Exact Mass: 249.1641172
Exact Mass Matches: 249.1641172
Found 489 metabolites which its exact mass value is equals to given mass value 249.1641172,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
2,4-Dodecadienoic acid pyrrolidide
2,4-Dodecadienoic acid pyrrolidide is found in herbs and spices. 2,4-Dodecadienoic acid pyrrolidide is a constituent of pepper (Piper nigrum) (Piperaceae). Constituent of pepper (Piper nigrum) (Piperaceae). 2,4-Dodecadienoic acid pyrrolidide is found in herbs and spices and pepper (spice).
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
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
(1alpha,2beta,4aalpha,8aalpha)-N-[Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-formamide
Axamide 1
N,N-Didesmethylvenlafaxine
A monomethoxybenzene that is the N,N-didesmethyl derivative of venlafaxine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2658
1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid
C14H16FNO2 (249.11650079999998)
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.
N-(3,7,11-trimethyldodeca-2,6,10-trienyl)formamide
(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
C11H15N5O2 (249.12256900000003)
(-)-Isocastoramin|(-)-isocastoramine|(9aS)-6t-furan-3-yl-3t,9c-dimethyl-(9ar)-octahydro-quinolizin-2t-ol|Isocastoramine
11-formamido-7beta-H-eudesm-5-ene|11-formamido-7betaH-eudesm-5-ene
2-(hept-5-enyl)-3-methyl-4-oxo-6,7,8,8a-tetrahydro-4h-pyrrolo[2,1-b]-1,3-oxazine
rel-7-formamido-7,8-dihydro-alpha-bisabolane|rel-N-{(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-hept-5-en-2-yl}formamide
4-(6-furan-3-yl-3-methyl-piperidin-2-yl)-2-methyl-but-2-en-1-ol|Nuphamin|Nuphamine
N-(2-Isopropyl-3a,5-dimethyl-1,4-methanohydrindane-5-yl)formamide
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
C14H19NOS (249.11872839999998)
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
C14H19NOS (249.11872839999998)
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
(2S,3S,7S,10S)-3,7,10-trimethyldodecahydrocyclopenta[b]quinolizine-2-carbaldehyde
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
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
1-(4-METHOXY-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
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
C14H23N3O (249.18410279999998)
2-methoxy-4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
C14H23N3O (249.18410279999998)
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
C13H20BNO3 (249.15361600000003)
6-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
2-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C13H20BNO3 (249.15361600000003)
[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
C13H20BNO3 (249.15361600000003)
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C13H20BNO3 (249.15361600000003)
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
N-(3-Trimethoxysilylpropyl)Morpholine
C10H23NO4Si (249.13962779999997)
6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Ciramadol
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
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
(S)-2-METHYLPIPERIDINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
(3-(DIISOPROPYLCARBAMOYL)PHENYL)BORONIC ACID
C13H20BNO3 (249.15361600000003)
tert-Butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate
C11H23NO5 (249.15761479999998)
(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
4-Hydrazino-piperidine-1-carboxylic acid benzyl ester
3-[(4-fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane
3-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-, methyl ester
2-Ethoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
C13H20BNO3 (249.15361600000003)
2-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
C13H20BNO3 (249.15361600000003)
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
C12H20BN3O2 (249.16484900000003)
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
C13H19NO2Si (249.11849940000002)
4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
1,4,7,10,13-PENTAOXACYCLOPENTADECANE-2-METHANAMINE
C11H23NO5 (249.15761479999998)
1-Piperazineacetic acid, 4-(2-pyridinyl)-, ethyl ester
POLYHEXAMETHYLENEGUANIDINEHYDROCHLORIDE
C10H24ClN5 (249.17201339999997)
3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
C14H23N3O (249.18410279999998)
3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid
ethyl 1-(6-methylpyrazin-2-yl)piperidine-4-carboxylate
2-(DIISOPROPYLCARBANOYL) PHENYLBORONIC ACID
C13H20BNO3 (249.15361600000003)
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-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
C13H20BNO3 (249.15361600000003)
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one
C13H16FN3O (249.12773379999996)
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
tert-Butyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamat
6-Ethoxypyridine-2-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
5-Ethoxypyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
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
C13H20BNO3 (249.15361600000003)
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
C12H20BN3O2 (249.16484900000003)
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
C12H20BN3O2 (249.16484900000003)
N-(2-Aminoethyl)-N-[3-(dimethoxymethylsilyl)propyl]-1,2-ethanediamine
(4-(Dipropylcarbamoyl)phenyl)boronic acid
C13H20BNO3 (249.15361600000003)
[(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
C14H23N3O (249.18410279999998)
5-(Methoxymethyl)pyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
(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-(DIPROPYLCARBAMOYL)PHENYL)BORONIC ACID
C13H20BNO3 (249.15361600000003)
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
C14H19NOS (249.11872839999998)
(1S)-2-[(2S,5R)-2-(Aminomethyl)-5-ethynylpyrrolidin-1-YL]-1-cyclopentyl-2-oxoethanamine
C14H23N3O (249.18410279999998)
(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
C16H25O2- (249.18544500000002)
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.
