Exact Mass: 261.9993
Exact Mass Matches: 261.9993
Found 361 metabolites which its exact mass value is equals to given mass value 261.9993,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Maclurin
Maclurin is a member of benzophenones. Maclurin is a natural product found in Garcinia multiflora, Garcinia assugu, and other organisms with data available. Maclurin is found in fruits. Extract from heartwood of Garcinia mangostana (mangosteen). Also from Morus alba (white mulberry D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins Macurin is a xanthone that can be isolated from Garcinia lancilimba[1]. Macurin is a xanthone that can be isolated from Garcinia lancilimba[1].
Mannitol 1-phosphate
Mannitol-1-phosphate is a sugar alcohol. Mannitol-1-phosphate dehydrogenase, (EC 1.1.1.17) reduces fructose 6-phosphate into mannitol 1-phosphate, in the mannitol cycle of organisms such as Lactobacillus plantarum, a lactic acid bacterium found in many fermented food products and in the gastrointestinal tract of mammals. Mannitol-1-phosphate is also produced in many organisms that have a range of biological interactions with humans: parasitic, mutualism, or commensalism (Examples. A. niger; A. parasiticus; B. subtilis; C. difficile; E. faecalis; E. coli; K. pneumoniae; L. salivarius; M. hyopneumoniae; M. mycoides; M. pneumoniae; P. multocida; S. typhi; S. typhimurium; S. aureus; S. pneumoniae; V. cholerae; V. parahaemolyticus; Y. pestis). [HMDB] Mannitol 1-phosphate is a sugar alcohol. Mannitol 1-phosphate dehydrogenase (EC 1.1.1.17) reduces fructose 6-phosphate into mannitol 1-phosphate in the gastrointestinal tract of mammals and the mannitol cycle of organisms such as Lactobacillus plantarum, a lactic acid bacterium found in many fermented food products. Mannitol 1-phosphate is also produced in many organisms that have a range of biological interactions with humans (e.g. A. niger, A. parasiticus, B. subtilis, C. difficile, E. faecalis, E. coli, K. pneumoniae, L. salivarius, M. hyopneumoniae, M. mycoides, M. pneumoniae, P. multocida, S. typhi, S. typhimurium, S. aureus, S. pneumoniae, V. cholerae, V. parahaemolyticus, Y. pestis). KEIO_ID M011
Demeton-S-methylsulphon
CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5769; ORIGINAL_PRECURSOR_SCAN_NO 5764 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5777; ORIGINAL_PRECURSOR_SCAN_NO 5772 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5742; ORIGINAL_PRECURSOR_SCAN_NO 5740 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5755 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5786; ORIGINAL_PRECURSOR_SCAN_NO 5784 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5755; ORIGINAL_PRECURSOR_SCAN_NO 5752
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
Sorbitol-6-phosphate
Sorbitol 6-phosphate (Sor6P) is an intermediate in sorbitol biosynthesis. It is a competitive inhibitor for both cytosolic and chloroplastic PGIs with a K(i) of 61 and 40muM, respectively. PMID: 18242768 [HMDB] Sorbitol 6-phosphate (Sor6P) is an intermediate in sorbitol biosynthesis. It is a competitive inhibitor for both cytosolic and chloroplastic PGIs with a K(i) of 61 and 40muM, respectively. PMID: 18242768.
Bentazone-sodium
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Alditol 6-phosphate
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID S049; [MS2] KO009248 KEIO_ID S049
Dehydro-4-methoxycyclobrassinin
Dehydro-4-methoxycyclobrassinin is found in brassicas. Dehydro-4-methoxycyclobrassinin is isolated from roots of the turnip Brassica campestris ssp. rapa (Cruciferae) inoculated with Pseudomonas cichorii. Isolated from roots of the turnip Brassica campestris sspecies rapa (Cruciferae) inoculated with Pseudomonas cichorii. Dehydro-4-methoxycyclobrassinin is found in brassicas and root vegetables.
Homovanillic acid sulfate
Homovanillic acid sulfate is a component of olive oil and is a major catecholamine metabolite. It is used as a reagent to detect oxidative enzymes and is associated with dopamine levels in the brain. In psychiatry and neuroscience, brain and cerebrospinal fluid levels of homovanillic acid (HVA) are measured as a marker of metabolic stress caused by 2-deoxy-D-glucose. HVA presence supports a diagnosis of neuroblastoma and malignant pheochromocytoma (Wikipedia). Homovanillic acid sulfate is an endogenous phenolic acid metabolite detected after the consumption of whole grain. Homovanillic acid sulfate is a component of olive oil and is a major catecholamine metabolite.It is used as a reagent to detect oxidative enzymes, and is associated with dopamine levels in the brain.
