Exact Mass: 271.044
Exact Mass Matches: 271.044
Found 369 metabolites which its exact mass value is equals to given mass value 271.044,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Luteolinidin
Luteolinidin is found in corn. Luteolinidin is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in Sorghum bicolor Luteolinidin is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in Sorghum bicolor.
Pelargonidin
Pelargonidin, also known as pelargonidin chloride (CAS: 134-04-3) is an anthocyanin. Anthocyanins are water-soluble glycosides and acylglycosides of anthocyanidins, which are polyhydroxy and polymethoxyl derivatives of a 2-phenylbenzopyrylium (flavylium) cation. They are widely distributed in foods of plant origin, especially in fruits and vegetables with dark red and blue colours. Numerous epidemiologic and clinical trials show that fruits and vegetables, many of which are rich in anthocyanins, may be related to the decreased incidence of many chronic and degenerative diseases, including heart disease, cancer, and aging. Antioxidant mechanisms were suggested as potential means of disease prevention. Anthocyanins are strong antioxidants in vitro. In most cases, fruits and vegetables with high anthocyanin content were shown to have higher antioxidant capacity than other fruits and vegetables. Whether anthocyanins are effective antioxidants in vivo remains an open question primarily because of the relatively low apparent absorption of anthocyanins compared with other phenolic compounds (PMID: 15465754). BioTransformer predicts that pelargonidin is a product of 5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by an EC.3.2.1.X enzyme (PMID: 30612223). Anthocyanin pigment present in many plants, flowers and fruits, e.g. cherries, raspberries, radishes, orchids, brassicas, Petunia subspecies Glycosides also widely distributed. Pelargonidin is found in many foods, some of which are almond, radish (variety), garden tomato, and tarragon.
3,5-Dinitro-Tyr-OH
A non-proteinogenic L-alpha-amino acid that is L-tyrosine substituted by nitro groups at positions 3 and 5.
Clorgiline
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Same as: D03248
Prinaberel
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Pummeline
Pummeline is found in citrus. Pummeline is an alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Pummeline is found in citrus.
Koeniginequinone B
Koeniginequinone B is found in herbs and spices. Koeniginequinone B is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Brassica oleracea Alkaloid
Brassica oleracea Alkaloid is found in brassicas. Brassica oleracea Alkaloid is an alkaloid found on the leaf surfaces of Brassica oleracea cv. botrytis (cauliflower).
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
1,3-Dioxolane-2-methanol,4-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-(9CI)
4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Amoscanate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Phosphinic amide, bis(1-aziridinyl)-N-bis(2-chloroethyl)-
Muzolimine
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CD - Pyrazolone derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
N-Methyl-D-glucamine dithiocarbamate
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
Xanthoxotin
Xanthoxotin is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Xanthoxotin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoxotin can be found in wild celery, which makes xanthoxotin a potential biomarker for the consumption of this food product.
(2R,3R)-pinobanksin
(2r,3r)-pinobanksin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-pinobanksin can be found in a number of food items such as nectarine, apple, muscadine grape, and ucuhuba, which makes (2r,3r)-pinobanksin a potential biomarker for the consumption of these food products.
p-coumaroyltriacetic acid lactone
P-coumaroyltriacetic acid lactone belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. P-coumaroyltriacetic acid lactone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-coumaroyltriacetic acid lactone can be found in a number of food items such as yellow zucchini, lowbush blueberry, fruits, and napa cabbage, which makes P-coumaroyltriacetic acid lactone a potential biomarker for the consumption of these food products.
