Exact Mass: 226.008
Exact Mass Matches: 226.008
Found 500 metabolites which its exact mass value is equals to given mass value 226.008,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chorismate
Chorismic acid, more commonly known as its anionic form chorismate, is an important biochemical intermediate in plants and microorganisms. It is a precursor for the aromatic amino acids phenylalanine and tyrosine,indole, indole derivatives and tryptophan,2,3-dihydroxybenzoic acid (DHB) used for enterobactin biosynthesis,the plant hormone salicylic acid and many alkaloids and other aromatic metabolites. -- Wikipedia [HMDB]. Chorismate is found in many foods, some of which are pigeon pea, ucuhuba, beech nut, and fireweed. Chorismic acid, more commonly known as its anionic form chorismate, is an important biochemical intermediate in plants and microorganisms. It is a precursor for the aromatic amino acids phenylalanine and tyrosine,indole, indole derivatives and tryptophan,2,3-dihydroxybenzoic acid (DHB) used for enterobactin biosynthesis,the plant hormone salicylic acid and many alkaloids and other aromatic metabolites. -- Wikipedia. CONFIDENCE standard compound; INTERNAL_ID 114
isochorismate
Isochorismate, also known as isochorismic 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. Isochorismate is soluble (in water) and a weakly acidic compound (based on its pKa). Isochorismate can be found in a number of food items such as cucurbita (gourd), cherry tomato, chinese chestnut, and chinese water chestnut, which makes isochorismate a potential biomarker for the consumption of these food products. Isochorismate may be a unique E.coli metabolite.
Prephenate
Prephenate (CAS: 126-49-8), also known as prephenic acid, belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Prephenic acid is an example of an achiral (optically inactive) molecule which has two pseudoasymmetric atoms (i.e. stereogenic but not chirotopic centers): the C1 and the C4 cyclohexadiene ring atoms. Prephenate exists in all living species, ranging from bacteria to humans. Prephenate has been detected, but not quantified, in several different foods, such as American pokeweeds, breadnut tree seeds, common wheats, swiss chards, and breadfruits. The other stereoisomer, i.e. trans or, better, (1r, 4r), is called epiprephenic acid. It has been shown that of the two possible diastereoisomers, the natural prephenic acid is one that has both substituents at higher priority (according to CIP rules) on the two pseudoasymmetric carbons, i.e. the carboxyl and the hydroxyl groups, in the cis configuration, or (1s, 4s) according to the new IUPAC stereochemistry rules (2013). It is biosynthesized by a [3,3]-sigmatropic Claisen rearrangement of chorismate. Prephenic acid, commonly also known by its anionic form prephenate, is an intermediate in the biosynthesis of the aromatic amino acids phenylalanine and tyrosine, as well as of a large number of secondary metabolites of the shikimate pathway. Prephenic acid, more commonly known by its anionic form prephenate, is an intermediate in the biosynthesis of the aromatic amino acids phenylalanine and tyrosine. [HMDB]. Prephenate is found in many foods, some of which are alaska wild rhubarb, chinese chestnut, kai-lan, and globe artichoke.
aminopyrrolnitrin
A member of the class of pyrroles carrying chloro and 2-amino-3-chlorophenyl substituents at positions 3 and 4 respectively.
4,5-Dimethoxy-1,2-benzenedicarboxylic acid
4,5-Dimethoxy-1,2-benzenedicarboxylic acid is a degradation product produced of many alkaloids. It is isolated from poppy straw (Papaver somniferum). Degradation production of many alkaloids. Isolated from poppy straw (Papaver somniferum).
3,4-Dimethoxy-1,2-benzenedicarboxylic acid
3,4-Dimethoxy-1,2-benzenedicarboxylic acid is isolated from poppy straw (Papaver somniferum). Isolated from poppy straw (Papaver somniferum).
3,3'-Dithiobis[2-methylfuran]
3,3-Dithiobis[2-methylfuran], also known as bis(2-methyl-3-furyl) disulfide or 3,3-dithio-2,2-dimethyldifuran, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 3,3-Dithiobis[2-methylfuran] is a meaty, onion, and roasted tasting compound. 3,3-dithiobis[2-methylfuran] has been detected, but not quantified, in tea. This could make 3,3-dithiobis[2-methylfuran] a potential biomarker for the consumption of this food. Cysteine derived maillard product. Occurs in yeast autolysate, cooked beef and black and green tea. Flavouring agent for meat prods. 3,3-Dithiobis[2-methylfuran] is found in tea and animal foods. Bis(2-methyl-3-furyl)disulfide, compound (2), is intended to provide a flavoring compound to enhance a natural feeling, a fresh feeling and a milk-rich feeling of a milk-related product[1].