Thienodihydropyridinium
Thienodihydropyridinium is only found in individuals that have used or taken Ticlopidine. Thienodihydropyridinium is a metabolite of Ticlopidine. Thienodihydropyridinium belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
2-Hydroxy-4-methoxyacetophenone 5-sulfate
2-Hydroxy-4-methoxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Dihydrocaffeic acid 3-sulfate
Dihydrocaffeic acid 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate is the conjugate of 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid and sulphate. (3-Hydroxyphenyl)hydracrylate (HPHPA) is an organic acid detected in human urine. It is thought that the presence of this acid is from nutritional sources (i.e. dietary phenylalanine). However, there has been a considerable degree of ambiguity in the origin and/or significance of this compound (PMID:11978597). Recently it has been reported that HPHPA is actually an abnormal phenylalanine metabolite arising from bacterial metabolism in the gastrointestinal tract. Specifically HPHPA appears to arise from the action of the anaerobic bacteria Clostrida sp. (PMID:20423563). Elevated levels of HPHPA have been reported in the urine of children with autism as well as in adult patients with schizophrenia. It has been proposed that HPHPA may be a bacterial metabolite of m-tyrosine, a tyrosine analog that causes symptoms of autism in experimental animals.
N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine
N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine belongs to the family of 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).
3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate
3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate is a metabolite found in urine of individuals that have consumed whole grains. It is a particularly strong biomarker for whole grain rye bread consumption (PMID: 23307617).
sorbitol 3-phosphate
sorbitol 3-phosphate, also known as 3-O-phosphono-D-Glucitol, is classified as a member of the Monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. sorbitol 3-phosphate is considered to be soluble (in water) and acidic
(2R,3R,4S,5R)-5-Fluoro-2,3,4-trihydroxy-6-oxohexyl dihydrogen phosphate
(2E)-4-Hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
5-Chloro-2'-deoxyuridine
1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
2-Phenoxy-4H-1,3,2-benzodioxaphosphorin 2-oxide
Arctinone A
Arctinone a is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinone a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinone a can be found in burdock, which makes arctinone a a potential biomarker for the consumption of this food product.
methyl 3,4,5-trihydroxy-6-oxobenzo[7]annulene-8-carboxylate
Phloroglucinol-monoprotocatecuat|phloroglucinyl 3,4-dihydroxybenzoate
3-(1-propynyl)-6-(5,6-dihydroxyhex-3-yn-1-ynyl)-1,2-dithiacyclohexa-3,5-diene|6-[6-(1-Propynyl)-1,2-dithiin-3-yl]-3,5-hexadiyne-1,2-diol|Thiarubrine E
(3,4-Dihydroxyphenyl)(2,4,5-trihydroxyphenyl)methanone
(+)-2-[3-[(3-Hydroxy-1-propyl)-2-thienyl]-2-propynylidene]-3-thietanol
Ac-1-Chloro-4-[5-(1, 3-pentadiynyl)-2-thienyl]-3-butyn-2-ol, 9CI
2-(Acetoxymethyl)-5-<(2-thienyl)aethinyl>thiophen|2-Acetoxymethyl-5--thiophen|2-acetoxymethyl-5-thiophen-2-ylethynyl-thiophene|Ac-5-(2-Thienylethynyl)-2-thiophenemthanol
6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one
2-Acetyl-5,8-dihydroxy-3-methoxy-1,4-naphthoquinone
Ferric ammonium citrate
V - Various > V08 - Contrast media > V08C - Magnetic resonance imaging contrast media > V08CA - Paramagnetic contrast media D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
5,6-dichloro-N-(2-hydroxybutyl)pyridine-3-carboxamide
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZOICACID
Diapamide
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic
6-(2-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
5-amino-1-(3-bromophenyl)-1H-Pyrazole-4-carbonitrile
5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
Methanone,(4-chlorophenyl)(2-hydroxy-4-methoxyphenyl)-
3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid
6-Bromo-4-hydroxy-8-methyl-3-quinolinecarbonitrile
8-Bromo-4-hydroxy-6-methyl-3-quinolinecarbonitrile
5-CHLORO-4-(HYDROXYMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-CHLORO-4-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
METHYL 4-CHLORO-3-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLATE
4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
3-CHLORO-3-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-CHLORO-4-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-Chloro-2-deoxyuridine
5-Chloro-2'-deoxyuridine, a thymine analog, is to study the potential of hypochlorous acid damage to DNA and DNA precursors.
