Exact Mass: 249.1517
Exact Mass Matches: 249.1517
Found 468 metabolites which its exact mass value is equals to given mass value 249.1517,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Alprenolol
Alprenolol is only found in individuals that have used or taken this drug. It is one of the adrenergic beta-antagonists used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. [PubChem]Alprenolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. Also, with a more minor effect, by binding beta-2 receptors in the juxtaglomerular apparatus, alprenolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
O-Desmethyltramadol
O-Desmethyltramadol is a metabolite of tramadol. O-Desmethyltramadol (O-DSMT) is an opioid analgesic and the main active metabolite of tramadol. (+)-O-Desmethyltramadol is the most important metabolite of tramadol produced in the liver after tramadol is consumed. This metabolite is considerably more potent as a μ-opioid agonist than the parent compound (Wikipedia). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
N-Desmethyltramadol
N-Desmethyltramadol is a metabolite of tramadol. Tramadol hydrochloride (trademarked as Conzip, Ryzolt, Ultracet, Ultram in the USA; Ralivia and Zytram XL in Canada) is a centrally-acting synthetic analgesic used to treat moderate to moderately-severe pain. The drug has a wide range of applications, including treatment of rheumatoid arthritis, restless legs syndrome, and fibromyalgia. It was launched and marketed as Tramal by the German pharmaceutical company Grnenthal GmbH in 1977 (Wikipedia).
N,O-Didesmethylvenlafaxine
N,O-Didesmethylvenlafaxine is a metabolite of venlafaxine (brand name: Effexor or Efexor). Venlafaxine 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 neurotransmitters in the synapse.
Lansiumamide A
Lansiumamide A is found in fruits. Lansiumamide A is isolated from seeds of Clausena lansium (wampee). Isolated from seeds of Clausena lansium (wampee). Lansiumamide A is found in fruits.
Lysylcysteine
Lysylcysteine is a dipeptide composed of lysine and cysteine. 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.
Cysteinyl-Lysine
Cysteinyl-Lysine is a dipeptide composed of cysteine 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.
Epinastine
Epinastine is used for the prevention of itching associated with allergic conjunctivitis. It has a multi-action effect that inhibits the allergic response in 3 ways: 1. stabilizes mast cells by preventing mast cell degranulation to control the allergic response, 2. prevents histamine binding to both the H1- and H2-receptors to stop itching and provide lasting protection, and 3. prevents the release of proinflammatory chemical mediators from the blood vessel to halt progression of the allergic response. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Epinastine (WAL801) is an antihistamine and mast cell stabilizer. Epinastine is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine also inhibits IL-8 release and has an antiallergic action[1][2][3][4].
Melatonin radical
This compound belongs to the family of Indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
Desmethylnortriptyline
Desmethylnortriptyline is a metabolite of Amitriptyline. Amitriptyline, nortriptyline and their metabolites, desmethylnortriptyline, cis and trans 10-hydroxyamitriptyline, cis and trans 10-hydroxynortriptyline and amitriptyline-N-oxide, have been tested for inhibitory effect on the uptake of serotonin. All the metabolites are less anticholinergic than amitriptyline and nortriptyline. (PMID: 7395525)
2-Pentanamido-3-phenylpropanoic acid
2-pentanamido-3-phenylpropanoic acid is classified as a phenylalanine or a Phenylalanine derivative. Phenylalanines are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-pentanamido-3-phenylpropanoic acid is considered to be a practically insoluble (in water) and a weak acidic compound. 2-pentanamido-3-phenylpropanoic acid can be found in feces.
(4Ar,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
Acetophenone, 4'-hydroxy-3'-methoxy-2-(2-piperidyl)-
Amidantel
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(S)-(4-Hydroxy-phenyl)-(S)-piperidin-2-yl-acetic acid methyl ester; hydrochloride
O-Demethyltramadol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Tenocyclidine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents
thienylcyclohexylpiperidine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
N,N-Didesmethylvenlafaxine
A monomethoxybenzene that is the N,N-didesmethyl derivative of venlafaxine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2658
TENOCYCLIDINE
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents
hexahomomethionine S-oxide
A sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine.
(1S,4S,7S,8R,11R,12R,13S)-13-isopropyl-12-methyl-10-oxa-2-azatetracyclo<5.4.1.1.8,11.04,12>tridecan-9-one|14-Nor-dendroban-12-on|14-nor-dendroban-12-one|mubironine B|Nordendrobin
(+/-)-2-hydroxy-1-methyl-trans-zeatin|2-hydroxy-1-methylzeatin|2-hydroy-1-methylzeatin
(-)-Isocastoramin|(-)-isocastoramine|(9aS)-6t-furan-3-yl-3t,9c-dimethyl-(9ar)-octahydro-quinolizin-2t-ol|Isocastoramine
2-(hept-5-enyl)-3-methyl-4-oxo-6,7,8,8a-tetrahydro-4h-pyrrolo[2,1-b]-1,3-oxazine
4-(6-furan-3-yl-3-methyl-piperidin-2-yl)-2-methyl-but-2-en-1-ol|Nuphamin|Nuphamine
N-[2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
(2E,4E)-2,4-Decadiensaeure-(4-hydroxy-2,3-didehydropiperidid)|(2E,4E)-2,4-Decadiensaeure-<4-hydroxy-2,3-didehydropiperidid>
(1R)-5c-methoxy-(1rN,5rC2,8at)-6,7,8,8a-tetrahydro-1H-spiro[cyclohex-3-ene-1,5-pyrano[4,3-c]pyridin]-3-one
N-hydroxyhexahomomethionine
An N-hydroxy-alpha-amino acid having a 9-thiadecyl substituent at the 2-position.
N,N-Didesvenlafaxine
CONFIDENCE standard compound; INTERNAL_ID 2016
N,O-Didesmethylvenlafaxine
A secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2657
2-amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
NVE_250.1804_10.8
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1201
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
4-Aminoantipyrine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 2270
O-Desmethyl tramadol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 2287
alprenolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Triallyl cyanurate
CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9253 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9282; ORIGINAL_PRECURSOR_SCAN_NO 9280 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9316 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9324
Epinastine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Epinastine (WAL801) is an antihistamine and mast cell stabilizer. Epinastine is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine also inhibits IL-8 release and has an antiallergic action[1][2][3][4].
5-Butyl-4-hydroxy-3-methyl-6-(3-methyl-2-buten-1-yl)-2(1H)-pyridinone
(3-Amino-benzo[d]isoxazol-4-yl)-carbamic acid tert-butyl ester
Butanoic acid, 3-oxo-,2-[methyl(phenylmethyl)amino]ethyl ester
1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[3-(dimethoxymethylsilyl)propyl]
3-BENZYL-2,3,4,5-TETRAHYDRO-1H-1,5-METHANOBENZO[D]AZEPINE
(2S)-2-[(1,1-dioxothiolan-3-yl)amino]-4-methylpentanoic acid
1-(4-METHOXY-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]ethanone
4-Hydroxy-4-methylpiperidine-1-carboxylic acid benzyl ester
2,6-DIFLUORO-4-(TRANS-4-ETHYLCYCLOHEXYL)-BENZONITRILE
(S)-(-)-1-(2-METHOXYBENZOYL)-2-(METHOXYMETHYL)PYRROLIDINE
1-(4-amino-5-Methoxy-2-Methylphenyl)-N,N-dimethylpiperidin-4-amine
2-methoxy-4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
1-[2-AMINO-1-(2-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(4-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
2-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE,
3-HYDROXY-3-PHENYLAZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-Methoxy-2-methylpyridine-3-boronic acid pinacol ester
6-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
2-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]methanol
6-amino-6-methylcyclohexa-1,3-dien-1-ol,formaldehyde,phenol
2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
8-hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate
(6-(4-ACETYLPIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID
ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
(S)-2-METHYLPIPERIDINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
tert-Butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate
(2-oxo-2-p-tolyl-ethyl)-carbamic acid tert-butyl ester
benzoctamine
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BD - Dibenzo-bicyclo-octadiene derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-[2-AMINO-1-(3-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
Mabuprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(4-(((TETRAHYDROFURAN-2-YL)METHYL)CARBAMOYL)PHENYL)BORONIC ACID
1-(tetrahydro-2H-pyran-4-yl)-4-piperidinecarboxylic acid(SALTDATA: HCl)
1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
9,10-DIHYDRO-4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHEN-4-ONE
4-Hydrazino-piperidine-1-carboxylic acid benzyl ester
3-[(4-fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane
PIPERIDINE-3-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
3-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-, methyl ester
2-Ethoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
2-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
Benzeneacetonitrile,3,4,5-trimethoxy-a-(1-methylethyl)-
tert-butyl3-amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
N-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
tert-butyl 4-(furan-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
(+)-ethyl (s)-2-amino-4-cyclohexylbutyrate hydrochloride
3-DIMETHOXYMETHYL-5-TRIMETHYLSILANYLETHYNYL-PYRIDINE
tert-Butyl 1-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-3(2H)-carboxylate
4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
1,4,7,10,13-PENTAOXACYCLOPENTADECANE-2-METHANAMINE
1-Piperazineacetic acid, 4-(2-pyridinyl)-, ethyl ester
PIPERIDINE-3-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid
ethyl 1-(6-methylpyrazin-2-yl)piperidine-4-carboxylate
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(1-methylethyl)- (9CI)
1-(6-AMINO-5-METHOXYINDOLIN-1-YL)-2-(DIMETHYLAMINO)ETHANONE
tert-butyl N-[(4-formylphenyl)methyl]-N-methylcarbamate
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
tert-Butyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamat
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
2-Methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
2-[bis(2-hydroxyethyl)amino]ethanol,oxolane-2,5-dione
tert-butyl 7-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
TERT-BUTYL 2-(HYDROXYMETHYL)-1-INDOLINECARBOXYLATE
4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
4-(2-cyclopropyl-4-ethylpyrimidin-5-yl)benzonitrile
TERT-BUTYL (3-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)CARBAMATE
ethyl 6-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
ethyl 4-acetyl-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
(2S,5R)-5-(benzyloxyamino)-piperidine-2-carboxylic acid amide
(4,4-difluorocyclohexylmethyl)carbamic acid tert-butyl ester
N,N-diMethyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidin-4-aMine
N-(2-Aminoethyl)-N-[3-(dimethoxymethylsilyl)propyl]-1,2-ethanediamine
[(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester
TERT-BUTYL 5-HYDROXY-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
TERT-BUTYL 7-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
2-Methyl-2-Propanyl 5-Hydroxy-3,4-Dihydro-2(1H)-Isoquinolinecarboxylate
4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBALDEHYDE
(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)methanamine
5-(Methoxymethyl)pyridine-3-boronic acid pinacol ester
(4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine
6-Hydroxy-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
3-(4-Diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid
5-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-(4-morpholinyl)-
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
A member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 9-methyl-8,10-dioxodec-2-en-10-yl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity.
