Exact Mass: 206.1227

Exact Mass Matches: 206.1227

Found 264 metabolites which its exact mass value is equals to given mass value 206.1227, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ibuprofen

2-[4-(2-methylpropyl)phenyl]propanoic acid

C13H18O2 (206.1307)


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

   

Plastoquinol-1

2,3-dimethyl-5-(3-methylbut-2-enyl)-benzene-1,4-diol

C13H18O2 (206.1307)


   

Actinamine

4,6-bis(methylamino)cyclohexane-1,2,3,5-tetrol

C8H18N2O4 (206.1267)


   

2-(3-Pentylphenyl)acetic acid

2-(3-Pentylphenyl)acetic acid

C13H18O2 (206.1307)


C78273 - Agent Affecting Respiratory System

   

Amyl phenylacetate

Acetic acid, phenyl-, pentyl ester (8ci)

C13H18O2 (206.1307)


Amyl phenylacetate is a flavouring ingredient. Flavouring ingredient

   

3-Acetoxy-3-methyl-1-phenylbutane

Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate

C13H18O2 (206.1307)


3-Acetoxy-3-methyl-1-phenylbutane is a flavouring ingredien Flavouring ingredient

   

2-Phenylethyl 3-methylbutanoate

Butanoic acid, 3-methyl-, 2-phenylethyl ester

C13H18O2 (206.1307)


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

8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde

C13H18O2 (206.1307)


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

2-Ethylhexyl-4-hydroxybenzoate

C13H18O2 (206.1307)


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.

   

Eremopetasinorone A

2-acetyl-3a,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-5-one

C13H18O2 (206.1307)


Eremopetasinorone B is found in green vegetables. Eremopetasinorone B is a constituent of Petasites japonicus (sweet coltsfoot)

   

Etrogol

2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethan-1-ol

C13H18O2 (206.1307)


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.

   

Benzyl hexanoate

Hexanoic acid, phenylmethyl ester

C13H18O2 (206.1307)


Benzyl hexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one

(3E)-6-methyl-6-(5-methylfuran-2-yl)hept-3-en-2-one

C13H18O2 (206.1307)


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.

   

2-Phenylpropyl butyrate

Butanoic acid, 2-phenylpropyl ester

C13H18O2 (206.1307)


2-Phenylpropyl butyrate is a flavouring ingredien Flavouring ingredient

   

2-Phenylpropyl isobutyrate

2-Phenylpropyl 2-methylpropanoic acid

C13H18O2 (206.1307)


2-Phenylpropyl isobutyrate is a flavouring ingredien Flavouring ingredient

   

3-Phenylpropyl 2-methylpropanoate

Propanoic acid, 2-methyl-, 3-phenylpropyl ester

C13H18O2 (206.1307)


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

Benzeneacetic acid, 3-methylbutyl ester

C13H18O2 (206.1307)


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

Pentanoic acid, 2-phenylethyl ester

C13H18O2 (206.1307)


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

2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one

C13H18O2 (206.1307)


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

C13H18O2 (206.1307)


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

Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester

C13H18O2 (206.1307)


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

Butyric acid, alpha-ethylbenzyl ester

C13H18O2 (206.1307)


1-Phenylpropyl butyrate is a flavouring ingredient. Flavouring ingredient

   

alpha-Methylphenethyl butyrate

alpha-Methylphenethyl butyric acid

C13H18O2 (206.1307)


alpha-Methylphenethyl butyrate is a flavouring ingredient. Flavouring ingredient

   

Ethyl (±)-2-ethyl-3-phenylpropanoate

Benzenepropanoic acid, alpha-ethyl-, ethyl ester

C13H18O2 (206.1307)


Ethyl (±)-2-ethyl-3-phenylpropanoate is a flavouring ingredient. Flavouring ingredient

   

1-Methyl-1-phenylethyl isobutyrate

Propanoic acid, 2-methyl-, 1-methyl-1-phenylethyl ester

C13H18O2 (206.1307)


1-Methyl-1-phenylethyl isobutyrate is a flavouring ingredient. Flavouring ingredient

   

2-Phenylethyl 2-methylbutanoate

Butanoic acid, 2-methyl-, 2-phenylethyl ester

C13H18O2 (206.1307)


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

2-(3-Pentylphenyl)acetic acid

C13H18O2 (206.1307)


C78273 - Agent Affecting Respiratory System

   

3-Oxo-beta-damascone

4-[(2E)-but-2-enoyl]-3,5,5-trimethylcyclohex-3-en-1-one

C13H18O2 (206.1307)


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

4-(3-hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

C13H18O2 (206.1307)


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

(4S)-4-[(2E)-but-2-enoyl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H18O2 (206.1307)


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

3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

C13H18O2 (206.1307)


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

2,4,4-trimethyl-3-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

C13H18O2 (206.1307)


Flavouring compound [Flavornet]

