Exact Mass: 218.05431819999998
Exact Mass Matches: 218.05431819999998
Found 500 metabolites which its exact mass value is equals to given mass value 218.05431819999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Hydroxypyrene
1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-hydroxypyrene is an accepted biomarker of carcinogenic Polycyclic aromatic hydrocarbons (PAH) dose(PMID: 15159317). PAH are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers. (PMID: 15247141) [HMDB] 1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-Hydroxypyrene is an accepted biomarker of carcinogenic polycyclic aromatic hydrocarbons (PAHs) dose (PMID: 15159317). PAHs are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers (PMID: 15247141). CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5366; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5365; ORIGINAL_PRECURSOR_SCAN_NO 5363 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5373; ORIGINAL_PRECURSOR_SCAN_NO 5371 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5353; ORIGINAL_PRECURSOR_SCAN_NO 5351 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5367; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5334; ORIGINAL_PRECURSOR_SCAN_NO 5333 CONFIDENCE standard compound; INTERNAL_ID 44 D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
4-Methylumbelliferyl acetate
Isolated from fenugreek (Trigonella foenum-graecum). 4-Methylumbelliferyl acetate is found in herbs and spices, green vegetables, and fenugreek. 4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum).
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
C12H10O2S (218.04014800000002)
Baldrinal
Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].
2,7-dihydroxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.
Piperic acid
obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). Piperic acid is found in herbs and spices. Piperic acid is obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others.
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide Root constituent of Diospyros kaki (Japanese persimmon)
Liqcoumarin
Liqcoumarin is found in herbs and spices. Liqcoumarin is isolated from Glycyrrhiza glabra (licorice
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils. (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils and herbs and spices.
Cysteinyl-Proline
Cysteinyl-Proline is a dipeptide composed of cysteine and proline. 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.
Prolyl-Cysteine
Prolyl-Cysteine is a dipeptide composed of proline 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole is found in brassicas. Intermediate in the enzymic hydrolysis of 3-Indolylmethyl glucosinolate
Vasicinolone
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)- is a natural product found in Justicia adhatoda with data available.
clorofene
D000890 - Anti-Infective Agents CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5300; ORIGINAL_PRECURSOR_SCAN_NO 5299 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5268 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5193 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5224; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5222; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; ORIGINAL_PRECURSOR_SCAN_NO 5296 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5296 CONFIDENCE standard compound; INTERNAL_ID 2366 CONFIDENCE standard compound; INTERNAL_ID 4230 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8634 CONFIDENCE standard compound; INTERNAL_ID 8140
4,4-Thiodiphenol
C12H10O2S (218.04014800000002)
CONFIDENCE standard compound; INTERNAL_ID 8048
Diphenyl sulfone
C12H10O2S (218.04014800000002)
A sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera.
Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
2-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-
Metallibure
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(+-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(+-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|(-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol
4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-
7-acetoxy-8-methyl-2H-chromen-2-one|7-acetoxy-8-methyl-chromen-2-one|7-Acetoxy-8-methyl-cumarin
(2E)-3-(5-methoxybenzofuran-6-yl)prop-2-enoic acid|lenceolune C
1,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetonitrile
(5S)-5-(1,8-dihydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|1,8-dihydroxy-3,4-dihydrovernoniyne
(4S,5R)-4-hydroxy-5-(8-hydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4,8-dihydroxy-3,4-dihydrovernoniyne
2,8-Decadiene-4,6-diynedioic acid-Di-Me ester|Deca-2,8-dien-4,6-diindisaeure-dimethylester|deca-2,8-diene-4,6-diynedioic acid dimethyl ester|Deca-2t,8t-dien-4,6-diindisaeure-dimethylester|deca-2t,8t-diene-4,6-diynedioic acid dimethyl ester|Decadien-2,8-diin-4,6-disaeure-1,10-dimethylester
2-Methyl-3-(hydroxymethyl)-5-hydroxy-1,4-naphthoquinone
Sodium_gluconate
Sodium gluconate is an organic sodium salt having D-gluconate as the counterion. It has a role as a chelator. It contains a D-gluconate. Sodium Gluconate is the sodium salt of gluconic acid with chelating property. Sodium gluconate chelates and forms stable complexes with various ions, preventing them from engaging in chemical reactions. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
Diphenylsulfone
C12H10O2S (218.04014800000002)
CONFIDENCE standard compound; INTERNAL_ID 8087
Chlorophene
CONFIDENCE Reference Standard (Level 1); Source chlorophene_28102013_09_HCD70.txt
4-Methylumbelliferyl acetate
An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
Cys-pro
A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage.
