Exact Mass: 206.1168

CONFIDENCE standard compound; INTERNAL_ID 2499

Ibuprofen

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

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

Pheneturide

1-[(C-hydroxycarbonimidoyl)imino]-2-phenylbutan-1-ol

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

trans,trans-1,4-Diphenyl-1,3-butadiene

Benzene,1,1-(1E,3E)-1,3-butadiene-1,4-diylbis-

Actinamine

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

1,4-DIMETHYLPHENANTHRENE

2-(3-Pentylphenyl)acetic acid

C78273 - Agent Affecting Respiratory System

2-(5-Fluoropentyl)-2-methylmalonic acid

C9H15FO4 (206.0954)

Amyl phenylacetate

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

Amyl phenylacetate is a flavouring ingredient. Flavouring ingredient

3-Acetoxy-3-methyl-1-phenylbutane

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

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

2-Phenylethyl 3-methylbutanoate

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

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

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

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

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

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

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

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

2-Phenylpropyl butyrate is a flavouring ingredien Flavouring ingredient

2-Phenylpropyl isobutyrate

2-Phenylpropyl 2-methylpropanoic acid

2-Phenylpropyl isobutyrate is a flavouring ingredien Flavouring ingredient

3-Phenylpropyl 2-methylpropanoate

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

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

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

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

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

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

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

1-Phenylpropyl butyrate is a flavouring ingredient. Flavouring ingredient

alpha-Methylphenethyl butyrate

alpha-Methylphenethyl butyric acid

alpha-Methylphenethyl butyrate is a flavouring ingredient. Flavouring ingredient

Ethyl (±)-2-ethyl-3-phenylpropanoate

Benzenepropanoic acid, alpha-ethyl-, ethyl ester

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

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

2-Phenylethyl 2-methylbutanoate

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

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

9,10-Dimethylanthracene

9,10-Dimethylanthracene, ion(2+)

2-(5-Fluoropentyl)-2-methylmalonic acid

2-(5-fluoropentyl)-2-methylpropanedioic acid

C9H15FO4 (206.0954)

3-Oxo-beta-damascone

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

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

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

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

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

Flavouring compound [Flavornet]

Isoamyl disulfide

Dithiobis (3-methylbutane)

4-Hydroxy-3,5-diisopropylbenzaldehyde

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

N1-(2-Cyano-3-fluorophenyl)-N1-methylethanimidohydrazide

C10H11FN4 (206.0968)

(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,

SCHEMBL12549249

4,5-Dimethylphenanthrene

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

2,3-Dimethylanthracene

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

Donaxaridine

1,2,3,10b-Tetrahydrofluoranthene

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

SCHEMBL16431179

Aureonitol

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

C13H18O2

Khusitone

SCHEMBL17867112

Etrogol

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

A natural product found in Stachylidium species.

Volvalerenic acid A

1,8-DIMETHYLPHENANTHRENE

2,6-DIMETHYLANTHRACENE

6-hydroxybisabolene-1-one

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

DTXSID50575970

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

(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

3,4-dehydrothespirone

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

3-hydroxy-beta-damascenone

beta-ethyl-D-glucopyranoside

phenylethyl malonamide

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

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

Diptocarpaine

3,6-DIMETHYLPHENANTHRENE

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

Diphensuccindan

DTXSID90942263

Dipentyl disulphide

qinghaosu I

OUKVSYNLCDYHEH-UHFFFAOYSA-

2-Methyl-5,7-dimethoxy-2H-1-benzopyran

2,7-Dimethylanthracene

1-(2-hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one

(Z)-6,7-Epoxy-6,7-dihydroligustilide|(Z)-6,7-epoxyligustilide

Aceteugenol

InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H

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. Acetyleugenol is a member of phenols and a benzoate ester. Acetyleugenol is a natural product found in Myrtus communis, Illicium verum, and other organisms with data available. See also: Clove Oil (part of). 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.

ibuprofen

(S)-(+)-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

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

NCGC00385936-01!4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid_61.1\\%

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid_major

Eremopetasinorone A

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

,&beta

2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester

2-[(E)-2-phenylethenyl]-1,3-dioxan-5-ol

(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol

Benzyl caproate

Hexanoic acid, phenylmethyl ester

Acetisoeugenol

Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate

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].