   
   

trans-(+-)-2-Methyl-5-(2-methyl-5-isopropenyltetrahydro-2-furyl)furan

trans-(+-)-2-Methyl-5-(2-methyl-5-isopropenyltetrahydro-2-furyl)furan

C13H18O2 (206.1307)


   

2-Allyl-5-t-butylhydroquinone

2-Allyl-5-t-butylhydroquinone

C13H18O2 (206.1307)


   

3,4-Dihydro-6,7-dimethoxy-2-methylisoquinolinium

3,4-Dihydro-6,7-dimethoxy-2-methylisoquinolinium

C12H16NO2 (206.1181)


   

cis-(+-)-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran

cis-(+-)-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran

C13H18O2 (206.1307)


   

Isoamyl disulfide

Dithiobis (3-methylbutane)

C10H22S2 (206.1163)


   

4-Hydroxy-3,5-diisopropylbenzaldehyde

4-Hydroxy-3,5-Bis(Isopropyl)Benzaldehyde

C13H18O2 (206.1307)


   

(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,

(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,

C13H18O2 (206.1307)


   

SCHEMBL12549249

SCHEMBL12549249

C13H18O2 (206.1307)


   

6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-alpha-L-furanose-form-Me glycoside

6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-alpha-L-furanose-form-Me glycoside

C9H18O5 (206.1154)


   

3,4,5-trimethoxy-6-methyloxan-2-ol

3,4,5-trimethoxy-6-methyloxan-2-ol

C9H18O5 (206.1154)


   

beta-D-xylofuranose 1-butyl ether|Butyl-(beta-D-xylopyranosid)

beta-D-xylofuranose 1-butyl ether|Butyl-(beta-D-xylopyranosid)

C9H18O5 (206.1154)


   
   

all trans-Tridecatrien-(4,8,10)-in-(6)-diol-(2,3)|trideca-4t,8t,10t-trien-6-yne-2,3-diol

all trans-Tridecatrien-(4,8,10)-in-(6)-diol-(2,3)|trideca-4t,8t,10t-trien-6-yne-2,3-diol

C13H18O2 (206.1307)


   
   

Etrogol

2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethan-1-ol

C13H18O2 (206.1307)


A natural product found in Stachylidium species.

   

Volvalerenic acid A

Volvalerenic acid A

C13H18O2 (206.1307)


   

6-hydroxybisabolene-1-one

6-hydroxybisabolene-1-one

C13H18O2 (206.1307)


   

Benzene, (3,3-diethoxy-1-propenyl)-

Benzene, (3,3-diethoxy-1-propenyl)-

C13H18O2 (206.1307)


   

DTXSID50575970

DTXSID50575970

C13H18O2 (206.1307)


   

3-Heptanone, 5-hydroxy-7-phenyl-

3-Heptanone, 5-hydroxy-7-phenyl-

C13H18O2 (206.1307)


   

(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-isobutyl-2H-pyran-2-one|6-((2E)-buten-2-yl)-3-isobutyl-2H-pyran-2-one|nocapyrone H

C13H18O2 (206.1307)


   

3,4-dehydrothespirone

3,4-dehydrothespirone

C13H18O2 (206.1307)


   

(E)-6-(but-2-en-2-yl)-3-butyl-2H-pyran-2-one|nocapyrone J

(E)-6-(but-2-en-2-yl)-3-butyl-2H-pyran-2-one|nocapyrone J

C13H18O2 (206.1307)


   

3-hydroxy-beta-damascenone

3-hydroxy-beta-damascenone

C13H18O2 (206.1307)


   

beta-ethyl-D-glucopyranoside

beta-ethyl-D-glucopyranoside

C9H18O5 (206.1154)


   

2,3,4,5-Tetrahydro-2,5-dimethyl-5-isopropenyl-2,2-bifuran

2,3,4,5-Tetrahydro-2,5-dimethyl-5-isopropenyl-2,2-bifuran

C13H18O2 (206.1307)


   

2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-one

2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

methyl 4,4-dimethoxy-3-(methoxymethyl)butyrate

methyl 4,4-dimethoxy-3-(methoxymethyl)butyrate

C9H18O5 (206.1154)


   

(+)-3-hydroxy-7,8-dehydro-beta-ionone|(+/-)-3-hydroxy-7,8-dehydro-beta-ionone

(+)-3-hydroxy-7,8-dehydro-beta-ionone|(+/-)-3-hydroxy-7,8-dehydro-beta-ionone

C13H18O2 (206.1307)


   

DTXSID90942263

DTXSID90942263

C13H18O2 (206.1307)


   

Dipentyl disulphide

Dipentyl disulphide

C10H22S2 (206.1163)


   

qinghaosu I

qinghaosu I

C13H18O2 (206.1307)


   

ibuprofen

(S)-(+)-Ibuprofen

C13H18O2 (206.1307)


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

   

Eremopetasinorone A

2-acetyl-3a,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-5-one

C13H18O2 (206.1307)


   

Benzyl caproate

Hexanoic acid, phenylmethyl ester

C13H18O2 (206.1307)