Bis(2-furanylmethyl) disulfide
Bis(2-furanylmethyl) disulfide is found in animal foods. Bis(2-furanylmethyl) disulfide is a flavour component of roasted coffee, roasted sesame seeds and cooked meats. Bis(2-furanylmethyl) disulfide is a flavouring ingredien Flavour component of roasted coffee, roasted sesame seeds and cooked meats. Flavouring ingredient. Bis(2-furanylmethyl) disulfide is found in cereals and cereal products, coffee and coffee products, and animal foods.
Furfuryl 2-methyl-3-furyl disulfide
Furfuryl 2-methyl-3-furyl disulfide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,2'-Dithenyl sulfide
2,2-Dithenyl sulfide is a flavouring agent. Flavouring agent
Oltipraz
Oltipraz is a dithiole derivative and a schistosomicide. The studies have show oltipraz is also a chemoprotector, an antocarcinogen and possibly an antimutagen. [PubMed: 9593327] D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents Oltipraz has an inhibitory effect on HIF-1α activation in a time-dependent manner, completely abrogating HIF-1α induction at ≥10 μM concentrations, the IC50 of Oltipraz for HIF-1α inhibition is 10 μM. Oltipraz is a potent Nrf2 activator.
3-(Methylsulfonyl)-2-oxoimidazolidine-1-carbonyl chloride
Alclofenac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Monochlorobimane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Trona
pH control agent in milk processing. Trona (trisodium hydrogendicarbonate dihydrate); Na3H(CO3)2·2H2O is an evaporite mineral. It is mined as the primary source of sodium carbonate in the United States, where it has replaced the Solvay process used in most of the rest of the world for sodium carbonate production. D019995 - Laboratory Chemicals > D002021 - Buffers > D001639 - Bicarbonates pH control agent in milk processing
alclofenac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(S)-(5,6-dioxo-2,3,4,5,6,8-hexahydro-furo[3,4-b]oxepin-8-yl)-acetic acid|(S)-(5,6-Dioxo-2,3,4,5,6,8-hexahydro-furo[3,4-b]oxepin-8-yl)-essigsaeure
(E)-8-(Methylsulfinyl)-1,7-tridecadiene-3,5,9,11-tetrayne|(E)-8-methanesulfinyl-trideca-1,7-diene-3,5,9,11-tetrayne|cis-8-Methylsulfinyl-tridecadien-(1.7)-tetrain-(3.5.9.11)
(E)-7-methanesulfinyl-trideca-1,7-diene-3,5,9,11-tetrayne|7-cis-Methylsulfinyl-1,7-tridecadien-3,5,9,11-tetrain
Di-Me ester-4,5-Dihydroxy-1,3-benzenedicarboxylic acid
beta-(2-hydroxy-4-carboxy)phenyllactic acid|Thevefolic acid B
2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid
2-[[(Guanidino) (imino)methyl]sulfanyl]ethanesulfonic Acid
FEMA 3259
Bis(2-methyl-3-furyl)disulfide, compound (2), is intended to provide a flavoring compound to enhance a natural feeling, a fresh feeling and a milk-rich feeling of a milk-related product[1].
Oltipraz
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents Oltipraz has an inhibitory effect on HIF-1α activation in a time-dependent manner, completely abrogating HIF-1α induction at ≥10 μM concentrations, the IC50 of Oltipraz for HIF-1α inhibition is 10 μM. Oltipraz is a potent Nrf2 activator.