(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

Cuelure

2-Butanone, 4-(P-hydroxyphenyl)-, acetate

Isoeugenol acetate

2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate

FEMA 2891

Butanoic acid, 2-phenylpropyl ester

FEMA 2892

2-phenylpropyl 2-methylpropanoate

Centifolia

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

FEMA 2081

Benzeneacetic acid, 3-methylbutyl ester

Phenethyl valerate

Pentanoic acid, 2-phenylethyl ester

FEMA 2871

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

Verimol I

(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl acetate

xi-8,9-Dehydrotheaspirone

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

Floralate

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

FEMA 2690

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

Methyl p-tert-butylphenylacetate is an endogenous metabolite.

FEMA 2424

Butyric acid, alpha-ethylbenzyl ester

FEMA 3197

alpha-methyl phenethyl butyrate

FEMA 3341

Benzenepropanoic acid, alpha-ethyl-, ethyl ester

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

FEMA 2388

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

FEMA 3632

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

Amylphenyl acetate

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

6-Methoxy-2,2-dimethyl-4-chromanone

2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzoic acid

FA 13:4

7-phenyl-heptanoic acid

SFE 13:4

Ethyl 2-ethyl-3-phenylpropanoate

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

7-Phenylheptanoic acid

1-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID

methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate

4-AMINO-1-ISOBUTYRYLPIPERIDINE

2-(3-Chloropropyl)-2,5,5-trimethyl-1,3-dioxane

3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid

3,4,5,6-Tetrahydro-2H-[1,2]bipyridinyl-3-carboxylic acid

methyl 6-(1-pyrrolidinyl)nicotinate

2-Methyl-7-phenylindene

6,7-Dimethoxy-2-tetralone

9,10-dimethylphenanthrene

2-(4-butylphenyl)propanoic acid

3,10-dimethylphenanthrene

1,3-Dimethylphenanthrene

dimethylanthracene

2-Ethylanthracene

1-(2-ETHOXYETHYL)-1H-BENZO[D]IMIDAZOL-2(3H)-ONE

4,5-DIMETHOXY-2-METHYL-INDAN-1-ONE

1-ETHYL-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE

8-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID

6-HYDROXY-1-PHENYL-1,3-HEXANEDIONE

propyltriethoxysilane

ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate

ETHYL 3,4-DIMETHYLBENZOYLFORMATE

6,7-Dimethoxy-1-tetralone

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

Benzenebutanoic acid, b-ethyl-b-methyl-

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

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

3-(7-Methoxy-1-benzofuran-5-yl)-1-propanol

4,4-dimethyl-2,3-dihydrochromene-6-carboxylic acid

2,2-DIMETHYL-7-METHOXY-4-CHROMANONE

3,5-dimethyl-4-prop-2-enoxybenzoic acid

4-NITRO-1,3-BENZOTHIAZOL-2-AMINE

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

(3-Acrylamidopropyl)trimethylammonium chloride

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

2-BENZO[1,3]DIOXOL-5-YL-PIPERAZINE

4-Ethyl-4-ethynylbiphenyl

3-(4-tert-butylphenyl)propanoic acid

2-(Cyclopentylamino)nicotinic acid

3-Phenylpropyl butyrate

Butyric acid, 3-phenylpropyl ester

3,9-dimethylphenanthrene

DIMETHYLPHENANTHRENE

2-piperidin-1-ylpyridine-3-carboxylic acid

Benzenehexanoic acid, e-oxo-

florocyclene

Pentanoic acid,4-(2-phenylhydrazinylidene)-

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

Pyridazine-3-boronic acid pinacol ester

2-Piperazin-1-yl-benzoic acid

Ethyl 3-oxo-4-phenylbutanoate

methyl 4-(4-methylphenyl)-4-oxo-butanoate

5-(4-METHYLPHENYL)-5-OXOVALERIC ACID

3-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

4-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

Pyrido[3,2-d][1,3]oxazepine, 4-ethoxy-4,5-dihydro-2-methyl- (9CI)

2,4-DIISOPROPYLBENZOIC ACID

2,3,3-Trimethyl-5-nitroindoline

4-(4-Nitrophenyl)piperidine

1-(4-Nitrophenyl)piperidine

3-(Benzyloxy)cyclobutanecarboxylic acid

CHLOROFORMIC ACID N-NONYL ESTER

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

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

Benzaldehyde, 3-ethoxy-4-(2-propenyloxy)- (9CI)