   

(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one

(3E)-6-methyl-6-(5-methylfuran-2-yl)hept-3-en-2-one

C13H18O2 (206.1307)


   

FEMA 2891

Butanoic acid, 2-phenylpropyl ester

C13H18O2 (206.1307)


   

FEMA 2892

2-phenylpropyl 2-methylpropanoate

C13H18O2 (206.1307)


   

Centifolia

Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate

C13H18O2 (206.1307)


   

FEMA 2081

Benzeneacetic acid, 3-methylbutyl ester

C13H18O2 (206.1307)


   

Phenethyl valerate

Pentanoic acid, 2-phenylethyl ester

C13H18O2 (206.1307)


   

FEMA 2871

Butanoic acid, 3-methyl-, 2-phenylethyl ester

C13H18O2 (206.1307)


   

xi-8,9-Dehydrotheaspirone

2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one

C13H18O2 (206.1307)


   

Floralate

2,4,6-trimethyl-4-phenyl-1,3-dioxane

C13H18O2 (206.1307)


   

FEMA 2690

Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester

C13H18O2 (206.1307)


Methyl p-tert-butylphenylacetate is an endogenous metabolite.

   

FEMA 2424

Butyric acid, alpha-ethylbenzyl ester

C13H18O2 (206.1307)


   

FEMA 3197

alpha-methyl phenethyl butyrate

C13H18O2 (206.1307)


   

FEMA 3341

Benzenepropanoic acid, alpha-ethyl-, ethyl ester

C13H18O2 (206.1307)


   

10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al

8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde

C13H18O2 (206.1307)


   

FEMA 2388

Propanoic acid, 2-methyl-, 1-methyl-1-phenylethyl ester

C13H18O2 (206.1307)


   

FEMA 3632

Butanoic acid, 2-methyl-, 2-phenylethyl ester

C13H18O2 (206.1307)


   

Amylphenyl acetate

Acetic acid, phenyl-, pentyl ester (8ci)

C13H18O2 (206.1307)


   

FA 13:4

7-phenyl-heptanoic acid

C13H18O2 (206.1307)


   

SFE 13:4

Ethyl 2-ethyl-3-phenylpropanoate

C13H18O2 (206.1307)


   

8-hydroxy-3E,5E,10E,12-tridecatetraen-2-one

8-hydroxy-3E,5E,10E,12-tridecatetraen-2-one

C13H18O2 (206.1307)


   

7-Phenylheptanoic acid

7-Phenylheptanoic acid

C13H18O2 (206.1307)


   

4-AMINO-1-ISOBUTYRYLPIPERIDINE

4-AMINO-1-ISOBUTYRYLPIPERIDINE

C9H19ClN2O (206.1186)


   

2-(4-butylphenyl)propanoic acid

2-(4-butylphenyl)propanoic acid

C13H18O2 (206.1307)


   

methyl 2-(4-ethylphenyl)-2-methylpropanoate

methyl 2-(4-ethylphenyl)-2-methylpropanoate

C13H18O2 (206.1307)


   

Benzenebutanoic acid, b-ethyl-b-methyl-

Benzenebutanoic acid, b-ethyl-b-methyl-

C13H18O2 (206.1307)


   

Benzaldehyde, 3-(1,1-dimethylethyl)-4-ethoxy- (9CI)

Benzaldehyde, 3-(1,1-dimethylethyl)-4-ethoxy- (9CI)

C13H18O2 (206.1307)


   

Benzaldehyde, 5-(1,1-dimethylethyl)-2-ethoxy- (9CI)

Benzaldehyde, 5-(1,1-dimethylethyl)-2-ethoxy- (9CI)

C13H18O2 (206.1307)


   

4-(morpholin-4-yl)-piperidine hydrochloride

4-(morpholin-4-yl)-piperidine hydrochloride

C9H19ClN2O (206.1186)


   

(3-Acrylamidopropyl)trimethylammonium chloride

(3-Acrylamidopropyl)trimethylammonium chloride

C9H19ClN2O (206.1186)


   

1-[4-(2-methylpropoxy)phenyl]propan-1-one

1-[4-(2-methylpropoxy)phenyl]propan-1-one

C13H18O2 (206.1307)


   

3-(4-tert-butylphenyl)propanoic acid

3-(4-tert-butylphenyl)propanoic acid

C13H18O2 (206.1307)


   

3-Phenylpropyl butyrate

Butyric acid, 3-phenylpropyl ester

C13H18O2 (206.1307)


   

florocyclene

florocyclene

C13H18O2 (206.1307)


   

Ethanol,2-[2-(2-methoxyethoxy)ethoxy]-, 1-acetate

Ethanol,2-[2-(2-methoxyethoxy)ethoxy]-, 1-acetate

C9H18O5 (206.1154)


   

Pyridazine-3-boronic acid pinacol ester

Pyridazine-3-boronic acid pinacol ester

C10H15BN2O2 (206.1227)


   

