenylethyl)undeca-3,5-dien-8,10-diynimidic acid
8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate
3-(4-cyclopropyl-2-methylbuta-1,3-dien-1-yl)-1-methyl-hexahydro-2h-indolizine-1,2-diol
C17H27NO2 (277.20416819999997)
(1s,4s,5s,6s,9s,16r)-5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one
(2s,4r,9as)-4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-ol
(5s)-5-[(2r)-2-[(9r,9as)-octahydro-1h-pyrrolo[1,2-a]azepin-9-yl]propyl]-3-methyl-5h-furan-2-one
C17H27NO2 (277.20416819999997)
3-[(1r,2s,4r,6s)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxypyridin-2-one
(1s,4s,8s,10r,17r)-4,8-dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadec-2(7)-en-6-one
4-[(2s,4e)-4-ethylidene-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxyphenol
(1s,2r,6r)-2-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-3,8-dione
(5z)-5-ethylidene-4-hydroxy-1-methyl-3-[(6e)-2-methyloct-6-enoyl]pyrrol-2-one
(1r,5r,7s,10s,11s)-5,7-dimethyl-2,6-dioxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadec-3(8)-en-9-one
(1s,3s,8s,9r,12s,14r,16s)-16-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.0¹,¹².0³,⁸]hexadecan-10-one
C17H27NO2 (277.20416819999997)
(1s,3s,5r,6r,8s)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]hexadecane-7,16-dione
8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]hexadecane-7,16-dione
(1r,3s,5s)-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate
(1s,4r,6s,9s,11s)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-14-en-8-one
(1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecan-13-one
C17H27NO2 (277.20416819999997)
(1s,3r,5s,8s,10r,16s)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.0¹,¹².0⁵,¹⁶.0⁸,¹⁶]heptadecan-7-one
5-[(1e)-3-hydroxybut-1-en-1-yl]-4-{[4-(hydroxymethyl)phenyl]amino}oxolan-2-one
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]propan-2-ol
C17H27NO2 (277.20416819999997)