Exact Mass: 202.0122
Exact Mass Matches: 202.0122
Found 500 metabolites which its exact mass value is equals to given mass value 202.0122,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bergaptol
Bergaptol is a member of psoralens and a 5-hydroxyfurocoumarin. It is a conjugate acid of a bergaptol(1-). Bergaptol is a natural product found in Citrus canaliculata, Hansenia forbesii, and other organisms with data available. Bergaptol is a secondary metabolite of psoralen which has been hydroxylated by liver enzymes during phase I metabolism. Bergaptol is a biomarker for the consumption of citrus fruits. Present in various citrus subspecies Bergaptol is found in many foods, some of which are common hazelnut, hazelnut, alaska blueberry, and groundcherry. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties. Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties.
Xanthotoxol
Isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip). Xanthotoxol is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and fig. Xanthotoxol is found in fats and oils. Xanthotoxol is isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip Xanthotoxol is an 8-hydroxyfurocoumarin. Xanthotoxol is a natural product found in Citrus canaliculata, Prangos tschimganica, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Xanthotoxol (8-Hydroxypsoralen) It is a kind of fragrant bean substance, and it is a CYP450 inhibitor. Xanthotoxol has anti-inflammatory, anti-inflammatory, and 5-HT antagonistic and protective effects. Xanthotoxol inhibited CYP3A4 sum CYP1A2 IC50s separation 7.43 μM sum 27.82 μM. Xanthotoxol can pass through MAPK and NF-κB, inhibiting inflammation[1][2][3][4]. Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.
1-Chloro-2,4-dinitrobenzene
Dinitrochlorobenzene, also known as 4-chloro-1,3-dinitrobenzene or cdnb, is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. Dinitrochlorobenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dinitrochlorobenzene can be found in a number of food items such as black radish, american butterfish, hedge mustard, and other cereal product, which makes dinitrochlorobenzene a potential biomarker for the consumption of these food products. Dinitrochlorobenzene is produced commercially by the nitration of p-nitrochlorobenzene with a mixture of nitric and sulfuric acids. Other methods afford the compound less efficiently include the chlorination of dinitrobenzene, nitration of o-nitrochlorobenzene and the dinitration of chlorobenzene . D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant CONFIDENCE standard compound; INTERNAL_ID 41 D009676 - Noxae > D007509 - Irritants
4-Carboxy-2-hydroxy-cis,cis-muconate
Benzoyl phosphate
This compound belongs to the family of Benzoic Acid and Derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring
Chlorphenesin
Chlorphenesin is only found in individuals that have used or taken this drug. It is a centrally acting muscle relaxant. Its mode of action is unknown. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1203)The mechanism of action of chlorphenesin is not well defined, and its effects are measured mainly by subjective responses. It is known that chlorphenesin acts in the central nervous system (CNS) rather than directly on skeletal muscle. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D002491 - Central Nervous System Agents
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate can be found in soy bean, which makes 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate a potential biomarker for the consumption of this food product. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans. 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (CAS: 255828-59-2), also known as OHCU, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Outside of the human body, 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline has been detected, but not quantified, in soybeans. This could make 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline a potential biomarker for the consumption of these foods. 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline is part of the purine metabolism pathway. It is a substrate for putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase.
1,4-Dioxo-1,4-dihydronaphthalene-2-carboxylic acid
4-Chloro-3,5-dimethoxybenzyl alcohol
4-Chloro-3,5-dimethoxybenzyl alcohol is found in mushrooms. 4-Chloro-3,5-dimethoxybenzyl alcohol is isolated from the mycelium of Hericium erinaceum (lions mane). Isolated from the mycelium of Hericium erinaceum (lions mane). 4-Chloro-3,5-dimethoxybenzyl alcohol is found in mushrooms.