2,4-DIISOPROPYLBENZOIC ACID

2,4-DIISOPROPYLBENZOIC ACID

C13H18O2 (206.1307)


   

1-(4-methoxyphenyl)-3,3-dimethylbutan-1-one

1-(4-methoxyphenyl)-3,3-dimethylbutan-1-one

C13H18O2 (206.1307)


   

Methyl 4-tert-butylphenylacetate

Methyl 4-tert-butylphenylacetate

C13H18O2 (206.1307)


   

Benzenepropanal, 4-butoxy-

Benzenepropanal, 4-butoxy-

C13H18O2 (206.1307)


   

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxirane

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxirane

C13H18O2 (206.1307)


   

2-{[2-(2-Methyl-2-propanyl)phenoxy]methyl}oxirane

2-{[2-(2-Methyl-2-propanyl)phenoxy]methyl}oxirane

C13H18O2 (206.1307)


   

4-(4-propylphenyl)butanoic acid

4-(4-propylphenyl)butanoic acid

C13H18O2 (206.1307)


   

4-Pentylphenyl acetic acid

2-(4-Pentylphenyl)acetic acid

C13H18O2 (206.1307)


   

dimethyloctylchlorosilane

dimethyloctylchlorosilane

C10H23ClSi (206.1257)


   

akos bc-2522

akos bc-2522

C13H18O2 (206.1307)


   

Quinghaosu I

Quinghaosu I

C13H18O2 (206.1307)


   

(4-(PIPERAZIN-1-YL)PHENYL)BORONIC ACID

(4-(PIPERAZIN-1-YL)PHENYL)BORONIC ACID

C10H15BN2O2 (206.1227)


   

3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl propionate

3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl propionate

C13H18O2 (206.1307)


   

1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C10H14N4O (206.1168)


   

Ethyl 2,2-dimethyl-3-phenylpropanoate

Ethyl 2,2-dimethyl-3-phenylpropanoate

C13H18O2 (206.1307)


   

2-Propenoic acid, octahydro-4,7-methano-1H-​inden-5-yl ester

2-Propenoic acid, octahydro-4,7-methano-1H-​inden-5-yl ester

C13H18O2 (206.1307)


   

(R)-(-)-Ibuprofen

(R)-(-)-Ibuprofen

C13H18O2 (206.1307)


   

2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one

2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one

C13H18O2 (206.1307)


   

2-(2,3,4,5,6-pentamethylphenyl)acetic acid

2-(2,3,4,5,6-pentamethylphenyl)acetic acid

C13H18O2 (206.1307)


   

Pentyl disulfide

Pentyl disulfide

C10H22S2 (206.1163)


   

5-(3,4-dimethylphenyl)pentanoic acid

5-(3,4-dimethylphenyl)pentanoic acid

C13H18O2 (206.1307)


   

sodium undecylenate

sodium undecylenate

C11H19NaO2 (206.1283)


   

1-[4-(3-METHYL-BUTOXY)-PHENYL]-ETHANONE

1-[4-(3-METHYL-BUTOXY)-PHENYL]-ETHANONE

C13H18O2 (206.1307)


   

1,10-Decanedithiol

1,10-Decanedithiol

C10H22S2 (206.1163)


   

4-Hydroxyphenyl hexyl ketone

4-Hydroxyphenyl hexyl ketone

C13H18O2 (206.1307)


   

m-Isobutyl Ibuprofen

m-Isobutyl Ibuprofen

C13H18O2 (206.1307)


   

Benzaldehyde,2-(hexyloxy)-

Benzaldehyde,2-(hexyloxy)-

C13H18O2 (206.1307)


   

2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine

C12H15FN2 (206.1219)


   

N-(2,2-Diethoxyethyl)-N-methoxy-urea

N-(2,2-Diethoxyethyl)-N-methoxy-urea

C8H18N2O4 (206.1267)


   

1-(3-METHOXYPHENYL)CYCLOHEXANOL

1-(3-METHOXYPHENYL)CYCLOHEXANOL

C13H18O2 (206.1307)


   

ethyl mesitylacetate

ethyl mesitylacetate

C13H18O2 (206.1307)


   

1,3,5-Triazine-2,4,6-triamine,N2,N2-di-2-propen-1-yl-

1,3,5-Triazine-2,4,6-triamine,N2,N2-di-2-propen-1-yl-

C9H14N6 (206.128)


   

Benzylisopropyl propionate

Dimethyl Benzyl Carbinyl Propionate

C13H18O2 (206.1307)


   

[6-(1-Piperidinyl)-3-pyridinyl]boronic acid

[6-(1-Piperidinyl)-3-pyridinyl]boronic acid

C10H15BN2O2 (206.1227)


   

Dicyclopentanyl acrylate

Dicyclopentanyl acrylate

C13H18O2 (206.1307)


   

Pyrimidine-5-boronic acid pinacol ester

Pyrimidine-5-boronic acid pinacol ester

C10H15BN2O2 (206.1227)


   

