Exact Mass: 206.1266508
Exact Mass Matches: 206.1266508
Found 500 metabolites which its exact mass value is equals to given mass value 206.1266508,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
tolkan
CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8628; ORIGINAL_PRECURSOR_SCAN_NO 8626 CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8663; ORIGINAL_PRECURSOR_SCAN_NO 8661 CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8683; ORIGINAL_PRECURSOR_SCAN_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8581; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8616; ORIGINAL_PRECURSOR_SCAN_NO 8615 CONFIDENCE standard compound; INTERNAL_ID 33; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8680; ORIGINAL_PRECURSOR_SCAN_NO 8678 EAWAG_UCHEM_ID 286; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 286 CONFIDENCE standard compound; INTERNAL_ID 3518 CONFIDENCE standard compound; INTERNAL_ID 4005 CONFIDENCE standard compound; INTERNAL_ID 8381 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Phenylethylmalonamide
CONFIDENCE standard compound; INTERNAL_ID 2499
Monoethylglycinexylidide
Monoethylglycinexylidide, also known as norlidocaine or MEGX, belongs to the class of organic compounds known as alpha-amino acid amides. These are amide derivatives of alpha-amino acids. Monoethylglycinexylidide is a very strong basic compound (based on its pKa). Monoethylglycinexylidide is a metabolite of lidocaine, also known as lignocaine. Lidocaine (trade name: Xylocaine) is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning, and pain from skin inflammations, is injected as a dental anesthetic, or is injected as a local anesthetic for minor surgery (Wikipedia). Monoethylglycinexylidide and formaldehyde can be biosynthesized from lidocaine via the enzymes cytochrome P450 1A2 and cytochrome P450 3A4. CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 802 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3471 CONFIDENCE standard compound; INTERNAL_ID 2113
Ibuprofen
Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) widely marketed under various trademarks including Act-3, Advil, Brufen, Motrin, Nuprin, and Nurofen. It is used for relief of symptoms of arthritis, primary dysmenorrhoea, and fever; Ibuprofen is an NSAID which is believed to work through inhibition of cyclooxygenase (COX), thus inhibiting prostaglandin synthesis. There are at least 2 variations of cyclooxygenase (COX-1 and COX-2), ibuprofen inhibits both COX-1 and COX-2. It appears that its analgesic, antipyretic, and anti-inflammatory activity are achieved principally through COX-2 inhibition; whereas COX-1 inhibition is responsible for its unwanted effects on platelet aggregation and the GI mucosa. As with other NSAIDs, ibuprofen inhibits platelet aggregation, but is not used therapeutically for this action since it is a minor and reversible effect. -- Wikipedia [HMDB] Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) widely marketed under various trademarks including Act-3, Advil, Brufen, Motrin, Nuprin, and Nurofen. It is used for relief of symptoms of arthritis, primary dysmenorrhoea, and fever; Ibuprofen is an NSAID which is believed to work through inhibition of cyclooxygenase (COX), thus inhibiting prostaglandin synthesis. There are at least 2 variations of cyclooxygenase (COX-1 and COX-2), ibuprofen inhibits both COX-1 and COX-2. It appears that its analgesic, antipyretic, and anti-inflammatory activity are achieved principally through COX-2 inhibition; whereas COX-1 inhibition is responsible for its unwanted effects on platelet aggregation and the GI mucosa. As with other NSAIDs, ibuprofen inhibits platelet aggregation, but is not used therapeutically for this action since it is a minor and reversible effect. -- Wikipedia. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Oxotremorine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
Ethyl trans-p-methoxycinnamate
Ethyl trans-p-methoxycinnamate is found in fats and oils. Ethyl trans-p-methoxycinnamate is a major constituent of oil of Kaempferia galanga (galangal (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].
Pheneturide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Same as: D01190
Aceteugenol
Aceteugenol, also known as eugenol acetate, belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Aceteugenol is an extremely weak basic (essentially neutral) compound (based on its pKa). Aceteugenol is a sweet-, carnation-, and clove-tasting compound. Outside of the human body, aceteugenol is found, on average, in the highest concentration in a few different foods, such as cloves, Ceylon cinnamons, and sweet bay. Aceteugenol has also been detected, but not quantified in, several different foods, such as nutmegs, herbs and spices, cumins, star anises, and lemon balms. This could make aceteugenol a potential biomarker for the consumption of these foods. Aceteugenol is a flavouring agent found in Caraway, oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum), and other essential oils. Flavouring agent. Found in oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum) and other essential oils Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata. Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata.