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4(1H)-Pyrimidinone,2,3-dihydro-5-(phenylmethyl)-2-thioxo-
Propanedioic acid,2-(3-phenyl-2-propen-1-ylidene)-
3,3,3-trifluoropropyltrimethoxysilane
C6H13F3O3Si (218.05860239999998)
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
methyl 4-phenylthiophene-3-carboxylate
C12H10O2S (218.04014800000002)
1-Methyl-3-[3-(trifluoromethyl)phenyl]urea
C9H9F3N2O (218.06669399999998)
3-(3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
3-(3-METHYL-5-OXO-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZOIC ACID
ethyl 2-oxo-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
ethyl 2-oxo-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetate
1-amino-2-nitroso-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one,hydrochloride
(1R,2R,4R)-2-BROMO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
4-(Thien-2-ylmethyl)benzoic acid
C12H10O2S (218.04014800000002)
Ethanone, 2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)- (9CI)
3-fluoro-4-(Methylsulfonylamino)benzylamine
C8H11FN2O2S (218.05252380000002)
2H-1-Benzopyran-5-carboxylicacid,6-methyl-2-oxo-,methylester(9CI)
4-hydroxy-[1,6]naphthyridine-3-carboxylic acid ethyl ester
2-Oxo-6-phenyl-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
6-OXO-1-PHENYL-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
Ethyl 1-formylimidazo[1,5-a]pyridine-3-carboxylate
3-amino-N-methyl-5-(trifluoromethyl)benzamide
C9H9F3N2O (218.06669399999998)
2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
C9H9F3N2O (218.06669399999998)
Acifran
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent
5-(4-Methoxyphenyl)thiophene-2-carboxaldehyde
C12H10O2S (218.04014800000002)
7-FLUORO-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
2-Pyridinemethanol,3,5-dimethyl-4-nitro-, hydrochloride
2,4,6-trimethyl-4-phenyl-1,3-dioxane
Fragrance ingredient with a grapefruit-like aroma
5-(2-methoxyphenyl)thiophene-2-carbaldehyde
C12H10O2S (218.04014800000002)
3-AMINO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID AMIDE
C9H9F3N2O (218.06669399999998)
2-methoxy-5-thiophen-2-ylbenzaldehyde
C12H10O2S (218.04014800000002)
5-Acetomino-2-amino Benzotrifluoride
C9H9F3N2O (218.06669399999998)
5-Amino-3-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
5-(3-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
METHYL 2-CYANO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
5,6-DIHYDRO-9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
methyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate
4-Amino-2-(trifluoromethyl)acetanilide
C9H9F3N2O (218.06669399999998)
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine hydrochloride
1-ALLYL-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
2,3-Dihydro-5-chloro-1H-cyclopenta[b]quinolin-9-amine
METHYL4-PHENYLTHIOPHENE-2-CARBOXYLATE
C12H10O2S (218.04014800000002)
ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
3-Ethyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
2-amino-N-[3-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
3-HYDROXY-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBALDEHYDE
C12H10O2S (218.04014800000002)
2-(4-fluoronaphthalen-1-yl)propanoic acid
C13H11FO2 (218.07430380000002)
Propanenitrile,3-[1-(2-benzothiazolyl)hydrazino]-(9CI)
2-[4-(4,5-Dihydro-1,3-thiazol-2-yl)phenoxy]acetonitrile
Thiazolo[5,4-g]quinolin-6(5H)-one, 7,8-dihydro-2-methyl- (9CI)
N-[(2-chlorophenyl)methyl]pyridin-2-amine,dihydrochloride
4-Methyl-5-phenylthiophene-2-carboxylic acid
C12H10O2S (218.04014800000002)
N-(3-HYDROXYPHENYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
DL-Lysine-1,2-13C2 dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
2-amino-6-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylic acid
tert-Butyl (5-fluorothiazol-2-yl)carbamate
C8H11FN2O2S (218.05252380000002)
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
2-CHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE, , HYDROCHLORIDE
Benzylthiouracil
H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils
6-amino-2-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