BENZOIC ACID 2-METHYLPENTYL ESTER

BENZOIC ACID 2-METHYLPENTYL ESTER

C13H18O2 (206.1307)


   

DI-TERT-AMYL DISULFIDE

DI-TERT-AMYL DISULFIDE

C10H22S2 (206.1163)


   

Ethanone, 1-[4- (pentyloxy)phenyl]-

Ethanone, 1-[4- (pentyloxy)phenyl]-

C13H18O2 (206.1307)


   

1-Adamantyl acrylate

1-Adamantyl acrylate

C13H18O2 (206.1307)


   

3-HYDROXY-2-METHYL-1-PHENYL-HEXAN-1-ONE

3-HYDROXY-2-METHYL-1-PHENYL-HEXAN-1-ONE

C13H18O2 (206.1307)


   

para-cresyl hexanoate

Hexanoic acid, 4-methylphenyl ester

C13H18O2 (206.1307)


   

Cinnamaldehyde diethyl acetal

Cinnamaldehyde, diethyl acetal

C13H18O2 (206.1307)


   

4-tert-Butylphenyl glycidyl ether

4-tert-Butylphenyl glycidyl ether

C13H18O2 (206.1307)


   

3-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone hydrochloride

3-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone hydrochloride

C9H19ClN2O (206.1186)


   

2,2,7,7-TETRAMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE

2,2,7,7-TETRAMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE

C13H18O2 (206.1307)


   

2-METHYL-5-PHENYL-PENTANOIC ACID METHYL ESTER

2-METHYL-5-PHENYL-PENTANOIC ACID METHYL ESTER

C13H18O2 (206.1307)


   

N,N-dimethyl-2-(4-piperidinyl)acetamide(SALTDATA: 2HCl)

N,N-dimethyl-2-(4-piperidinyl)acetamide(SALTDATA: 2HCl)

C9H19ClN2O (206.1186)


   

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C10H15BN2O2 (206.1227)


   

4-methyl-2-[1-(o-tolyl)ethyl]-1,3-dioxolane

4-methyl-2-[1-(o-tolyl)ethyl]-1,3-dioxolane

C13H18O2 (206.1307)


   

Ethyl 4-tert-butylbenzoate

Benzoic acid,4-(1,1-dimethylethyl)-, ethyl ester

C13H18O2 (206.1307)


A benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol.

   

[1,2,4]Triazolo[4,3-a]pyridine-3-amine

[1,2,4]Triazolo[4,3-a]pyridine-3-amine

C13H18O2 (206.1307)


   

2-adamantanyl acrylate

2-adamantanyl acrylate

C13H18O2 (206.1307)


   

pyridazine-4-boronic acid pinacol ester

pyridazine-4-boronic acid pinacol ester

C10H15BN2O2 (206.1227)


   

dicyclopentadiene propionate

dicyclopentadiene propionate

C13H18O2 (206.1307)


   

2-[(2-butylphenoxy)methyl]oxirane

2-[(2-butylphenoxy)methyl]oxirane

C13H18O2 (206.1307)


   

Benzaldehyde, 3-methyl-4-(pentyloxy)- (9CI)

Benzaldehyde, 3-methyl-4-(pentyloxy)- (9CI)

C13H18O2 (206.1307)


   

Benzaldehyde, 3-methyl-4-(3-methylbutoxy)- (9CI)

Benzaldehyde, 3-methyl-4-(3-methylbutoxy)- (9CI)

C13H18O2 (206.1307)


   

1,2-Bis(Trimethylsiloxy)Ethane

1,2-Bis(Trimethylsiloxy)Ethane

C8H22O2Si2 (206.1158)


   

2-(Hydroxymethyl)-12-crown-4

2-(Hydroxymethyl)-12-crown-4

C9H18O5 (206.1154)


   

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C10H15BN2O2 (206.1227)


   

2-[4-(1-Methylpropyl)phenyl] propanoic Acid

2-[4-(1-Methylpropyl)phenyl] propanoic Acid

C13H18O2 (206.1307)


   

Lysine Acetate

Lysine Acetate

C8H18N2O4 (206.1267)


   

IBuprofen Impurity 60

IBuprofen Impurity 60

C13H18O2 (206.1307)


   

Ibuprofen Impurity 7

Ibuprofen Impurity 7

C13H18O2 (206.1307)


   

Ibuprofen Impurity 59

Ibuprofen Impurity 59

C13H18O2 (206.1307)


   

phenethyl pivalate

2-Phenylethyl pivalate

C13H18O2 (206.1307)


A pivalate ester of 2-phenylethanol.

