Exact Mass: 192.071
Exact Mass Matches: 192.071
Found 500 metabolites which its exact mass value is equals to given mass value 192.071,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quinic acid
Quinic acid, also known as quinate, belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3, 4, and 5, as well as a carboxylic acid at position 1. Quinic acid is a sugar acid. It is also a cyclitol, or cyclic polyol. More specifically, quinic acid is a crystalline acid obtained from cinchona bark, coffee beans, tobacco leaves, carrot leaves, apples, peaches, pears, plums, vegetables, etc. Quinic acid can also be made synthetically by hydrolysis of chlorogenic acid. Quinic acid is implicated in the perceived acidity of coffee. (-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid. Quinate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quinic acid is a natural product found in Gamblea innovans, Pterocaulon virgatum, and other organisms with data available. An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed) Quinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=36413-60-2 (retrieved 2024-07-01) (CAS RN: 36413-60-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
Myristicin
Myristicin is an organic molecular entity. It has a role as a metabolite. Myristicin is a natural product found in Chaerophyllum azoricum, Peperomia bracteata, and other organisms with data available. Myristicin is found in anise. Myristicin is a constituent of dill, nutmeg, parsley and many other essential oils. May be responsible for psychotic effects of nutmeg at large doses Myristicin, 3-methoxy,4,5-methylendioxy-allylbenzene, is a natural organic compound present in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill. Myristicin is a naturally occurring insecticide and acaricide with possible neurotoxic effects on dopaminergic neurons[citation needed]. It has hallucinogenic properties at doses much higher than used in cooking. Myristicin is a weak inhibitor of monoamine oxidase.Myristicin has been shown to exhibit apoptotic and hepatoprotective functions (A7836, A7837).Myristicin belongs to the family of Benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Myristicin is found in anise. Myristicin is a constituent of dill, nutmeg, parsley and many other essential oils. May be responsible for psychotic effects of nutmeg at large doses Myristicin, 3-methoxy,4,5-methylendioxy-allylbenzene, is a natural organic compound present in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill. Myristicin is a naturally occurring insecticide and acaricide with possible neurotoxic effects on dopaminergic neurons[citation needed]. It has hallucinogenic properties at doses much higher than used in cooking. Myristicin is a weak inhibitor of monoamine oxidase Constituent of dill, nutmeg, parsley and many other essential oils. May be responsible for psychotic effects of nutmeg at large doses Myristicine ?act as a serotonin receptor antagonist, a weak monamine oxidase (MAO) inhibitor. Myristicine is the main component of nutmeg essential oil from Myristica fragrans?Houtt. Myristicine abuse produce hallucinogenic effects, organ damage, deliriumand others[1]. Myristicine is an orally bioavailable serotonin receptor antagonist and weak monoamine oxidase (MAO) inhibitor. Myristicine also exerts anti-cancer effects on gastric cancer cells by inhibiting the EGFR/ERK signaling pathway. Myristicine is the main component of nutmeg essential oil and has anti-cancer, anti-proliferative, antibacterial, anti-inflammatory and apoptosis-inducing effects. Myristicine abuse can produce hallucinogenic effects, organ damage, etc[1][2][3][4]. Myristicine is an orally bioavailable serotonin receptor antagonist and weak monoamine oxidase (MAO) inhibitor. Myristicine also exerts anti-cancer effects on gastric cancer cells by inhibiting the EGFR/ERK signaling pathway. Myristicine is the main component of nutmeg essential oil and has anti-cancer, anti-proliferative, antibacterial, anti-inflammatory and apoptosis-inducing effects. Myristicine abuse can produce hallucinogenic effects, organ damage, etc[1][2][3][4]. Myristicine ?act as a serotonin receptor antagonist, a weak monamine oxidase (MAO) inhibitor. Myristicine is the main component of nutmeg essential oil from Myristica fragrans?Houtt. Myristicine abuse produce hallucinogenic effects, organ damage, deliriumand others[1].
Isoshinanolone
Isoshinanolone is a member of tetralins. Isoshinanolone is a natural product found in Ancistrocladus heyneanus, Dioncophyllum thollonii, and other organisms with data available.
5-methoxy-6-(2-propenyl)-1,3-benzodioxole
Flavouring compound [Flavornet]
cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene
Dehydrozingerone
Dehydrozingerone is a flavouring ingredien Flavouring ingredient
trans-Coumaryl acetate
A phenylpropanoid that is trans-p-coumaryl alcohol in which the hydrogen from the allylic hydroxy group is replaced by an acetyl group.