2-(3-Pentylphenyl)acetic acid
C78273 - Agent Affecting Respiratory System
Isoeugenyl acetate
Isoeugenol acetate is a phenylpropanoid that is the acetate ester of trans-isoeugenol. It is a phenylpropanoid, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a trans-isoeugenol. Isoeugenyl acetate is a natural product found in Valeriana officinalis with data available. Isoeugenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2]. Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].
Amyl phenylacetate
Amyl phenylacetate is a flavouring ingredient. Flavouring ingredient
(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol
(2RS,5SR)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol is found in herbs and spices. (2RS,5SR)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol is a constituent of Cinnamomum cassia (Chinese cinnamon)
3-Acetoxy-3-methyl-1-phenylbutane
3-Acetoxy-3-methyl-1-phenylbutane is a flavouring ingredien Flavouring ingredient
2-Phenylethyl 3-methylbutanoate
2-Phenylethyl 3-methylbutanoate is found in alcoholic beverages. 2-Phenylethyl 3-methylbutanoate is a food flavour. 2-Phenylethyl 3-methylbutanoate is found in mint oils, alcoholic beverages and other source Food flavour. Found in mint oils, alcoholic beverages and other sources
10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al
10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al is found in green vegetables. 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al is a constituent of Petasites japonicus ssp. giganteus (Japanese butterbur). Constituent of Petasites japonicus sspecies giganteus (Japanese butterbur). 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al is found in green vegetables.
Hexyl benzoate
Present in fruits of apricot, lingonberry, cowberry, feijoa, peach, sapodilla and other fruitsand is) also present in Parmesan cheese, butter and black tea. Flavouring ingredient. Hexyl benzoate is found in tea, milk and milk products, and fruits. Hexyl benzoate is found in fruits. Hexyl benzoate is present in fruits of apricot, lingonberry, cowberry, feijoa, peach, sapodilla and other fruits. Also present in Parmesan cheese, butter and black tea. Hexyl benzoate is a flavouring ingredient.
2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one
2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms. 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from the mushroom Lentinus crinitus (palatability not certain). Isolated from the mushroom Lentinus crinitus (palatability not certain). 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms.
Eremopetasinorone A
Eremopetasinorone B is found in green vegetables. Eremopetasinorone B is a constituent of Petasites japonicus (sweet coltsfoot)
Verimol I
Verimol I is found in fruits. Verimol I is a constituent of Illicium verum (Chinese staranise) Constituent of Illicium verum (Chinese staranise). Verimol I is found in fruits.
Cuelure
Cuelure is a flavour ingredient. Flavour ingredient
Etrogol
Isolated from the roots of Citrus subspecies Etrogol is found in sweet orange and citrus. Etrogol is found in citrus. Etrogol is isolated from the roots of Citrus species.
Agrocybenine
Agrocybenine is found in mushrooms. Agrocybenine is an alkaloid from the edible Korean mushroom yangimatusutake (Agrocybe cylindracea). Alkaloid from the edible Korean mushroom yangimatusutake (Agrocybe cylindracea). Agrocybenine is found in mushrooms.
Benzyl hexanoate
Benzyl hexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Phenylmethylglycidic ester
Phenylmethylglycidic ester is a fragrance used in foo
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
Constituent of lavender, prunes, green and black tea and spinach leaves. (E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one is found in many foods, some of which are herbs and spices, fruits, green vegetables, and tea. (E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one is found in fruits. (E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one is a constituent of lavender, prunes, green and black tea and spinach leaves.