Methyl 4-tert-butylphenylacetate

(1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one

C13H15FO (206.1107)

Methyl 5-methoxy-2,3-dihydro-1H-indene-2-carboxylate

Benzenepropanal, 4-butoxy-

5,6-Dimethoxy-3-methyl-1-indanone

5,7-Dimethoxy-3-methyl-1-indanone

Methyl 3-amino-4-(cyclopropylamino)benzoate

2-(4-Methoxyphenyl)tetrahydro-4H-pyran-4-one

5,8-Dimethoxy-2-tetralone

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

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

5-Piperidin-1-ylnicotinic acid

Benzyl 3-amino-1-azetidinecarboxylate

4-(4-propylphenyl)butanoic acid

2-ETHYLPHENANTHRENE

9-Ethylphenanthrene

4-Pentylphenyl acetic acid

2-(4-Pentylphenyl)acetic acid

ethyl 3-oxo-3-m-tolylpropanoate

Hexyltrimethoxysilane

dimethyloctylchlorosilane

C10H23ClSi (206.1257)

akos bc-2522

1-(6-morpholin-4-ylpyridin-3-yl)ethanone

METHYL 6-AMINO-3,4-DIHYDRO-1(2H)-QUINOLINECARBOXYLATE

METHYL-(4-METHYL-FURAZAN-3-YLMETHYL)-AMINE HYDROCHLORIDE

4-Phenyltetrahydro-2H-pyran-4-carboxylic acid

2-Methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde

3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid

(2R)-2-[(4-NITROPHENYL)AMINO]PROPANOICACID

1-(2-Methyl-4-nitrophenyl)pyrrolidine

Quinghaosu I

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

3-(CYCLOPENTYLOXY)BENZOIC ACID

5,6-Dimethoxy-2-methyl-1-indanone

N(1),N(3)-diallyl-6-methyluracil

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

3-Ethylphenanthrene

p-Methoxycinnamic acid ethyl ester

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

C10H14N4O (206.1168)

Propanoic acid,2-[(2,3-dihydro-1H-inden-5-yl)oxy]-

3-oxo-4-m-tolyl-butyric acid methyl ester

Ethyl 2-benzoylpropanoate

METHYL 5-HEX-1-YNYL-2-FUROATE

1-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID

p-nitrobenzylidene tert-butylamine

Ethyl 3-(3-oxopropyl)benzoate

1-(BENZO[D][1,3]DIOXOL-4-YL)PIPERAZINE

Ethyl 2,2-dimethyl-3-phenylpropanoate

4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde

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

3-(5-acetyl-2-methoxy-phenyl)propanal

1-[3-(Methylsulfonyl)propyl]piperazine

(R)-(-)-Ibuprofen

2-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

ethyl para-methyl-beta-phenyl glycidate

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

furofenac

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

Pentyl disulfide

1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER

5-(3,4-dimethylphenyl)pentanoic acid

2,5-DIACETAMIDOTOLUENE

sodium undecylenate

C11H19NaO2 (206.1283)

4-(1-Piperazinyl)benzoic acid

2,3-DIPHENYL-1,3-BUTADIENE

6-PIPERIDINOPYRIDINE-2-CARBOXYLIC ACID

Dimezone S

Ac-L-Phe-NH2

1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBOXYLIC ACID

Piperidine,1-(2-nitrophenyl)-

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

6-Piperidinonicotinic acid

3-PIPERIDINOPYRIDINE-2-CARBOXYLIC ACID

1,10-Decanedithiol

Triisopropoxysilane

1,1-dimethylsila-11-crown-4

C8H18O4Si (206.0974)

4-Hydroxyphenyl hexyl ketone

N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide

m-Isobutyl Ibuprofen

1,3-dimethylanthracene

2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid

Benzaldehyde,2-(hexyloxy)-

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

Benzyl 3-azetidinylcarbamate

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

4-(AMINOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE

C10H11FN4 (206.0968)

1-(3-METHOXYPHENYL)CYCLOHEXANOL

1-(4-AMINO-2,5-DICHLORO-PHENYL)-ACETICACID

Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-

(2,3-Dimethyl-2-butanyl)(trimethoxy)silane

ethyl mesitylacetate

(4-HYDROXYPHENYL)PIPERAZIN-1-YL-METHANONE

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

C9H14N6 (206.128)