Sodium ortho-phenylphenate
D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
2-Epi-5-epi-valiolone
A member of the class of cyclitols that is valiolone in which the stererocentres at positions 2 and 5 have been inverted.
5-Epi-valiolone
A member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted.
2-epi-Valiolone
A cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S).
1'-Hydroxychavicol acetate
1-Hydroxychavicol acetate is found in herbs and spices. 1-Hydroxychavicol acetate is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 1-Hydroxychavicol acetate is found in herbs and spices.
Isomyristicin
Isomyristicin is found in dill. Isomyristicin is found in dill, parsley and nutmeg oils. Found in dill, parsley and nutmeg oils
Alanylcysteine
Alanylcysteine is a dipeptide composed of alanine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methyl trans-p-methoxycinnamate
Methyl trans-p-methoxycinnamate is found in herbs and spices. Methyl trans-p-methoxycinnamate is isolated from Kaempferia galanga (galangal
(R)-Shinanolone
(R)-Shinanolone is found in fruits. (R)-Shinanolone is isolated from Diospyros kaki (Japanese persimmon
Serylserine
Serylserine is a dipeptide composed of two serine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Cysteinyl-Alanine
Cysteinyl-Alanine is a dipeptide composed of cysteine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Allyl phenoxyacetate
Allyl phenoxyacetate is a flavouring ingredien Flavouring ingredient
Ethyl phenylglycidate
Ethyl 3-phenylglycidate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") Flavouring ingredient
(Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole
(Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole is found in herbs and spices. (Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole is present in nutmeg (Myristica fragrans Present in nutmeg (Myristica fragrans). (Z)-4-Methoxy-6-(1-propenyl)-1,3-benzodioxole is found in herbs and spices.
2-(Methylthiomethyl)-3-phenyl-2-propenal
2-(Methylthiomethyl)-3-phenyl-2-propenal is a flavouring ingredient. Flavouring ingredient
Isoeugenol formate
Isoeugenol formate is a flavouring ingredient. Flavouring ingredient
Eugenyl formate
Eugenyl formate is a flavouring ingredient. Flavouring ingredient
Ethyl 3-oxo-3-phenylpropanoate
Ethyl 3-oxo-3-phenylpropanoate is a flavouring ingredient. Flavouring ingredient
Benzyl acetoacetate
Benzyl acetoacetate is a flavouring ingredient. Flavouring ingredient
4-(3,4-Methylenedioxyphenyl)-2-butanone
4-(3,4-Methylenedioxyphenyl)-2-butanone is used in food flavouring. It is used in food flavouring
Propan-2-yl 2-hydroxy-4-methylsulfanylbutanoate
10-Hydroxy-2-oxabicyclo[6.2.2]dodeca-1(10),8,11-trien-3-one
Isopropyl tartaric acid
Isopropyl tartaric acid belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isopropyl tartaric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Isopropyl tartaric acid can be found in oat, which makes isopropyl tartaric acid a potential biomarker for the consumption of this food product.
Dihydrobenzofuran
Dihydrobenzofuran, also known as ethyl 2,3-dihydrobenzofuran-2-carboxylate, is a member of the class of compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. Dihydrobenzofuran is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydrobenzofuran can be found in fenugreek, which makes dihydrobenzofuran a potential biomarker for the consumption of this food product.
coumaryl acetate
Coumaryl acetate is also known as coumaryl acetic acid. Coumaryl acetate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coumaryl acetate can be found in a number of food items such as tinda, babassu palm, german camomile, and hard wheat, which makes coumaryl acetate a potential biomarker for the consumption of these food products.