4-Ethylphenylsulfate
4-ethylphenylsulfate is also known as 4-Ethylphenylsulphuric acid. 4-ethylphenylsulfate is considered to be practically insoluble (in water) and acidic
Ethyl aconitate
Ethyl aconitate is a flavouring ingredient. Prepd. as mixture of mono-, di- and triesters by acid-catalysed esterification of aconitic acid with EtOH or by heating
3-ethylphenyl Sulfate
3-ethylphenyl Sulfate is also known as 3-Ethylphenol sulfuric acid. 3-ethylphenyl Sulfate is considered to be practically insoluble (in water) and acidic
Succinylacetoacetate
Succinylacetoacetate is an intermediate that arises due to the incomplete breakdown of tyrosine (PMID: 7171740). It is produced as a result of defects in the enzyme called fumarylacetoacetase. Fumarylacetoacetase normally catalyzes the hydrolysis of 4-fumarylacetoacetate into fumarate and acetoacetate. If present in sufficiently high levels, succinylacetoacetate can act as an acidogen, an oncometabolite, and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. An oncometabolite is an endogenous metabolite that causes cancer. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of succinylacetoacetate are associated with tyrosinemia type I. Type I tyrosinemia is an inherited metabolic disorder due to a shortage of the enzyme fumarylacetoacetate hydrolase that is needed to break down tyrosine. Patients usually develop features such as hepatic necrosis, renal tubular injury, and hypertrophic cardiomyopathy. Neurologic and dermatologic manifestations are also possible as well as hepatocellular carcinoma. The urine of tyrosinemia patients has an odour of cabbage or rancid butter. Succinylacetoacetate is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated tyrosinemia. Many affected children with organic acidemias experience intellectual disability or delayed development. Succinylacetoacetate appears to function as an oncometabolite (similar in function to succinate, another oncometabolite) as patients with high levels of this compound often develop hepatocellular carcinoma (PMID: 20003495).
Benzoic acid sulfate
Benzoic acid sulfate is an endogenous phenolic acid metabolite. Benzoic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazole
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans. Outside of the human body, 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate has been detected, but not quantified in, soy beans. This could make 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate a potential biomarker for the consumption of these foods. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is part of the Purine metabolism pathway. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate can be found in soy bean, which makes 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate a potential biomarker for the consumption of this food product. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans.
Magnesium lactate
Buffering agent; dough conditioner; dietary supplement. Magnesium lactate, the magnesium salt of lactic acid, is a mineral supplement. Buffering agent; dough conditioner; dietary supplement
Disodium tetraborate
Listed in the EAFUS Food Additive Database (Jan. 2001) but with no reported use
1-(2,3-Dihydro-2-furyl)-4-(2-thienyl)-1t-buten-3-in|1-(2,3-Dihydro-2-furyl)-4-(thien-2-yl)but-1-en-3-yne
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol
A benzyl alcohol with hydroxy substituents at positions 2 and 5 and a methanesulfinyl group at position 3. It is a fungal secondary metabolite from Ampelomyces sp. SC0307 and has antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Proteus vulgaris.
(E)-5-(Methylthio)-1-phenyl-4-penten-2-yn-1-one|trans-5-Methylthio-1-phenylpent-4-en-2-in-1-on
Fludioxonil-TP CGA 192155
CONFIDENCE standard compound; UCHEM_ID 4244 UCHEM_ID 4244; CONFIDENCE standard compound
7H-PYRROLO[1,2-C]IMIDAZOL-7-ONE 5,6-DIHYDRO-, HYDROBROMIDE (1:1)
2-(2-CHLORO-6-FLUORO-PHENYL)-N-HYDROXY-ACETAMIDINE
1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-2-hydroxypropyl]sulfanylpropan-2-ol
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
TRIMETHYL(4-CHLORO-2-FLUOROPHENYL)SILANE 965-CHLORO-2-(TRIMETHYLSILYL)FLUOROBENZENE
Propanedinitrile,2-[1-(4-chlorophenyl)ethylidene]-
4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
4-Methoxyphenyl mesylate, 4-[(Methylsulphonyl)oxy]anisole
3H-1,2,4-Triazino[5,6-b]indole-3-thione,2,4-dihydro-
4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-HYDROXY-3(2H)-PYRIDAZINONE