1,2-Dihydrothiazolo[2,3:2,3]pyrimido[4,5-b]indole-1-carboxylic acid
5-(1H-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
1-(2-Thienyl)-4H-(1,2,4)triazolo(3,4-c)(1,4)benzothiazine
Prop-2-ynyl N-[4-(trifluoromethyl)benzoyl]carbamate
dimethenamid OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. CONFIDENCE standard compound; EAWAG_UCHEM_ID 259 CONFIDENCE standard compound; INTERNAL_ID 2040
1,3-Dihydroxy-4-methoxy-10-methylacridin-9(10H)-one
1,3-Dihydroxy-5-methoxy-10-methyl-9,10-dihydroacridine-9-one
1,8-Dihydroxy-3-methoxy-10-methylacridin-9(10H)-one
O1-[3]pyridyl-beta-D-glucopyranuronic acid|O1-[3]Pyridyl-beta-D-glucopyranuronsaeure
3,6-Dimethoxy-4-methyl-7-hydroxy-5H-indeno[1,2-b]pyridin-5-one
3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
acetaminosalol
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5,8-Dimethoxy-7-hydroxy-1-methyl-4-azafluoren-9-one
Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-)
Brassica oleracea Alkaloid
pelargonidin
An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4.
Sulfamide, (3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)- (9CI)
(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
5-(4-FLUORO-PHENYL)-4-PYRIDIN-3-YL-1H-IMIDAZOLE-2-THIOL
5-(4-FLUORO-PHENYL)-4-PYRIDIN-2-YL-1H-IMIDAZOLE-2-THIOL
Ethyl2-chloro-2-[2-(2-nitrophenyl)hydrazono]acetate
2-Propen-1-one,1-(4-fluorophenyl)-3-(3-nitrophenyl)-
4,6-dichloro-1-tetrahydropyran-4-yl-pyrazolo[4,3-c]pyridine
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
pentrinitrol
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
1-Ethy-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
METHYL 3-CHLORO-4-CYANO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 3-CHLORO-4-CYANO-[1,1-BIPHENYL]-4-CARBOXYLATE
(DIMETHYLAMINO)METHYLPHENYLOXOSULFONIUMTETRAFLUOROBORATE
p-nitrophenyl alpha-l-arabinopyranoside
Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate
(R)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
2-(2-AMINOPHENYL)-5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE
3-(TERT-BUTOXYCARBONYLAMINO)-4-CHLOROPHENYLBORONIC ACID
ETHYL 4-CHLORO-2-MORPHOLINOPYRIMIDINE-5-CARBOXYLATE
(Rac)-WAY-161503
(Rac)-WAY-161503 is a potent, selective, highly affinity 5-HT2C receptor agonist with a Ki of 4 nM and an EC50 of 12 nM. (Rac)-WAY-161503 displays higher affinity for 5-HT2C than 5-HT2A and 5-HT2B receptors. (Rac)-WAY-161503 has anti-obesity and antidepressant effects[1][2].
B-D-Glucopyranose,1,6-anhydro-2-azido-2-deoxy-,3,4-diacetate
2-(5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)OXAZOL-4-YL)ETHANOL
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
TERT-BUTYL (5-CHLOROBENZO[D][1,3]DIOXOL-4-YL)CARBAMATE
5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
(r)-3-amino-4-(3-benzothienyl)butanoic acid hydrochloride
Butanamide,N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
(s)-3-amino-4-(3-benzothienyl)butanoic acid hydrochloride
6-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
4-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-5-CARBALDEHYDE
2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
6-BROMO-3-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2]BIPYRAZINYL-3-YLAMINE
6-(2,3-dichlorophenyl)-2-hydroxy-3-imino-1,2,4-triazin-5-amine
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
(6-BENZHYDRYLOXYCARBONYLAMINO-PURIN-9-YL)-ACETICACID
5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-thiazolidin-4-one
2-amino-7-chloro-5-oxo-5H-(1)benzopyrano-(2,3-b)-pyridine-3-carbonitrile
1-methyl-5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
4-Chloro-7,8-difluoroquinoline-3-carboxylic acid ethyl ester
3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
methyl 6-pyrazin-2-ylthieno[3,2-b]pyridine-3-carboxylate
1-(4-FLUOROPHENYL)-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)
4-METHYL-1-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE
3-((TERT-BUTOXYCARBONYL)AMINO)-3-(THIOPHEN-2-YL)PROPANOIC ACID
subathizone
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Ethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
3-((TERT-BUTOXYCARBONYL)AMINO)-4-CHLOROBENZOIC ACID
1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
8-Methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline
[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate
4-(4-(Methylsulfonamido)phenyl)-4-oxobutanoic acid
1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-METHYLETHANAMINE
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-THIENYL)PROPANOIC ACID
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
7-METHYL-4-(METHYLTHIO)-8-PHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-AMINE
4-CHLORO-5,8-DIFLUOROQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
(2-BROMO-5-FLUOROPHENYL)(PYRROLIDIN-1-YL)METHANONE
2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
3,4-dihydro-3-oxo-4-β-D-ribofuranosyl-2-pyrazinecarboxaMide
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Ethyl 4-chloro-6,8-difluoroquinoline-3-carboxylate
(2,3,5,6-tetramethyl-benzenesulfonylamino)-acetic acid
5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
(4-(N-(3-(4-METHYLPIPERAZIN-1-YL)PROPYL)SULFAMOYL)PHENYL)BORONIC ACID
1-(2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)ETHAN-1-ONE
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)pyridine
2-(4-METHYLSULPHONYL-2-NITROPHENYL)MALONDIALDEHYDE
metiazinic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-Amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
CPPG ((RS)-CPPG) is a potent group II/III mGlu receptors antagonist. CPPG exhibits some selectivity (approximately 20 fold) for group III (IC50=2.2 nM) over group II (IC50=46.2 nM) mGlu receptors in the rat cerebral cortex. CPPG has weak effects at group I mGlu receptors[1].
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-ol
5-benzyl-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
7-[(3,5-Dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one
4-hydroxy-6-isopropyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
2-chloro-N-[(methylcarbamoylamino)-sulfanylidenemethyl]benzamide
2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanamine
2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-C]pyran-3-carboxylic acid
Clorgiline
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Same as: D03248
Muzolimine
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CD - Pyrazolone derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
1,3-Dioxolane-2-methanol,4-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-(9CI)
(2R,3R)-pinobanksin
(2r,3r)-pinobanksin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-pinobanksin can be found in a number of food items such as nectarine, apple, muscadine grape, and ucuhuba, which makes (2r,3r)-pinobanksin a potential biomarker for the consumption of these food products.
1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-3-propanedione
5-(3-Chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
(3-Bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione
2-[2-methoxy-4-(methylthio)phenyl]-3H-imidazo[4,5-c]pyridine
3-(4-Ethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2-naphthalenone
(S)-naringenin(1-)
A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
2-Chloro-3-[2-(4-methylphenyl)-5-tetrazolyl]pyridine
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone
3-[2-(4-Fluorophenyl)-5-tetrazolyl]-2-methoxypyridine
2,4,4,6-Tetrahydroxychalcone(1-)
A phenolate anion that is the conjugate base of 2,4,4,6-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3.
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide
3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
N-[(5-chloropyridin-2-yl)carbamothioyl]-3-methylbutanamide
Rubrofusarin(1-)
A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin. It is the major microspecies at pH 7.3.
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
amoscanate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
(2s,3r,5r,6r)-3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
2-{[hydroxy(phenyl)methylidene]amino}-4-methoxybenzoic acid
8-methoxy-2-methyl-5h-chromeno[4,3-b]pyridine-10-carboxylic acid
methyl 1-hydroxy-6-methoxy-9h-carbazole-3-carboxylate
2-benzamidobenzoic acid; 4-hydroxy,me ester
{"Ingredient_id": "HBIN005348","Ingredient_name": "2-benzamidobenzoic acid; 4-hydroxy,me ester","Alias": "NA","Ingredient_formula": "C15H13NO4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8689","PubChem_id": "NA","DrugBank_id": "NA"}