3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Quinic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
5-hydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
(3S*,4S*)-3,4-dihydroxy-7-methyl-3,4-dihydro-1(2H)-naphthalenone
(-)-(1S,2R,5S,6R)-asperpentyn|(-)-Asperpentyn|(1R,2R,3S,4S)-2,3-Epoxy-6-(3-methylbut-3-en-1-ynyl)-5-cyclohexen-1,4-diol|aspepentyn
(2S,4S)-4,8-dihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|isoplumbagolone
Me ester-(S,Z)-8-Hydroxy-2-decene-4,6-diynoic acid
10-Hydroxy-dec-2t-en-4,6-diinsaeure-methylester|10-hydroxy-dec-2t-ene-4,6-diynoic acid methyl ester
3,4-Dihydro-4,5-dihydroxy-2-methyl-1(2H)-naphthalenone
4-hydroxy-3-methyl-6-((E,E)-1,3-pentadienyl)-2H-pyran-2-one|trichopyrone
Methyl 2-methyl-2,3-dihydrobenzofuran-7-carboxylate
1,3-O-(1-Carboxy-aethyliden)-L-erythrit|1,3-O-<1-Carboxy-aethyliden>-L-erythrit
Me glycoside,Me ester-beta-D-Furanose-Riburonic acid
b-D-altro-2-Heptulopyranose,2,7-anhydro-
ethyl coumarate
Ethyl p-coumarate is a cinnamate ester. (E)-Ethyl 3-(4-hydroxyphenyl)acrylate is a natural product found in Apis with data available. p-Coumaric Acid Ethyl Ester is the ethyl ester of p-Coumaric acid[1]. p-Coumaric Acid is a potential immunosuppressive agent in treating autoimmune inflammatory diseases like rheumatoid arthritis[1]. p-Coumaric Acid Ethyl Ester is the ethyl ester of p-Coumaric acid[1]. p-Coumaric Acid is a potential immunosuppressive agent in treating autoimmune inflammatory diseases like rheumatoid arthritis[1].
1,3-Dimethylpteridine-2,4-dione
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3104
D-(-)-Quinic acid
D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
ETHYL-p-COUMARATE
p-Coumaric Acid Ethyl Ester is the ethyl ester of p-Coumaric acid[1]. p-Coumaric Acid is a potential immunosuppressive agent in treating autoimmune inflammatory diseases like rheumatoid arthritis[1]. p-Coumaric Acid Ethyl Ester is the ethyl ester of p-Coumaric acid[1]. p-Coumaric Acid is a potential immunosuppressive agent in treating autoimmune inflammatory diseases like rheumatoid arthritis[1].
(2E)-2-[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
4H-1,3-Benzodioxin-7-carboxaldehyde,2,2-dimethyl-(9CI)
5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
Urea, (2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)- (9CI)
7-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2H-Benzimidazole-2-thione,1,3-dihydro-1-(1-methylethyl)-(9CI)
2-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyrazine
1H-Benzimidazole-1-carboxylicacid,2,3-dihydro-2-oxo-,hydrazide(9CI)
1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)PROPAN-2-ONE
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-amino-3-methyl- (7CI)
2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
(1R,2S)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
(4,5-DICHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)METHYL2-CHLORO-6-FLUOROBENZOATE
5-(4-Fluoro-phenyl)-1-methyl-1,2-dihydropyrazol-3-one
2-hydroxyethyl-tris(trideuteriomethyl)azanium,bromide
1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLICACID
7-Amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
4H-1,3-Benzodioxin-6-carboxaldehyde,2,2-dimethyl-(9CI)
2,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide
4,9-dihydrodipyrazolo[1,3-b:1,3-e]pyrazine-4,9-diol
2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid
Ethyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
2-NAPHTHALENECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-
2,3-DIHYDRO-6,8-DIMETHYL-4H-1-BENZOTHIOPYRAN-4-ONE
5-(aminomethyl)-4-(trifluoromethyl)pyrimidin-2-amine
2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
3,4-diethoxy-2,5-dihydro-1,2,5-thiadiazole 1-oxide
2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER
5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
1H-Benzimidazole-2-carboxaldehyde,1-ethyl-5-fluoro-(9CI)
methyl 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
8-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
1H-Benzimidazole,1-methyl-2-[(methylthio)methyl]-(9CI)
7-HYDROXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
6-Amino-2-azaspiro[3.3]heptane-6-carboxylic acid HCl
2-(HYDROXY-PHENYL-METHYL)-ACRYLIC ACID METHYL ESTER
1-(4-FLUORO-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
1-(3,6-DIBROMO-CARBAZOL-9-YL)-3-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-PROPAN-2-OL
5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE
4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)phenol,hydrochloride
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
1-NAPHTHALENECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-
(1R,2R)-2-(Hydroxymethyl)-1-phenylcyclopropanecarboxylic acid
2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester
8-Hydroxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
(2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
(2S,3S,4R,5R)-6-(Hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
(2E,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinone
Myristicin
Myristicine ?act as a serotonin receptor antagonist, a weak monamine oxidase (MAO) inhibitor. Myristicine is the main component of nutmeg essential oil from Myristica fragrans?Houtt. Myristicine abuse produce hallucinogenic effects, organ damage, deliriumand others[1]. Myristicine is an orally bioavailable serotonin receptor antagonist and weak monoamine oxidase (MAO) inhibitor. Myristicine also exerts anti-cancer effects on gastric cancer cells by inhibiting the EGFR/ERK signaling pathway. Myristicine is the main component of nutmeg essential oil and has anti-cancer, anti-proliferative, antibacterial, anti-inflammatory and apoptosis-inducing effects. Myristicine abuse can produce hallucinogenic effects, organ damage, etc[1][2][3][4]. Myristicine is an orally bioavailable serotonin receptor antagonist and weak monoamine oxidase (MAO) inhibitor. Myristicine also exerts anti-cancer effects on gastric cancer cells by inhibiting the EGFR/ERK signaling pathway. Myristicine is the main component of nutmeg essential oil and has anti-cancer, anti-proliferative, antibacterial, anti-inflammatory and apoptosis-inducing effects. Myristicine abuse can produce hallucinogenic effects, organ damage, etc[1][2][3][4]. Myristicine ?act as a serotonin receptor antagonist, a weak monamine oxidase (MAO) inhibitor. Myristicine is the main component of nutmeg essential oil from Myristica fragrans?Houtt. Myristicine abuse produce hallucinogenic effects, organ damage, deliriumand others[1].