(2-AMINO-PHENYL)-MORPHOLIN-4-YL-METHANONE

1,2-Bis(diethylphosphino)ethane

C10H24P2 (206.1353)

Benzylisopropyl propionate

Dimethyl Benzyl Carbinyl Propionate

1,5-Dimethylanthracene

1-(3-METHOXY-PHENYL)-PIPERAZIN-2-ONE

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

(2-Allylphenoxy)trimethylsilan

Dicyclopentanyl acrylate

Pyrimidine-5-boronic acid pinacol ester

BENZOIC ACID 2-METHYLPENTYL ESTER

DI-TERT-AMYL DISULFIDE

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

4-[(cyclopropylmethoxy)methyl]phenylboronic acid

C11H15BO3 (206.1114)

1-butylsulfonylpiperazine

1-Adamantyl acrylate

2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

allyl(4-methoxyphenyl)dimethylsilane

2-PIPERIDIN-1-YLISONICOTIC ACID 972-PIPERIDIN-1-YLPYRIDIN-4-YLCARBOXYLIC ACID

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

para-cresyl hexanoate

Hexanoic acid, 4-methylphenyl ester

1-(2-Methoxy-phenyl)-piperazin-2-one

Octanoic acid,8-chloro-, ethyl ester

Cinnamaldehyde diethyl acetal

Cinnamaldehyde, diethyl acetal

(4-AMINO-PHENYL)-MORPHOLIN-4-YL-METHANONE

Anthracene, 9-ethyl-

Acetic acid, 2-chloro-,1-methylheptyl ester

4-tert-Butylphenyl glycidyl ether

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

N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone

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

(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde

Naphthalene,1,2-dihydro-4-phenyl-

1-(6-Amino-5-methoxyindolin-1-yl)ethanone

1,2:3,4-Tetrahydrofluoranthene

4,5,9,10-Tetrahydropyrene

2,4-Dimethylphenanthrene

2,7-Dimethylphenanthrene

1,9-Dimethylphenanthrene

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

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

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

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

trimethyl-[(E)-1-phenylprop-1-en-2-yl]oxysilane

Ethyl 4-tert-butylbenzoate

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

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

1-(3-Nitrophenyl)piperidine

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

2-(2,3-dihydro-1H-inden-5-yloxy)acetohydrazide

2-adamantanyl acrylate

pyridazine-4-boronic acid pinacol ester

dicyclopentadiene propionate

(3-(CYCLOPROPYLMETHOXY)-5-METHYLPHENYL)BORONIC ACID

C11H15BO3 (206.1114)

2-[(2-butylphenoxy)methyl]oxirane

3-Pyridinyl(1-pyrrolidinyl)acetic acid

3-(2-methoxyphenyl)piperazin-2-one

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

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

Benzeneacetic acid, 4-(aminoiminomethyl)-, ethyl ester

1,2-Bis(Trimethylsiloxy)Ethane

C8H22O2Si2 (206.1158)

bis(trimethylsilylmethyl) sulfide

C8H22SSi2 (206.0981)

N-(6-FORMYLPYRIDIN-2-YL)PIVALAMIDE

2-(Hydroxymethyl)-12-crown-4

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

3-(1-Piperazinyl)benzoic acid

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

8-Chlorooctyl acetate

Lysine Acetate

IBuprofen Impurity 60

9-hydroxy-2-methyl-3-vinyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Ibuprofen Impurity 7

Ibuprofen Impurity 59

phenethyl pivalate

2-Phenylethyl pivalate

A pivalate ester of 2-phenylethanol.