6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
2-amino-4,6-dimethyl-3-pyridinecarboxylic acid hydrochloride
ETHYL 4-HYDROXY-2-METHYLAMINOTHIAZOLE-5-CARBOXYLATE
2-Thiophenecarboxylicacid,5-amino-4-nitro-,methylester(9CI)
Magnesium lactate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CC - Magnesium
4-Methoxy-6-methyl-2-(methylsulfonyl)pyrimidine ,97
6-METHOXY-5-(TRIFLUOROMETHYL)-3-PYRIDINECARBONITRILE
Pyrrolo[2,1-b]thiazole-3-carboxylic acid, 6-aminohexahydro-5-oxo- (9CI)
2-(2-Chloro-4-fluoro-phenyl)-N-hydroxy-acetamidine
5-CHLOROMETHYL-1H-PYRROLO[2,3-B]PYRIDINE HYDROCHLORIDE
3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-AMINE
METHYL 5-(CHLOROCARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
1-(PROP-2-YN-1-YL)-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
1-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid
(FURAN-2-YLMETHANESULFINYL)-ACETIC ACID METHYL ESTER
Ethanone, 2-bromo-1-(1-methyl-1H-imidazol-2-yl)- (9CI)
5-METHYL-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
4-AMINO-2-CHLORO-3-METHYLBENZONITRILE HYDROCHLORIDE
2-[3-METHYL-2-(METHYLIMINO)-4-OXO-1,3-THIAZOLAN-5-YL]ACETIC ACID
2-(CHLOROMETHYL)IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
3-Ethynyl-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
2-(2-formyl-1h-pyrrol-1-yl)thiophene-3-carbonitrile
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid
(2S,4R)-4-AMINOPYRROLIDINE-2-CARBOXYLIC ACID DIHYDROCHLORIDE
1,5-DIMETHYL-1H,5H-[1,2,4]TRIAZOLO[1,2-A][1,2,4]TRIAZOLE-3,7-DITHIOL
2-[[5-(TRIFLUOROMETHYL)-2-PYRIDYL]OXY]ACETONITRILE
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
3-Isocyanato-2-methyl-6-(trifluoromethyl)pyridine, TECH
4(1H)-Pyrimidinone,6-(dimethoxymethyl)-2,3-dihydro-2-thioxo-
2-(2-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)ANILINE
4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
6-FLUORO-3-METHYLBENZO[D]ISOXAZOL-5-AMINE HYDROCHLORIDE
2-PYRIDINECARBOXYLIC ACID, 4-AMINO-5-CHLORO-6-METHOXY-
2-amino-5-fluoro-5-(trifluoromethyl)-1,3-thiazol-4-one
5-CHLOROMETHYL-FURAN-2-CARBOXYLIC ACID ISOPROPYL ESTER
1-Propene-1,2,3-tricarboxylic acid, 1-ethyl ester, (1Z)-
Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate
Xanthotoxol
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Xanthotoxol (8-Hydroxypsoralen) It is a kind of fragrant bean substance, and it is a CYP450 inhibitor. Xanthotoxol has anti-inflammatory, anti-inflammatory, and 5-HT antagonistic and protective effects. Xanthotoxol inhibited CYP3A4 sum CYP1A2 IC50s separation 7.43 μM sum 27.82 μM. Xanthotoxol can pass through MAPK and NF-κB, inhibiting inflammation[1][2][3][4]. Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.
Bergaptol
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties. Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties.
3-(indol-3-yl)Pyruvate
A indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid
(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-2-isocyanoprop-2-enoate
Tyrphostin A25
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
chlorphenesin
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D002491 - Central Nervous System Agents
Dinitrochlorobenzene
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D009676 - Noxae > D007509 - Irritants
3,5-Dioxooctanedioic acid
An alpha,omega-dicarboxylic acid that is suberic acid which oxo groups replace the hydrogens at positions 3 and 5. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline
3-ethylphenyl Sulfate
An aryl sulfate that is ethylbenzene substituted by a sulfooxy group at position 3.
4-ethylphenyl sulfate
An aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group.
1-(2,3-dihydro-2-furyl)-4-(thien-2-yl)but-1-en-3-yne
{"Ingredient_id": "HBIN000614","Ingredient_name": "1-(2,3-dihydro-2-furyl)-4-(thien-2-yl)but-1-en-3-yne","Alias": "NA","Ingredient_formula": "C12H10OS","Ingredient_Smile": "NA","Ingredient_weight": "202.276","OB_score": "NA","CAS_id": "55309-65-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9712","PubChem_id": "NA","DrugBank_id": "NA"}
5-(methylthio)-1-phenyl-4-penten-2-yn-1-one
{"Ingredient_id": "HBIN011822","Ingredient_name": "5-(methylthio)-1-phenyl-4-penten-2-yn-1-one","Alias": "NA","Ingredient_formula": "C12H10OS","Ingredient_Smile": "NA","Ingredient_weight": "202.27","OB_score": "NA","CAS_id": "54668-03-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7732","PubChem_id": "NA","DrugBank_id": "NA"}