Dowicide A
Agricultural fungicide, disinfectant, food preservative, mould inhibitor for apples
(+)-Quinic acid
The (+)-enantiomer of quinic acid.
2-[[(2R)-2-azaniumyl-3-methylsulfanylpropanoyl]amino]acetate
Daedalin A
A chromenol that is 2H-chromen-6-ol substituted at position 2 by a hydroxymethyl and a methyl group ( the 2R stereoisomer). Isolated from the mycelial culture broth of Daedalea dickinsii, it exhibits tyrosinase inhibitory and radical scavenging activities.
N(6)-carbamoylmethyladenine
A nucleobase analogue that is adenine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.
N-hydroxydihomomethioninate
Conjugate base of N-hydroxydihomomethionine.
2,2-Dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-7-ol
1H-Pyrrolo[2,1-f]purine-2,4(3H,6H)-dione, 7,8-dihydro-
(E)-1-Chlorodimethylsilyl-2-trimethylsilylethylene
Quinic_acid
(-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid. Quinate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quinic acid is a natural product found in Gamblea innovans, Pterocaulon virgatum, and other organisms with data available. An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed) D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
Sodium [1,1-biphenyl]-2-olate
D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
7-methylmellein
An isochromane that is mellein bearing an additional methyl substituent at position 7.
phenylacetylglycine(1-)
A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of phenylacetylglycine. The major species of phenylacetylglycine at pH 7.3.
5-hydroxy-4-(hydroxymethyl)-2-methyl-1,3-dioxane-2-carboxylic acid
(2r)-5-methoxy-2-methyl-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-7-(prop-2-en-1-yl)-2h,7h,7ah-cyclopenta[b]pyran-6-one
(3r,4s)-3,4-dihydroxy-7-methyl-3,4-dihydro-2h-naphthalen-1-one
(4s)-5-hydroxy-4-methoxy-3,4-dihydro-2h-naphthalen-1-one
3-(3-methylbut-3-en-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(3r,4s)-4,8-dihydroxy-3-methyl-3,4-dihydro-2h-naphthalen-1-one
3-(4-hydroxyphenyl)-2-propenoic acid,9ci; (e)-form,me ether,me ester
{"Ingredient_id": "HBIN007483","Ingredient_name": "3-(4-hydroxyphenyl)-2-propenoic acid,9ci; (e)-form,me ether,me ester","Alias": "NA","Ingredient_formula": "C11H12O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "3901/7/3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8484","PubChem_id": "NA","DrugBank_id": "NA"}
(4r)-5-hydroxy-4-methoxy-α-tetralone
{"Ingredient_id": "HBIN010865","Ingredient_name": "(4r)-5-hydroxy-4-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O3","Ingredient_Smile": "COC1CCC(=O)C2=C1C(=CC=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10460","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-5-hydroxy-4-methoxy-1-tetralone
{"Ingredient_id": "HBIN011614","Ingredient_name": "(?)-5-hydroxy-4-methoxy-1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O3","Ingredient_Smile": "COC1CCC(=O)C2=C1C(=CC=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10459","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer benzenoid pmv70p691-57
{"Ingredient_id": "HBIN016310","Ingredient_name": "anticancer benzenoid pmv70p691-57","Alias": "NA","Ingredient_formula": "C11H12O3","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1385","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