   

2-(Piperidin-1-yl)pyridin-4-ylboronic acid

2-(Piperidin-1-yl)pyridin-4-ylboronic acid

C10H15BN2O2 (206.1227)


   

10-fluoro-2,3,4,6,7,11b-hexahydro-1h-pyrazino[2,1-a]isoquinoline

10-fluoro-2,3,4,6,7,11b-hexahydro-1h-pyrazino[2,1-a]isoquinoline

C12H15FN2 (206.1219)


   

(2S)-2-(4-butylphenyl)propanoic acid

(2S)-2-(4-butylphenyl)propanoic acid

C13H18O2 (206.1307)


   

Ibuprofen Impurity F

Ibuprofen Impurity F

C13H18O2 (206.1307)


   

ALPHA-(TERT-BUTYL)HYDROCINNAMIC ACID

ALPHA-(TERT-BUTYL)HYDROCINNAMIC ACID

C13H18O2 (206.1307)


   

4-(3-Chloropropyl)-1-piperazine ethanol

4-(3-Chloropropyl)-1-piperazine ethanol

C9H19ClN2O (206.1186)


   

Chloro(dimethyl)(2,4,4-trimethylpentyl)silane

Chloro(dimethyl)(2,4,4-trimethylpentyl)silane

C10H23ClSi (206.1257)


   

2-(TERT-BUTYL)-7-FLUORO-1H-INDOL-5-AMINE

2-(TERT-BUTYL)-7-FLUORO-1H-INDOL-5-AMINE

C12H15FN2 (206.1219)


   

2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE

2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE

C12H15FN2 (206.1219)


   

3-HYDROXY-2,4-DIMETHYL-1-PHENYL-PENTAN-1-ONE

3-HYDROXY-2,4-DIMETHYL-1-PHENYL-PENTAN-1-ONE

C13H18O2 (206.1307)


   

L-Lysine acetate

L-Lysine monoacetate

C8H18N2O4 (206.1267)


   

4-Hexoxybenzaldehyde

4-Hexoxybenzaldehyde

C13H18O2 (206.1307)


   

4-Hexylbenzoic acid

4-Hexylbenzoic acid

C13H18O2 (206.1307)


   

2,6,10,10-Tetramethyl-1-oxaspiro(4.5)deca-2,6-dien-8-one

2,6,10,10-Tetramethyl-1-oxaspiro(4.5)deca-2,6-dien-8-one

C13H18O2 (206.1307)


   

4-(3-hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

4-(3-hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one

C13H18O2 (206.1307)


   

4-Methylpentyl benzoate

4-Methylpentyl benzoate

C13H18O2 (206.1307)


   

Pentyl 4-methylbenzoate

Pentyl 4-methylbenzoate

C13H18O2 (206.1307)


   

6-Hydroxy-2,2,5,7-tetramethylchroman

6-Hydroxy-2,2,5,7-tetramethylchroman

C13H18O2 (206.1307)


   

Benzoic acid, 4-pentyl-, methyl ester

Benzoic acid, 4-pentyl-, methyl ester

C13H18O2 (206.1307)


   

Butanoic acid, 3-methyl-, 1-phenylethyl ester

Butanoic acid, 3-methyl-, 1-phenylethyl ester

C13H18O2 (206.1307)


   

Bis(2,2-dimethylpropyl) disulfide

Bis(2,2-dimethylpropyl) disulfide

C10H22S2 (206.1163)


   

2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol

2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol

C13H18O2 (206.1307)


   

29790-29-2

3-[(E)-3-ketobut-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

AI3-30606

Butanoic acid, 3-methyl-, 2-phenylethyl ester

C13H18O2 (206.1307)


   

AI3-02064

4-09-00-00293 (Beilstein Handbook Reference)

C13H18O2 (206.1307)


   

alpha-Monofluoromethylarginine

alpha-Monofluoromethylarginine

C7H15FN4O2 (206.1179)


   

alpha-3-Oxo-damascone

alpha-3-Oxo-damascone

C13H18O2 (206.1307)


   

Hexan-2-yl benzoate

Hexan-2-yl benzoate

C13H18O2 (206.1307)


   

Benzoic acid, hex-3-yl ester

Benzoic acid, hex-3-yl ester

C13H18O2 (206.1307)


   

9,9,9-Trimethylisoeugenol

9,9,9-Trimethylisoeugenol

C13H18O2 (206.1307)


A derivative of isoeugenol with three methyl substituents at position 9.

   

3,5,6-Trimethyleugenol

3,5,6-Trimethyleugenol

C13H18O2 (206.1307)


A derivative of eugenol with methyl substituents at ring positions 3, 5 and 6.

