Exact Mass: 226.03
Exact Mass Matches: 226.03
Found 500 metabolites which its exact mass value is equals to given mass value 226.03,
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.
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil participates in Caffeine metabolism. 5-Acetylamino-6-formylamino-3-methyluracil is converted from paraxanthine via arylamine N-acetyltransferase [EC:2.3.1.5] [HMDB] 5-Acetylamino-6-formylamino-3-methyluracil participates in Caffeine metabolism. 5-Acetylamino-6-formylamino-3-methyluracil is converted from paraxanthine via arylamine N-acetyltransferase [EC:2.3.1.5].
aminopyrrolnitrin
A member of the class of pyrroles carrying chloro and 2-amino-3-chlorophenyl substituents at positions 3 and 4 respectively.
1,3,7-trimethyl-5-hydroxyisourate
A member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7.
Nitro-Tyrosine
3-Nitrotyrosine, also known as nitrotyrosine is a product of tyrosine nitration mediated by reactive nitrogen species such as peroxynitrite anion and nitrogen dioxide. Nitrotyrosine is identified as an indicator or marker of cell damage, inflammation as well as NO (nitric oxide) production. Nitrotyrosine is formed in the presence of the active metabolite NO. Nitrotyrosine belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 3-Nitrotyrosine (NTyr) is formed in vivo in tissue or blood proteins after exposure to nitrosating and/or nitrating agents such as tetranitromethane. (PMID 8319651)
2-Methoxyxanthone
Constituent of Hypericum subspecies and Mammea americana (mamey). 2-Methoxyxanthone is found in herbs and spices and fruits. 2-Methoxyxanthone is found in fruits. 2-Methoxyxanthone is a constituent of Hypericum species and Mammea americana (mamey).
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].
Oroselone
Constituent of Angelica archangelica (angelica). Oroselone is found in fats and oils, herbs and spices, and green vegetables. Oroselone is found in fats and oils. Oroselone is a constituent of Angelica archangelica (angelica).
2,3,4,5,6,7-Hexahydroxyheptanoic acid
2,3,4,5,6,7-Hexahydroxyheptanoic acid, also known as (2XI)-D-glycero-D-gulo-heptonic acid or (2XI)-D-gluco-heptonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. 2,3,4,5,6,7-Hexahydroxyheptanoic acid is soluble (in water) and a weakly acidic compound (based on its pKa).
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
5H-Indazole-5,5-dicarboxylicacid, 1,2,3,4,6,7-hexahydro-3-oxo-
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
(2S)-1-(6-Chloro-5-fluoroindol-1-yl)propan-2-amine
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)
(S)-(-)-acromelobinic acid|(S)-form-alpha-Amino-6-carboxy-2-oxo-3-pyridinepropanoic acid|3-(6-carboxy-2-oxo-3-pyridyl)-L-alanine|L-3-(6-carboxy-2-oxo-3-pyridyl)alanine
(E)-7-methanesulfinyl-trideca-1,7-diene-3,5,9,11-tetrayne|7-cis-Methylsulfinyl-1,7-tridecadien-3,5,9,11-tetrain
3,8-Dimethyl-naphtho<2,3-b>furano-4,9-chinon|3,8-dimethyl-naphtho[2,3-b]furan-4,9-dione|Furonaphthochinon|Maturinon
Di-Me ester-4,5-Dihydroxy-1,3-benzenedicarboxylic acid
beta-(2-hydroxy-4-carboxy)phenyllactic acid|Thevefolic acid B
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)-
(-)-acromelobic acid|(S)-(-)-acromelobic acid|3-(6-carboxy-2-oxo-4-pyridyl)-L-alanine|L-3-(6-carboxy-2-oxo-4-pyridyl)alanine
2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid
2,2-Cyclouridine
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 2,2'-Anhydrouridine is used for anticancer and antiviral research[1].
3-Nitrotyrosine
A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.
3-nitro-L-tyrosine
A 3-nitrotyrosine comprising L-tyrosine having a nitro group at the 3-position on the phenyl ring. 3-Nitro-L-tyrosine is a biomarker of nitrogen free radical species modified proteins in systemic autoimmunogenic conditions.
2-[[(Guanidino) (imino)methyl]sulfanyl]ethanesulfonic Acid
Glucoheptonic acid
A carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7.
Nitrotyrosine
3-Nitro-L-tyrosine is a biomarker of nitrogen free radical species modified proteins in systemic autoimmunogenic conditions.
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].
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
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
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Ethyl 7-chloro-2,3-dihydrobenzofuran-2-carboxylate
3-AMINO-3-(2-HYDROXY-5-NITRO-PHENYL)-PROPIONIC ACID
3-AMINO-3-(3-HYDROXY-4-NITRO-PHENYL)-PROPIONIC ACID
3-AMINO-3-(4-HYDROXY-3-NITRO-PHENYL)-PROPIONIC ACID
1-(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)ETHANONE HYDROCHLORIDE
{[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
Benzoyl benzoate
Benzoyl benzoate, also known as benzoesaeureanhydrid or benzoic acid, anhydride, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzoyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoyl benzoate can be synthesized from benzoic acid. Benzoyl benzoate can also be synthesized into benzoximate. Benzoyl benzoate can be found in wild celery, which makes benzoyl benzoate a potential biomarker for the consumption of this food product.
Ethene sulfonicacid,2-(2,4,6-trimethylphenyl)-(9CI)
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
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
Methyl 3-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one
N,N-Dihydroxy-1,2,3,4-cyclobutanetetracarboxdiimide
3-Nitro-d-tyrosine
A 3-nitrotyrosine comprising D-tyrosine having a nitro group at the 3-position on the phenyl ring.
2-(2-AMINOETHYL)ISOINDOLINE-1,3-DIONE HYDROCHLORIDE
2-(4-FLUOROPHENYL)-PROPANEDIOIC ACID, 1,3-MDIETHYL ESTER
4,5-DIHYDRO-1-(METHYLTHIO)BENZO(C)THIOPHENE-3-CARBOXYLIC ACID
methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
METHYL 3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBOXYLATE
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
Ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride
4-(6-CHLOROPYRIMIDIN-4-YL)-N-METHYLTHIAZOL-2-AMINE
(S)-2-(6-Chloro-5-fluoro-indol-1-yl)-1-methyl-ethylamine
Ro60-0175 is a potent and selective agonist of 5-HT2C receptor. Ro60-0175 reduces self-administration[1].
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
4H-Furo[3,2-c]pyran-2(6H)-one, 4-[(trimethylsilyl)oxy]-
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
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
2-Nitrotyrosine
A non-proteinogenic alpha-amino acid that is tyrosine substituted by a nitro group at position 2.
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
4',5'-Didehydro-5'-deoxyuridine
4',5'-Didehydro-5'-deoxyuridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