Isoeugenol acetate
Isoeugenol acetate is a flavouring ingredient. Flavouring ingredient
2-Phenylpropyl butyrate
2-Phenylpropyl butyrate is a flavouring ingredien Flavouring ingredient
2-Phenylpropyl isobutyrate
2-Phenylpropyl isobutyrate is a flavouring ingredien Flavouring ingredient
3-Phenylpropyl 2-methylpropanoate
3-Phenylpropyl 2-methylpropanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
3-Methylbutyl phenylacetate
3-Methylbutyl phenylacetate is found in peppermint. 3-Methylbutyl phenylacetate is a flavouring ingredien Flavouring ingredient. 3-Methylbutyl phenylacetate is found in peppermint.
2-Phenylethyl pentanoate
2-Phenylethyl pentanoate is found in peppermint. 2-Phenylethyl pentanoate is a flavouring ingredien Flavouring ingredient. 2-Phenylethyl pentanoate is found in peppermint.
xi-8,9-Dehydrotheaspirone
Volatile flavour constituent of white-fleshed nectarines, oranges and Riesling wine. xi-8,9-Dehydrotheaspirone is found in alcoholic beverages, citrus, and fruits. The more odiferous enantiomer of the compound 8,9-Dehydrotheaspirone, a flavour and perfumery ingredient [CCD].
2,4,6-Trimethyl-4-phenyl-1,3-dioxane
2,4,6-Trimethyl-4-phenyl-1,3-dioxane is a fragrance ingredient with a grapefruit-like arom Fragrance ingredient with a grapefruit-like aroma
Methyl 4-tert-butylphenylacetate
Methyl 4-tert-butylphenylacetate is a flavouring ingredient with a roasted, chocolate-like flavour. Methyl 4-tert-butylphenylacetate is used in oral care product Flavouring ingredient with a roasted, chocolate-like flavour. It is used in oral care products Methyl p-tert-butylphenylacetate is an endogenous metabolite.
1-Phenylpropyl butyrate
1-Phenylpropyl butyrate is a flavouring ingredient. Flavouring ingredient
alpha-Methylphenethyl butyrate
alpha-Methylphenethyl butyrate is a flavouring ingredient. Flavouring ingredient
Ethyl (±)-2-ethyl-3-phenylpropanoate
Ethyl (±)-2-ethyl-3-phenylpropanoate is a flavouring ingredient. Flavouring ingredient
1-Methyl-1-phenylethyl isobutyrate
1-Methyl-1-phenylethyl isobutyrate is a flavouring ingredient. Flavouring ingredient
2-Phenylethyl 2-methylbutanoate
2-Phenylethyl 2-methylbutanoate is found in alcoholic beverages. 2-Phenylethyl 2-methylbutanoate is isolated from Mentha cardiaca, Alpinia officinarum (lesser galangal) and cider. 2-Phenylethyl 2-methylbutanoate is a food flavouring ingredient. Isolated from Mentha cardiaca, Alpinia officinarum (lesser galangal) and cider. Food flavouring ingredient. 2-Phenylethyl 2-methylbutanoate is found in alcoholic beverages and herbs and spices.
2-(3-Pentylphenyl)acetic acid
C78273 - Agent Affecting Respiratory System
N-Hydroxy-N'-(4-butyl-2-methylphenyl)formamidine
Valencic acid
Valencic acid, also known as valencate, is a member of the class of compounds known as benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. Valencic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Valencic acid can be found in sweet orange, which makes valencic acid a potential biomarker for the consumption of this food product.
3-Oxo-beta-damascone
3-oxo-beta-damascone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 3-oxo-beta-damascone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-oxo-beta-damascone can be found in common grape, which makes 3-oxo-beta-damascone a potential biomarker for the consumption of this food product.
9-Hydroxymegastigma-4,6,7-trien-3-one
9-hydroxymegastigma-4,6,7-trien-3-one is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 9-hydroxymegastigma-4,6,7-trien-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9-hydroxymegastigma-4,6,7-trien-3-one can be found in common grape, which makes 9-hydroxymegastigma-4,6,7-trien-3-one a potential biomarker for the consumption of this food product.
alpha-3-Oxo-damascone
Alpha-3-oxo-damascone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-3-oxo-damascone can be found in common grape, which makes alpha-3-oxo-damascone a potential biomarker for the consumption of this food product.
3-Oxo-alpha-lonone
3-oxo-alpha-lonone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3-oxo-alpha-lonone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-oxo-alpha-lonone can be found in common grape, which makes 3-oxo-alpha-lonone a potential biomarker for the consumption of this food product.