   

6-Cyclohexyl-4-methyl-1-oxidopyridin-2-one

6-Cyclohexyl-4-methyl-1-oxidopyridin-2-one

C12H16NO2- (206.1181)


   

Pentyl 2-methylbenzoate

Pentyl 2-methylbenzoate

C13H18O2 (206.1307)


   

p-Toluic acid, 3-methylbutyl ester

p-Toluic acid, 3-methylbutyl ester

C13H18O2 (206.1307)


   

Methyl 2,3,4-tri-O-methylxylopyranoside

Methyl 2,3,4-tri-O-methylxylopyranoside

C9H18O5 (206.1154)


   

o-Toluic acid, 3-methylbutyl ester

o-Toluic acid, 3-methylbutyl ester

C13H18O2 (206.1307)


   

Methyl tri-O-methyl-beta-D-ribofranoside

Methyl tri-O-methyl-beta-D-ribofranoside

C9H18O5 (206.1154)


   

Acetic acid 1-benzyl-2-methylpropyl ester

Acetic acid 1-benzyl-2-methylpropyl ester

C13H18O2 (206.1307)


   

6-Phenyl-4-methylthio-1-hexene

6-Phenyl-4-methylthio-1-hexene

C13H18S (206.1129)


   

1-Methoxy-1-phenyl-2-methyl-3-pentanone

1-Methoxy-1-phenyl-2-methyl-3-pentanone

C13H18O2 (206.1307)


   

3-Methyl-4-phenylpentanoic acid methyl ester

3-Methyl-4-phenylpentanoic acid methyl ester

C13H18O2 (206.1307)


   

Dexibuprofen

(S)-(+)-Ibuprofen

C13H18O2 (206.1307)


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

   

Isoamyl phenylacetate

3-Methylbutyl phenylacetate

C13H18O2 (206.1307)


   

ethyl 2-benzylbutanoate

ethyl 2-benzylbutanoate

C13H18O2 (206.1307)


   

alpha-methyl phenethyl butyrate

alpha-methyl phenethyl butyrate

C13H18O2 (206.1307)


   

(4r)-3,5,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

(4r)-3,5,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

(1r,3s,4r,6s)-4,6-bis(methylamino)cyclohexane-1,2,3,5-tetrol

(1r,3s,4r,6s)-4,6-bis(methylamino)cyclohexane-1,2,3,5-tetrol

C8H18N2O4 (206.1267)


   

methyl 3-(dimethoxymethyl)-4-methoxybutanoate

methyl 3-(dimethoxymethyl)-4-methoxybutanoate

C9H18O5 (206.1154)


   

7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one

7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one

C13H18O2 (206.1307)


   

6-(but-2-en-2-yl)-3-(2-methylpropyl)pyran-2-one

6-(but-2-en-2-yl)-3-(2-methylpropyl)pyran-2-one

C13H18O2 (206.1307)


   

(4ar,8s,8ar)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde

(4ar,8s,8ar)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde

C13H18O2 (206.1307)


   

2-(buta-1,3-dien-1-yl)-4-(penta-1,3-dien-1-yl)oxolan-3-ol

2-(buta-1,3-dien-1-yl)-4-(penta-1,3-dien-1-yl)oxolan-3-ol

C13H18O2 (206.1307)


   

(2e,4e,6r,7r,8e,10e)-trideca-2,4,8,10,12-pentaene-6,7-diol

(2e,4e,6r,7r,8e,10e)-trideca-2,4,8,10,12-pentaene-6,7-diol

C13H18O2 (206.1307)


   

2,3,4-trihydroxybutyl 3-methylbutanoate

2,3,4-trihydroxybutyl 3-methylbutanoate

C9H18O5 (206.1154)


   

6-[(2e)-but-2-en-2-yl]-3-(2-methylpropyl)pyran-2-one

6-[(2e)-but-2-en-2-yl]-3-(2-methylpropyl)pyran-2-one

C13H18O2 (206.1307)


   

3-keto-β-ionone

NA

C13H18O2 (206.1307)


{"Ingredient_id": "HBIN008780","Ingredient_name": "3-keto-\u03b2-ionone","Alias": "NA","Ingredient_formula": "C13H18O2","Ingredient_Smile": "CC1=C(C(CCC1=O)(C)C)C=CC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12199","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

arteamisinine i

NA

C13H18O2 (206.1307)


{"Ingredient_id": "HBIN016926","Ingredient_name": "arteamisinine i","Alias": "NA","Ingredient_formula": "C13H18O2","Ingredient_Smile": "CC1CCC2C3C1CC=C(C3OC2=O)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1782","TCMSP_id": "NA","TCM_ID_id": "6623","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3z,5e,7e,9e)-4-hydroxy-11-methyldodeca-3,5,7,9-tetraen-2-one

(3z,5e,7e,9e)-4-hydroxy-11-methyldodeca-3,5,7,9-tetraen-2-one

C13H18O2 (206.1307)


   

(1r,4r,7r,8s,12r)-7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one

(1r,4r,7r,8s,12r)-7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one

C13H18O2 (206.1307)


   

2-{1-[(2r,5s)-5-ethenyl-5-methyloxolan-2-yl]ethyl}furan

2-{1-[(2r,5s)-5-ethenyl-5-methyloxolan-2-yl]ethyl}furan

C13H18O2 (206.1307)


   

(2s)-2-hydroxy-5-methyl-1-phenylhexan-3-one

(2s)-2-hydroxy-5-methyl-1-phenylhexan-3-one

C13H18O2 (206.1307)


   

4-hydroxy-11-methyldodeca-3,5,7,9-tetraen-2-one

4-hydroxy-11-methyldodeca-3,5,7,9-tetraen-2-one

C13H18O2 (206.1307)