2-[(2-FURYLMETHYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
2-[2-(trifluoromethyl)phenyl]acetohydrazide
C9H9F3N2O (218.06669399999998)
methyl 2-oxo-5,6-trimethylene-3-cyano-1,2-dihydropyridine-4-carboxylate
3-(4-methoxy-phenyl)-1h-pyrazole-4-carboxylic acid
7-methoxy-4-oxo-1,4-dihydro-6-quinolinecarboxamide
5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID
C12H10O2S (218.04014800000002)
3-Pyridinesulfonamide,1-ethoxy-1,2-dihydro-2-oxo-(9CI)
Methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
5-(3-METHOXY-PHENYL)-THIOPHENE-2-CARBALDEHYDE
C12H10O2S (218.04014800000002)
Methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
5-(4-Methylphenyl)thiophene-2-boronic acid
C11H11BO2S (218.05727760000002)
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
3-[1-(1,3-BENZOTHIAZOL-2-YL)HYDRAZINO]-PROPANENITRILE
C7H11ClN4S (218.03929159999998)
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
1,4-Dioxane-2,5-dione;1,3-dioxan-2-one
D001697 - Biomedical and Dental Materials
(2Z,4E)-2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Isochavicinic acid
Piperic acid, also known as piperate, is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Piperic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Piperic acid can be found in herbs and spices and pepper (spice), which makes piperic acid a potential biomarker for the consumption of these food products. Piperic acid is a chemical often obtained by the base-hydrolysis of the alkaloid piperine from black pepper, followed by acidification of the corresponding salt. Piperic acid is an intermediate in the synthesis of other compounds such as piperonal, and as-such may be used to produce fragrances, perfumes flavorants and drugs as well as other useful compounds .
4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3,7-Dihydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
3-Carboxymethyl-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4-(4-Fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine
Sodium gluconate
Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
O-succinyl-L-homoserinate(1-)
An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
C12H10O2S (218.04014800000002)
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
An imidazolidinone that is parabanic acid substituted by a 2-phenylethyl group at position 1.
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
C7H5F3N4O (218.04154359999998)
(2R)-2-acetamido-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
C8H12NO4S- (218.04870119999998)
3-(5-Hydroxyindol-3-yl)pyruvate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
2,2,3-trihydroxydiphenyl ether
Diphenyl ether in which the hydrogens at the 2, 3, and 2 positions are substituted by hydroxy groups.
(1S,2R)-1,2-dihydrodibenzothiophene-1,2-diol
C12H10O2S (218.04014800000002)
(4-methoxyindol-3-ylmethyl)isothiocyanate
A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively.
1-HYDROXYPYRENE
D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
3-(isothiocyanatomethyl)-1-methoxyindole
A member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively.
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
(E,E)-Piperic Acid
A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).
3-(hydroxymethyl)-7-(methylamino)isoquinoline-5,8-dione
3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate
{"Ingredient_id": "HBIN002060","Ingredient_name": "1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39514","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy juglone
{"Ingredient_id": "HBIN008514","Ingredient_name": "3-ethoxy juglone","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CCOC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40031","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15399877","DrugBank_id": "NA"}
5-acetyl-7-hydroxy-2-methylbenzopyran-γ-one
{"Ingredient_id": "HBIN011363","Ingredient_name": "5-acetyl-7-hydroxy-2-methylbenzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14147","TCMID_id": "423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}