(E)-3-oxo-beta-ionone
Flavouring compound [Flavornet]
Ethyl trans-p-methoxycinnamate
Ethyl trans-p-methoxycinnamate is found in fats and oils. Ethyl trans-p-methoxycinnamate is a major constituent of oil of Kaempferia galanga (galangal Ethyl p-methoxycinnamate is a natural product found in Hedychium spicatum and Kaempferia galanga with data available. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].
Ethyl trans-p-methoxycinnamate
Ethyl trans-p-methoxycinnamate is found in fats and oils. Ethyl trans-p-methoxycinnamate is a major constituent of oil of Kaempferia galanga (galangal Ethyl p-methoxycinnamate is a natural product found in Hedychium spicatum and Kaempferia galanga with data available. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].
3-hydroxy-3-(2-aminophenyl)-N-methyl-2 pyrrolidone
4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
6-Hydroxy-11,12,13-trinor-1(10),7-eremophiladiene-2,9-dione
trans-(+-)-2-Methyl-5-(2-methyl-5-isopropenyltetrahydro-2-furyl)furan
cis-(+-)-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran
N1-(2-Cyano-3-fluorophenyl)-N1-methylethanimidohydrazide
(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-alpha-L-furanose-form-Me glycoside
beta-D-xylofuranose 1-butyl ether|Butyl-(beta-D-xylopyranosid)
all trans-Tridecatrien-(4,8,10)-in-(6)-diol-(2,3)|trideca-4t,8t,10t-trien-6-yne-2,3-diol
Etrogol
A natural product found in Stachylidium species.
(E)-6-(but-2-en-2-yl)-3-isobutyl-2H-pyran-2-one|6-((2E)-buten-2-yl)-3-isobutyl-2H-pyran-2-one|nocapyrone H
(E)-6-(but-2-en-2-yl)-3-butyl-2H-pyran-2-one|nocapyrone J
1,2,3,3a,4,9-Hexahydropyrrolo[2,1-b]quinazoline-3,3a-diol
2,3,4,5-Tetrahydro-2,5-dimethyl-5-isopropenyl-2,2-bifuran
2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-one
(+)-3-hydroxy-7,8-dehydro-beta-ionone|(+/-)-3-hydroxy-7,8-dehydro-beta-ionone
ibuprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1283; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4853; ORIGINAL_PRECURSOR_SCAN_NO 4851 CONFIDENCE standard compound; INTERNAL_ID 1283; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4858 CONFIDENCE standard compound; INTERNAL_ID 2345 CONFIDENCE standard compound; EAWAG_UCHEM_ID 203
ISOPROTURON
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
FEMA 2690
Methyl p-tert-butylphenylacetate is an endogenous metabolite.
10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al
3-(2-Aminoethylamino)propyl-dimethoxymethylsilane
C8H22N2O2Si (206.14504720000002)
3,4,5,6-Tetrahydro-2H-[1,2]bipyridinyl-3-carboxylic acid
2-[4-(2-AMINO-ETHYL)-PHENYL]-N,N-DIMETHYL-ACETAMIDE
Benzaldehyde, 3-(1,1-dimethylethyl)-4-ethoxy- (9CI)
Benzaldehyde, 5-(1,1-dimethylethyl)-2-ethoxy- (9CI)
4-(morpholin-4-yl)-piperidine hydrochloride
C9H19ClN2O (206.11858339999998)
(3-Acrylamidopropyl)trimethylammonium chloride
C9H19ClN2O (206.11858339999998)
Pyridazine-3-boronic acid pinacol ester
C10H15BN2O2 (206.12265200000002)
Pyrido[3,2-d][1,3]oxazepine, 4-ethoxy-4,5-dihydro-2-methyl- (9CI)
1-(4-METHOXYPHENYL)-2-METHYLPIPERAZINE, 1:1 MIXTURE OF CONFORMERS
(1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
METHYL 6-AMINO-3,4-DIHYDRO-1(2H)-QUINOLINECARBOXYLATE
ETHYL 1,6-DIMETHYL-2-OXO-4-PHENYL-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
METHYL-(4-METHYL-FURAZAN-3-YLMETHYL)-AMINE HYDROCHLORIDE
1-[(2-HYDROXY-1-NAPHTHYL)(4-METHOXYPHENYL)METHYL]-2-NAPHTHOL
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid
(4-(PIPERAZIN-1-YL)PHENYL)BORONIC ACID
C10H15BN2O2 (206.12265200000002)
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl propionate