   

2-methyl-5-[(2r,5s)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

2-methyl-5-[(2r,5s)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

C13H18O2 (206.1307)


   

2-[(1s)-1-[(5r)-5-ethenyl-5-methyloxolan-2-yl]ethyl]furan

2-[(1s)-1-[(5r)-5-ethenyl-5-methyloxolan-2-yl]ethyl]furan

C13H18O2 (206.1307)


   

5-hydroxy-7-phenylheptan-3-one

5-hydroxy-7-phenylheptan-3-one

C13H18O2 (206.1307)


   

(3e)-2-oxo-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal

(3e)-2-oxo-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal

C13H18O2 (206.1307)


   

2-hydroxy-5-methyl-1-phenylhexan-3-one

2-hydroxy-5-methyl-1-phenylhexan-3-one

C13H18O2 (206.1307)


   

4-[(2e)-but-2-enoyl]-3,5,5-trimethylcyclohex-2-en-1-one

4-[(2e)-but-2-enoyl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H18O2 (206.1307)


   

(4as,8s,8ar)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde

(4as,8s,8ar)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde

C13H18O2 (206.1307)


   

(3ar,4s,7ar)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1h-inden-5-one

(3ar,4s,7ar)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1h-inden-5-one

C13H18O2 (206.1307)


   

(2r,3r,4r)-2-[(1e)-buta-1,3-dien-1-yl]-4-[(1e,3e)-penta-1,3-dien-1-yl]oxolan-3-ol

(2r,3r,4r)-2-[(1e)-buta-1,3-dien-1-yl]-4-[(1e,3e)-penta-1,3-dien-1-yl]oxolan-3-ol

C13H18O2 (206.1307)


   

(4r,5s,6r)-4,5,6-trimethyl-5-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

(4r,5s,6r)-4,5,6-trimethyl-5-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

diisoamyl disulfide

diisoamyl disulfide

C10H22S2 (206.1163)


   

3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

(2r,3s,4r)-2-[(1e)-buta-1,3-dien-1-yl]-4-[(1e,3e)-penta-1,3-dien-1-yl]oxolan-3-ol

(2r,3s,4r)-2-[(1e)-buta-1,3-dien-1-yl]-4-[(1e,3e)-penta-1,3-dien-1-yl]oxolan-3-ol

C13H18O2 (206.1307)


   

7-methyl-11-methylidene-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one

7-methyl-11-methylidene-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one

C13H18O2 (206.1307)


   

2-methyl-5-[2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

2-methyl-5-[2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

C13H18O2 (206.1307)


   

methyl (3s)-3-(dimethoxymethyl)-4-methoxybutanoate

methyl (3s)-3-(dimethoxymethyl)-4-methoxybutanoate

C9H18O5 (206.1154)


   

(2r,3r)-2,3,4-trihydroxybutyl 3-methylbutanoate

(2r,3r)-2,3,4-trihydroxybutyl 3-methylbutanoate

C9H18O5 (206.1154)


   

(4s)-3,5,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

(4s)-3,5,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

C13H18O2 (206.1307)


   

4-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-yn-2-one

4-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-yn-2-one

C13H18O2 (206.1307)


   

2-methyl-5-[(2s,5r)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

2-methyl-5-[(2s,5r)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

C13H18O2 (206.1307)


   

4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-one

4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-one

C13H18O2 (206.1307)


   

2-methyl-5-[(2r,5r)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

2-methyl-5-[(2r,5r)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan

C13H18O2 (206.1307)


   

1-[4-(hydroxymethyl)phenyl]hexan-1-one

1-[4-(hydroxymethyl)phenyl]hexan-1-one

C13H18O2 (206.1307)


   

2-methylpropyl 3-phenylpropanoate

2-methylpropyl 3-phenylpropanoate

C13H18O2 (206.1307)


   

(1r,4r,7r,8s,12r)-7-methyl-11-methylidene-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one

(1r,4r,7r,8s,12r)-7-methyl-11-methylidene-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one

C13H18O2 (206.1307)


   

(3z)-4-hydroxy-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one

(3z)-4-hydroxy-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one

C13H18O2 (206.1307)


   

(3ar,4r,7ar)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1h-inden-5-one

(3ar,4r,7ar)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1h-inden-5-one

C13H18O2 (206.1307)


   

4-[(3r)-3-hydroxybut-1-en-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-one

4-[(3r)-3-hydroxybut-1-en-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-one

C13H18O2 (206.1307)


   

sec-butyl 3-phenylpropanoate

sec-butyl 3-phenylpropanoate

C13H18O2 (206.1307)


   

(2r)-2-hydroxy-5-methyl-1-phenylhexan-3-one

(2r)-2-hydroxy-5-methyl-1-phenylhexan-3-one

C13H18O2 (206.1307)


   

dimethyl phenylethyl carbinyl acetate

dimethyl phenylethyl carbinyl acetate

C13H18O2 (206.1307)