5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
(3-BOC-AMINO-PYRROLIDIN-1-YL)-THIOPHEN-2-YL-ACETICACID
2-(4-chlorophenyl)-6H-thieno[2,3-d]pyridazin-7-one
6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole
2-METHYL-4-(3-METHYL-UREIDO)-BENZENESULFONYL CHLORIDE
(1-chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene
1-(3-Bromo-5-fluorophenyl)-2-fluoro-2-methylpropan-1-one
3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
2-Naphthalenol,2-(hydrogen sulfate), potassium salt (1:1)
5-AMINO-1-(2-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
3,6,9,14-TETRATHIABICYCLO[9.2.1]TETRADECA-11,13-DIENE
5-CHLORO-1-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
3-CHLORO-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2,3-Dihydro-7-bromo-1H-cyclopenta[b]quinolin-9-amine
N-[4-(AMINOSULFONYL)-5-CHLORO-2-METHYLPHENYL]ACETAMIDE
Guanoclor
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
2-Methyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrobromide (1:1)
5-Chloromethyl-3-(2-trifluoromethylphenyl)-[1,2,4]oxadiazole
Benzene, [[2-bromo-1-(chloromethyl)ethoxy]Methyl]-
2-BROMO-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
Quazolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer
5-Bromo-3-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
1-(4-BROMOBENZYL)-1-(4-METHOXYPHENYL)HYDRAZINEHYDROCHLORIDE
Benzamide,4-isothiocyanato-N-(tetrahydro-2-oxo-3-furanyl)-
4-Bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
2-Fluoro-1,3-dimethylimidazolidinium hexafluorophosphate
METHYL 3-CHLORO-4-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLATE
1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethanol
3-[(4-CHLOROPHENYL)SULFONYL]-2-METHYLPROPANOIC ACID
3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
4-bromo-2-fluoro-1-((2-methoxyethoxy)methyl)benzene
(5-pyridin-2-ylthiophen-2-yl)methanamine,dihydrochloride
Benzene, 4-bromo-1-fluoro-2-[(2-methoxyethoxy)methyl]-
Benzene, 1-bromo-3-fluoro-5-[(2-methoxyethoxy)methyl]-
5-CHLOROMETHYL-3-(4-TRIFLUOROMETHYL-PHENYL)-[1,2,4]OXADIAZOLE
N-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-2-CYANOACETAMIDE
(6-thiophen-2-ylpyridin-3-yl)methanamine,dihydrochloride
(e)-6-(3,4-Dihydroxystyryl)-3,4-dihydroxy-2h-pyrane-2-one
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
4,6-Bis(chloromethyl)-2,5-dimethoxycyclohepta-2,4,6-trien-1-one
Thienodihydropyridinium
Thienodihydropyridinium is only found in individuals that have used or taken Ticlopidine. Thienodihydropyridinium is a metabolite of Ticlopidine. Thienodihydropyridinium belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
2-[(1Z,3Z)-5-carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid
(E)-2-(4-hydroxyphenyl)-N-(sulfonatooxy)ethenimidothioate
5-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-5,6-dihydroxy-1,4-dioxane-2,3-dione
N-(3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
N-[(3-hydroxyanilino)-sulfanylidenemethyl]-2-furancarboxamide
2-[(1Z,3E)-5-Carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid
D-Mannitol 1-phosphate
An alditol 1-phosphate that is the 1-O-phospho derivative of mannitol with D-configuration.
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate
(2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate
A prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent.
7-hydroxy-4-methoxy-6-methyl-2h-naphtho[2,3-d][1,3]dioxole-5,8-dione
4-chloro-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diol
(2s)-6-[6-(prop-1-yn-1-yl)-1,2-dithiin-3-yl]hexa-3,5-diyne-1,2-diol
(3s)-6,7-dihydroxy-5'-methyl-2h-spiro[1-benzopyran-3,2'-furan]-3',4-dione
(2s,7s)-11,13-dihydroxy-14-methyl-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),5,11,13-tetraene-4,9-dione
(2r)-3-(4-hydroxyphenyl)-2-(sulfooxy)propanoic acid
6,7-dihydroxy-5'-methyl-2h-spiro[1-benzopyran-3,2'-furan]-3',4-dione
7-hydroxy-2-oxo-2h-1-benzopyran-6-carboxylic acid,9ci; ac,me ester
{"Ingredient_id": "HBIN013219","Ingredient_name": "7-hydroxy-2-oxo-2h-1-benzopyran-6-carboxylic acid,9ci; ac,me ester","Alias": "NA","Ingredient_formula": "C13H10O6","Ingredient_Smile": "NA","Ingredient_weight": "262.21","OB_score": "NA","CAS_id": "61467-57-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7455","PubChem_id": "NA","DrugBank_id": "NA"}