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

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

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

Ibuprofen Impurity F

3-(4-Nitrophenyl)piperidine

ALPHA-(TERT-BUTYL)HYDROCINNAMIC ACID

4-(3-Methylbutanoyl)phenylboronic acid

C11H15BO3 (206.1114)

5-AMINO-2-METHOXYPYRIDINE-4-CARBOXYLICACID

N-(4-Formyl-3-pyridinyl)-2,2-dimethylpropanamide

DL-Carnitine-d9 (chloride)

C7H7ClD9NO3 (206.1384)

4-Diethoxymethyl-pyridine-2-carbonitrile

4-(Pyrrolidin-3-yloxy)benzamide

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

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

C10H23ClSi (206.1257)

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

1-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE

1-(4-AMINOMETHYL-BENZYL)-PIPERIDIN-4-OL

Pyrimidine, 4-(2-butynyloxy)-6-(1-methylethoxy)- (9CI)

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

1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline

1,1-diphenyl-buta-1,3-diene

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

1-(PYRIDIN-3-YL)PIPERIDINE-4-CARBOXYLIC ACID

L-Lysine acetate

L-Lysine monoacetate

4-Hexoxybenzaldehyde

4-Hexylbenzoic acid

2-Amino-N-cyclohexylethanesulfonamide

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

3-(2-Aminoethyl)-6-methoxy-1H-indol-5-ol

4-Methylpentyl benzoate

Pentyl 4-methylbenzoate

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

Benzoic acid, 4-pentyl-, methyl ester

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

2,2-Dimethyl-3,6,9-trioxa-2-silaundecane

Bis(2,2-dimethylpropyl) disulfide

1-Phenyl-3-trimethylsilyloxy-1-propene

Silane, trimethyl[[1-(phenylmethyl)ethenyl]oxy]-

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

6-Methyl-9-(trimethylsilyl)-9H-purine

C9H14N4Si (206.0988)

N-Octyl-2-hydroxyethyl sulfoxide

C10H22O2S (206.134)

Pheneturide

Ethylphenacemide

29790-29-2

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

AI3-30606

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

AI3-02064

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

(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,6,7-tetrol

C8H16NO5+ (206.1028)

alpha-Monofluoromethylarginine

C7H15FN4O2 (206.1179)

alpha-3-Oxo-damascone

Hexan-2-yl benzoate

Benzoic acid, hex-3-yl ester

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.

3-(2-Aminoethyl)-7-methoxy-1H-indole-5-ol

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

C12H16NO2- (206.1181)

Pentyl 2-methylbenzoate

p-Toluic acid, 3-methylbutyl ester

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

o-Toluic acid, 3-methylbutyl ester

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

Para-isopropenylphenyldimethylmethoxysilane

Acetic acid 1-benzyl-2-methylpropyl ester

Trimethylsilyl 2-(2-methoxyethoxy)acetate

C8H18O4Si (206.0974)

6-Phenyl-4-methylthio-1-hexene

C13H18S (206.1129)

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

3-Methyl-4-phenylpentanoic acid methyl ester

Phenylethylmalonamide

2-Ethyl-2-phenylmalonamide

Dexibuprofen

(S)-(+)-Ibuprofen

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

ethyl 2-benzylbutanoate

alpha-methyl phenethyl butyrate

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

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

methyl 3-(dimethoxymethyl)-4-methoxybutanoate

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

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

(3s,3as)-1h,2h,3h,4h,9h-pyrrolo[2,1-b]quinazoline-3,3a-diol

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

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

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

2,3,4-trihydroxybutyl 3-methylbutanoate

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

2,3-Dimethylphenanthrene

Phenanthrene, 2,3-dimethyl-; 2,3-Dimethyl phenanthrene; 3674-65-5; 2,3-dimethylphenanthrene

{"Ingredient_id": "HBIN004070","Ingredient_name": "2,3-Dimethylphenanthrene","Alias": "Phenanthrene, 2,3-dimethyl-; 2,3-Dimethyl phenanthrene; 3674-65-5; 2,3-dimethylphenanthrene","Ingredient_formula": "C16H14","Ingredient_Smile": "CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2","Ingredient_weight": "206.28","OB_score": "20.11824071","CAS_id": "3674-65-5","SymMap_id": "SMIT12892","TCMID_id": "NA","TCMSP_id": "MOL012086","TCM_ID_id": "8930","PubChem_id": "77243","DrugBank_id": "NA"}

2,5-dimethyl phenanthrene

{"Ingredient_id": "HBIN004658","Ingredient_name": "2,5-dimethyl phenanthrene","Alias": "NA","Ingredient_formula": "C16H14","Ingredient_Smile": "CC1=CC2=C(C=C1)C3=C(C=CC=C3C=C2)C","Ingredient_weight": "206.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8853","PubChem_id": "77244","DrugBank_id": "NA"}

3-keto-β-ionone

{"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"}

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