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.
1-Azepanyl-(4-methoxyphenyl)methanethione
C14H19NOS (249.11872839999998)
[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
C13H19N3S (249.12996139999998)
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
C10H20ClN3O2 (249.12439700000002)
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
1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
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-[(1as,4s,4as,7s,7ar,7br)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic acid
n-{2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl}guanidine
C11H15N5O2 (249.12256900000003)
(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
n-[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carboximidic acid
(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-{1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4a-yl}carboximidic acid
n-{1-methyl-4-[(2e,4e)-6-methylhepta-2,4-dien-2-yl]cyclohexyl}carboximidic acid
n-[(2s)-1-methoxy-4-methyl-1-oxopentan-2-yl]benzenecarboximidic acid
n-[(1as,4r,4as,7s,7ar,7br)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic 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"}
(1r,2r,10s,13r,14s,15r)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-14-ol
(2e)-4-[(2r,3r,6r)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbut-2-en-1-ol
n-{2-[(2s,4ar,8s)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]propan-2-yl}carboximidic acid
(1r,2r,10s,11r,13s,15r)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-ol
n-[(1s,2s,3s,5s,6r,7r)-5-isopropyl-1,3-dimethyltricyclo[4.3.1.0³,⁷]decan-2-yl]carboximidic acid
3-hydroxy-2-methyl-2-[(1,3,4-trihydroxy-2-methylpentylidene)amino]propanoic acid
1-(4-hydroxy-3-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)ethanone
(2e,4e,8z)-n-(2-methylpropyl)dodeca-2,4,8-trienimidic acid
(2e,4e)-n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
1-(4-hydroxy-3-methoxyphenyl)-2-[(2r)-piperidin-2-yl]ethanone
(2e,4e)-1-[(4s)-4-hydroxy-3,4-dihydro-2h-pyridin-1-yl]deca-2,4-dien-1-one
n-[(1s,2r,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carboximidic acid
n-[(1s,2r,3r,5s,6r,8r)-5-isopropyl-2,8-dimethyltricyclo[4.3.1.0³,⁸]decan-2-yl]carboximidic acid
2-amino-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid
6-{[(2r,3e)-5-hydroxy-4-methylpent-3-en-2-yl]imino}-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)
4-[6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbut-2-en-1-ol
n-[(1s)-1-[(1s,3as,7as)-3a-methyl-7-methylidene-hexahydro-1h-inden-1-yl]-2-methylpropyl]carboximidic acid
n-[(1s,4s)-1-methyl-4-[(2e,4e)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]carboximidic acid
n-[(2s,5s,10s)-7-isopropyl-2,10-dimethylspiro[4.5]dec-6-en-2-yl]carboximidic acid
n-[1-(3a-methyl-7-methylidene-hexahydro-1h-inden-1-yl)-2-methylpropyl]carboximidic acid
3-hydroxy-2-methyl-2-[(1,2,4-trihydroxy-3-methylpentylidene)amino]propanoic acid
n-[(1as,4s,4as,7s,7ar,7bs)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4a-yl]carboximidic acid
n-[(2r,5r,10s)-7-isopropyl-2,10-dimethylspiro[4.5]dec-6-en-2-yl]carboximidic acid
15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-ol