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
(1S)-2-[(2S,5R)-2-(Aminomethyl)-5-ethynylpyrrolidin-1-YL]-1-cyclopentyl-2-oxoethanamine
(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)benzyl)guanidine
trans-4-[Dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
2-Amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
1-Deoxy-11beta-hydroxypentalenate
A hydroxy monocarboxylic acid anion that is the conjugate base of 1-deoxy-11beta-hydroxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
8beta-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
6alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
8alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-4-hydroxycyclohex-1-ene-1-carboxylic acid
(2S)-2-azaniumyl-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propanoate
(7Z,10Z,13Z)-hexadecatrienoate
A hexadecatrienoate that is the conjugate base of (7Z,10Z,13Z)-hexadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2R)-2-(Acetylamino)-3-(1,1-dimethyl-3-hydroxypropylthio)propionic acid
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
(1S,2R,5R,9R)-9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylate
(2S)-2-(hydroxyamino)-10-(methylsulfanyl)decanoic acid
(2S,3S,4S,5R)-5-(hydroxymethyl)-2-(morpholin-4-ylmethyl)oxolane-2,3,4-triol
Lupanine(1+)
An organic cation that is the conjugate acid of lupanine, arising from protonation of the tertiary amino function; major species at pH 7.3.
N-[2-(4-hydroxyphenyl)-2-oxoethyl]hexanamide
A natural product found in Cystobacter ferrugineus.
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
A natural product found in Cystobacter ferrugineus.
Pentalenate
A hydroxy monocarboxylic acid anion that is the conjugate base of pentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
[2-(2,6-Dimethylanilino)-2-oxoethyl]-diethyl-methylammonium
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2-dimethylpropanamide
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one
(3Z)-9-methyldec-3-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3S,4E)-3-methyldec-4-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii.
N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine
[2-Chloroethyl-[(4-methylcyclohexyl)carbamoyl]amino]-oxidoazanium
6-[(Z)-hydroxyiminomethyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
1-Benzyl-2,2,5,5-tetramethyl-2,5-disilapyrrolidine
(E)-N-Trimethylsilyloxy-1-(4-methylphenyl)propanimine
3-(1-Methyl-2-pyrrolidinyl)-2-pyridinylamine, TMS derivative
(Z)-N-Trimethylsilyloxy-1-(4-methylphenyl)propanimine
Hexadecatrienoate
A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of any hexadecatrienoic acid; major species at pH 7.3.
ethyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide having ethyl as the anomeric substituent.
n-{2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl}guanidine
(1s,2s,8s,9s)-9-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadec-11-en-13-one
(2e,4e)-1-(piperidin-1-yl)deca-2,4-diene-1,6-dione
n-[2-(4-hydroxyphenyl)-2-oxoethyl]hexanimidic acid
(4ar,7ar)-2-[(5e)-hept-5-en-1-yl]-3-methyl-4ah,5h,6h,7h,7ah-pyrano[2,3-b]pyrrol-4-one
(z,2e)-3-phenyl-n-[(1z)-2-phenylethenyl]prop-2-enimidic acid
(1r,5r,8'as)-5-methoxy-6',7',8',8'a-tetrahydro-1'h-spiro[cyclohexane-1,5'-pyrano[4,3-c]pyridin]-3-en-3'-one
n-[(2s)-1-methoxy-4-methyl-1-oxopentan-2-yl]benzenecarboximidic acid
(9s)-8-ethyl-4-methoxy-9-methyl-2h,6h,7h,9h-[1,3]dioxolo[4,5-h]isoquinoline
4-[(1s)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]butanimidamide
1-(1,6-dioxo-2e,4 e-decadienyl)piperidine
{"Ingredient_id": "HBIN000325","Ingredient_name": "1-(1,6-dioxo-2e,4 e-decadienyl)piperidine","Alias": "NA","Ingredient_formula": "C15H23NO2","Ingredient_Smile": "CCCCC(=O)C=CC=CC(=O)N1CCCCC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15189","TCMID_id": "6464","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