2-Propenoic acid, octahydro-4,7-methano-1H-inden-5-yl ester
2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
4-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBOXYLIC ACID
Benzenamine, 3-[(1-methyl-4-piperidinyl)oxy]- (9CI)
2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine
C12H15FN2 (206.12192019999998)
4-(AMINOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE
Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-
(2,3-Dimethyl-2-butanyl)(trimethoxy)silane
C9H22O3Si (206.13381420000002)
1,3,5-Triazine-2,4,6-triamine,N2,N2-di-2-propen-1-yl-
5-(MORPHOLIN-4-YLMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID HYDROCHLORIDE
[6-(1-Piperidinyl)-3-pyridinyl]boronic acid
C10H15BN2O2 (206.12265200000002)
Pyrimidine-5-boronic acid pinacol ester
C10H15BN2O2 (206.12265200000002)
2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
2-PIPERIDIN-1-YLISONICOTIC ACID 972-PIPERIDIN-1-YLPYRIDIN-4-YLCARBOXYLIC ACID
4-(1H-PYRAZOL-4-YL)-7-((2-(TRIMETHYLSILYL)ETHOXY)-METHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE
3-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone hydrochloride
C9H19ClN2O (206.11858339999998)
2,2,7,7-TETRAMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
1-(2-METHOXY-ETHYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde
[1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanamine
N,N-dimethyl-2-(4-piperidinyl)acetamide(SALTDATA: 2HCl)
C9H19ClN2O (206.11858339999998)
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
C10H15BN2O2 (206.12265200000002)
Ethyl 4-tert-butylbenzoate
A benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol.
pyridazine-4-boronic acid pinacol ester
C10H15BN2O2 (206.12265200000002)
(3-(CYCLOPROPYLMETHOXY)-5-METHYLPHENYL)BORONIC ACID
Benzeneacetic acid, 4-(aminoiminomethyl)-, ethyl ester
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
C10H15BN2O2 (206.12265200000002)
9-hydroxy-2-methyl-3-vinyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
2-(Piperidin-1-yl)pyridin-4-ylboronic acid
C10H15BN2O2 (206.12265200000002)
10-fluoro-2,3,4,6,7,11b-hexahydro-1h-pyrazino[2,1-a]isoquinoline
C12H15FN2 (206.12192019999998)
4-(3-Chloropropyl)-1-piperazine ethanol
C9H19ClN2O (206.11858339999998)
2-(TERT-BUTYL)-7-FLUORO-1H-INDOL-5-AMINE
C12H15FN2 (206.12192019999998)
1-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE
Pyrimidine, 4-(2-butynyloxy)-6-(1-methylethoxy)- (9CI)
2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
C12H15FN2 (206.12192019999998)
2,6,10,10-Tetramethyl-1-oxaspiro(4.5)deca-2,6-dien-8-one
4-(3-hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one
(E)-4-(5-ethoxypyridin-3-yl)-N-methylbut-3-en-1-amine
2,2-Dimethyl-3,6,9-trioxa-2-silaundecane
C9H22O3Si (206.13381420000002)
2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol
6-Methyl-9-(trimethylsilyl)-9H-purine
C9H14N4Si (206.09876839999998)
Pheneturide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Same as: D01190
(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,6,7-tetrol
5-Chlorooctyl acetate
An acetate ester that is octyl acetate substituted by a chloro group at position 5.
9,9,9-Trimethylisoeugenol
A derivative of isoeugenol with three methyl substituents at position 9.
3,5,6-Trimethyleugenol
A derivative of eugenol with methyl substituents at ring positions 3, 5 and 6.
Trimethylsilyl 2-(2-methoxyethoxy)acetate
C8H18O4Si (206.09743079999998)
Oxotremorine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
Dexibuprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Monoethylglycinexylidide
Amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.