Exact Mass: 218.0667
Exact Mass Matches: 218.0667
Found 326 metabolites which its exact mass value is equals to given mass value 218.0667,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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).
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
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
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.
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
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
9--nona-4,6-dien-8-in-3-ol|9-thiophen-2-yl-nona-4,6-dien-8-yn-3-ol
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
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.
Propanedioic acid,2-(3-phenyl-2-propen-1-ylidene)-
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
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
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
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
3-AMINO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID AMIDE
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
methyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate
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
ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
3-Ethyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
Propanenitrile,3-[1-(2-benzothiazolyl)hydrazino]-(9CI)
N-[(2-chlorophenyl)methyl]pyridin-2-amine,dihydrochloride
N-(3-HYDROXYPHENYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylic acid
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
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
Methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
Methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
(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
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.
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
An imidazolidinone that is parabanic acid substituted by a 2-phenylethyl group at position 1.
2,2,3-trihydroxydiphenyl ether
Diphenyl ether in which the hydrogens at the 2, 3, and 2 positions are substituted by hydroxy groups.
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].
(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"}