Methyl [2-(trifluoromethyl)-1,3-thiazol-4-yl]carbamate
METHYL 6-CHLORO-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLATE
5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
METHYL 3-HYDROXY-5-TRIFLUOROMETHYLTHIOPHENE-2-CARBOXYLATE
(1S,2R)-2-Bromo-1,2,3,4-tetrahydro-naphthalen-1-ol
4-AMINO-5-(2-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
1,4-Benzenedicarboxylicacid, 2,3-dihydroxy-, 1,4-dimethyl ester
ethyl 2-(3-methyl-2,4,5-trioxo-cyclopentyl)-2-oxo-acetate
2-[(4-CHLORO-PHENYL)-HYDROXY-METHYL]-ACRYLIC ACID METHYL ESTER
2,4-Dimethyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide
3-CHLORO-4-METHYLBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Ethyl 7-chloro-2,3-dihydrobenzofuran-2-carboxylate
1,2-Dihydro-2-oxo-4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
{[5-(2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
N-(2-Chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
1-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid
1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
3-METHYL-5-(5-METHYLISOXAZOL-3-YL)ISOXAZOL-4-CARBONYLCHLORIDE
Thieno[2,3-b]pyrazine-6-carboxylic acid,1,2,3,4-tetrahydro-7-methyl-2,3-dioxo-
ETHYL 5-OXO-3,5-DIHYDRO-2H-THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
(5-AMINOBENZO[D]ISOXAZOL-3-YL)CARBAMICACIDTERT-BUTYLESTER
3-(bromomethyl)tetrahydro-2H-thiopyran 1,1-dioxide(SALTDATA: FREE)
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-one
2-MERCAPTO-3,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
3-(6-Chloro-4-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
Butanedioic acid, oxo-, diethyl ester, ion(1-), potassium
4-AMINO-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylic acid methyl ester
4-PYRIMIDINECARBOXYLIC ACID, 2-HYDROXY-6-(TRIFLUOROMETHYL)-
3-OXO-2-(THIOPHENE-2-CARBONYL)BUTYRICACIDMETHYLESTER
4-AMINO-3-(4-CHLOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOLE
Acetic acid,2-chloro-2-(2-phenylhydrazinylidene)-, ethyl ester
5-Bromo-7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one
N,N-Dihydroxy-1,2,3,4-cyclobutanetetracarboxdiimide
2-(2-AMINOETHYL)ISOINDOLINE-1,3-DIONE HYDROCHLORIDE
4,5-DIHYDRO-1-(METHYLTHIO)BENZO(C)THIOPHENE-3-CARBOXYLIC ACID
methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
METHYL 3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBOXYLATE
3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone
5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid
Dihydro-1H,3H,5H-pyrrolo[1,2-a]thiazolo[3,4-d]pyrazine-5,8,10(5aH,10aH)-trione
(E)-methyl 3-(3,5-difluoro-4-formylphenyl)acrylate
2-(1-AMINO-2,2,2-TRIFLUORO-ETHYL)-3,4-DIFLUORO-PHENYLAMINE
4-((E)-2-[(2-HYDROXYETHYL)SULFANYL]DIAZENYL)BENZENECARBOXYLIC ACID
7-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate
2,2-DICHLORO-2,2A,7,7A-TETRAHYDRO-1H-CYCLOBUTA[A]INDEN-1-ONE
(3,4-Difluoro-5-(trifluoromethyl)phenyl)boronic acid
(4-TRIFLUOROMETHOXY-PHENYL)-(4-TRIFLUOROMETHYL-PHENYL)-METHANONE
1-chloro-4-methylsulfanyl-2-(trifluoromethyl)benzene
Ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride
4-(6-CHLOROPYRIMIDIN-4-YL)-N-METHYLTHIAZOL-2-AMINE
4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
2-(Methylsulfanyl)-5-(Thiophen-2-Ylmethyl)-1h-Imidazol-4-Ol
(E,2E)-2-[carboxy(oxido)methylidene]-6-methyl-5-oxohept-3-enoate
4-(2-Azaniumyl-2-carboxylatoethyl)-6-oxopyran-2-carboxylate
(E,3S)-2-(3-hydroxybutenyl)-thiohydroximate-O-sulfate
(E,3R)-2-(3-hydroxybutenyl)-thiohydroximate-O-sulfate
5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-6-oxopyran-2-carboxylate
2-Hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylate
Methyl 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoate
cspyrone B1
An oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae
(Z,2Z)-4-amino-2-[amino(methylsulfanyl)methylidene]-3-isocyano-4-methylsulfanylbut-3-enenitrile
3-(2,4-Dihydroxy-5-methoxyphenyl)-2-oxopropanoic acid
2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid
2-Normal-propylthio-5-aminothiazolo(5,4-D)pyrimidine
Chorismic acid
The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.
Prephenic acid
An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1.
Monochlorobimane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Bis(2-methyl-3-furyl)disulfide
A member of the class of furans that is disulfane in which both hydrogens are substituted by 2-methylfuran-3-yl groups. It is a flavouring agent found in meat. Bis(2-methyl-3-furyl)disulfide, compound (2), is intended to provide a flavoring compound to enhance a natural feeling, a fresh feeling and a milk-rich feeling of a milk-related product[1].
agglomerin F
A butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid
