Exact Mass: 206.1127
Exact Mass Matches: 206.1127
Found 500 metabolites which its exact mass value is equals to given mass value 206.1127,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phenylethylmalonamide
CONFIDENCE standard compound; INTERNAL_ID 2499
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
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
2-(3-Pentylphenyl)acetic acid
C78273 - Agent Affecting Respiratory System
Amyl phenylacetate
Amyl phenylacetate is a flavouring ingredient. Flavouring ingredient
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.
Eremopetasinorone A
Eremopetasinorone B is found in green vegetables. Eremopetasinorone B is a constituent of Petasites japonicus (sweet coltsfoot)
Benzyl hexanoate
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
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
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
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]
3-hydroxy-3-(2-aminophenyl)-N-methyl-2 pyrrolidone
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
(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
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al
3,4,5,6-Tetrahydro-2H-[1,2]bipyridinyl-3-carboxylic acid
Benzaldehyde, 3-(1,1-dimethylethyl)-4-ethoxy- (9CI)
Benzaldehyde, 5-(1,1-dimethylethyl)-2-ethoxy- (9CI)
Pyrido[3,2-d][1,3]oxazepine, 4-ethoxy-4,5-dihydro-2-methyl- (9CI)
(1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
METHYL 6-AMINO-3,4-DIHYDRO-1(2H)-QUINOLINECARBOXYLATE
METHYL-(4-METHYL-FURAZAN-3-YLMETHYL)-AMINE HYDROCHLORIDE
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid
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
1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBOXYLIC ACID
2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
4-(AMINOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE
Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-
1,3,5-Triazine-2,4,6-triamine,N2,N2-di-2-propen-1-yl-
2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
2-PIPERIDIN-1-YLISONICOTIC ACID 972-PIPERIDIN-1-YLPYRIDIN-4-YLCARBOXYLIC ACID
3-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone hydrochloride
2,2,7,7-TETRAMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde
N,N-dimethyl-2-(4-piperidinyl)acetamide(SALTDATA: 2HCl)
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
Ethyl 4-tert-butylbenzoate
A benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol.
7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
(3-(CYCLOPROPYLMETHOXY)-5-METHYLPHENYL)BORONIC ACID
1-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]ethanone
2-(HYDROXY-P-TOLYL-METHYL)-ACRYLIC ACID METHYL ESTER
Benzeneacetic acid, 4-(aminoiminomethyl)-, ethyl ester
methyl 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
9-hydroxy-2-methyl-3-vinyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
10-fluoro-2,3,4,6,7,11b-hexahydro-1h-pyrazino[2,1-a]isoquinoline
1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenecarboxylic acid
1-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE
2-(5-methoxy-2,3-dihydro-1H-inden-2-yl)acetic acid
Pyrimidine, 4-(2-butynyloxy)-6-(1-methylethoxy)- (9CI)
2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
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
2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol
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
6Z-0282
(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].
Aceteugenol
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.
93-29-8
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].
(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.
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
6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
4-Hydroxy-3-prenylbenzoic acid
A natural product found in Rubia yunnanensis.
3-dimethylallyl-4-hydroxybenzoic acid
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3.
(4r)-3,5,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
(3ar,7s,8as)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-carbaldehyde
(1r,3s,4r,6s)-4,6-bis(methylamino)cyclohexane-1,2,3,5-tetrol
7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one
6-(2-hydroxyethyl)-5,7-dimethyl-3h-2-benzofuran-1-one
(3e)-4-(4-hydroxy-3-methoxyphenyl)-3-methylbut-3-en-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
5-(hydroxymethyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol
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
(2r)-7-hydroxy-2,6,8-trimethyl-2,3-dihydro-1-benzopyran-4-one
6-[(2e)-but-2-en-2-yl]-3-(2-methylpropyl)pyran-2-one
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-hydroxy-2-methyl-5-(3-methyl-2-butenyl)-benzo-1,4-quinone
{"Ingredient_id": "HBIN008640","Ingredient_name": "3-hydroxy-2-methyl-5-(3-methyl-2-butenyl)-benzo-1,4-quinone","Alias": "NA","Ingredient_formula": "C12H14O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10507","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","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"}
5,7-Dimethoxy lavanone
{"Ingredient_id": "HBIN011323","Ingredient_name": "5,7-Dimethoxy lavanone","Alias": "NA","Ingredient_formula": "C12H14O3","Ingredient_Smile": "COC1=C(C=C2C(=C1)CCCC2=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42407","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3-butylphthalide
{"Ingredient_id": "HBIN011606","Ingredient_name": "5-hydroxy-3-butylphthalide","Alias": "NA","Ingredient_formula": "C12H14O3","Ingredient_Smile": "CCCCC1C2=C(C=CC=C2O)C(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32507","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arteamisinine i
{"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"}