15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-14-ol
(1s,4s,7s,8r,11s,12r,13s)-13-isopropyl-12-methyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one
n-[(1ar,4r,4as,7r,7as,7bs)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic acid
5-methoxy-6',7',8',8'a-tetrahydro-1'h-spiro[cyclohexane-1,5'-pyrano[4,3-c]pyridin]-3-en-3'-one
1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
(1s,2r,8s,9s)-9-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadec-11-en-13-one
n-[(1s,2s,4ar,8r,8as)-4a,8-dimethyl-2-(prop-1-en-2-yl)-octahydro-1h-naphthalen-1-yl]carboximidic acid
(8as)-2-[(5e)-hept-5-en-1-yl]-3-methyl-6h,7h,8h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one
n-[1,4a-dimethyl-8-(prop-1-en-2-yl)-octahydronaphthalen-1-yl]carboximidic acid
n-[(1r,2s,4ar,8ar)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carboximidic acid
n-[(1as,3ar,7r,7ar,7bs)-1,1,3a,7-tetramethyl-octahydrocyclopropa[a]naphthalen-7-yl]carboximidic acid
n-[(3r,6r)-2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl]guanidine
C11H15N5O2 (249.12256900000003)
2-(hept-5-en-1-yl)-3-methyl-6h,7h,8h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one
2-(hept-5-en-1-yl)-3-methyl-4ah,5h,6h,7h,7ah-pyrano[2,3-b]pyrrol-4-one
1-(4-hydroxy-3-methoxyphenyl)-2-[(2s)-piperidin-2-yl]ethanone
(8e)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
n-[2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl)propan-2-yl]carboximidic acid
1-(4-hydroxy-3,4-dihydro-2h-pyridin-1-yl)deca-2,4-dien-1-one
n-(1-methoxy-4-methyl-1-oxopentan-2-yl)benzenecarboximidic acid
n-[(5s,6r,7s,10r)-7-isopropyl-2,10-dimethylspiro[4.5]dec-1-en-6-yl]carboximidic acid
n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
(2s)-3-hydroxy-2-methyl-2-{[(2r,3r,4r)-1,2,4-trihydroxy-3-methylpentylidene]amino}propanoic acid
1-(4-hydroxy-3-methoxyphenyl)-2-[(2s)-1-methylpyrrolidin-2-yl]ethanone
n-[(1s,2r,5s,6s,8r,9s)-9-isopropyl-1,5-dimethyltricyclo[4.4.0.0²,⁸]decan-5-yl]carboximidic acid
n-{1,1,3a,7-tetramethyl-octahydrocyclopropa[a]naphthalen-7-yl}carboximidic acid
n-[(1ar,4r,4ar,7r,7ar,7bs)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic acid
n-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanimidic acid
(2e)-4-[(2s,3r,6s)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbut-2-en-1-ol
10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-12-one
(1s,2s,10r,11r,13r,15s)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-ol
6-(furan-3-yl)-3,9-dimethyl-octahydroquinolizin-3-ol
n-[(1r,4as,8s,8ar)-1,4a-dimethyl-8-(prop-1-en-2-yl)-octahydronaphthalen-1-yl]carboximidic acid
(3r,6s,9r,9as)-6-(furan-3-yl)-3,9-dimethyl-octahydroquinolizin-3-ol
(1r,2r,4as,8ar)-2-isopropyl-1-isothiocyanato-8-methylidene-octahydro-1h-naphthalene
n-[4a,8-dimethyl-2-(prop-1-en-2-yl)-octahydro-1h-naphthalen-1-yl]carboximidic acid
4-(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butanimidamide
n-{7-isopropyl-2,10-dimethylspiro[4.5]dec-1-en-6-yl}carboximidic acid
n-{7-isopropyl-2,10-dimethylspiro[4.5]dec-6-en-2-yl}carboximidic acid
6-[(5-hydroxy-4-methylpent-3-en-2-yl)imino]-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)