Exact Mass: 344.0678186
Exact Mass Matches: 344.0678186
Found 87 metabolites which its exact mass value is equals to given mass value 344.0678186,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Theogallin
Theogallin is found in blackcurrant. Theogallin is isolated from tea.
C20637
Oxadiazone
C15H18Cl2N2O3 (344.06944180000005)
CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10263; ORIGINAL_PRECURSOR_SCAN_NO 10259 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10309 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10220; ORIGINAL_PRECURSOR_SCAN_NO 10215 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10305; ORIGINAL_PRECURSOR_SCAN_NO 10302 CONFIDENCE standard compound; INTERNAL_ID 556; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10327; ORIGINAL_PRECURSOR_SCAN_NO 10323 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3704 CONFIDENCE standard compound; INTERNAL_ID 2626 CONFIDENCE standard compound; INTERNAL_ID 8466
6-(4-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Vanillic acid 4-O-glucuronide
Vanillic acid 4-O-glucuronide is a metabolite of vanillic acid. A glucuronide is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs, or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases (Wikipedia).
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Isovanillic acid glucuronide
Vanillic acid glucuronide
2-Ethyl-2-methyl-N-(6-chloro-4-sulfamoyl-o-tolyl)succinimide
C14H17ClN2O4S (344.05975120000005)
[Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulfate
[3-(2-Acetamidoethyl)-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate
2-hydroxyluzofuranone B|4-[(2RS,5SR,7aSR)-5-bromooctahydro-4,4,7a-trimethyl-1-benzofuran-2-yl]-3-hydroxyfuran-2(5H)-one
C15H21BrO4 (344.06231260000004)
3,4,4a,10b-tetrahydro-3,4,7,8,9-pentahydroxy-2-hydroxymethyl-10-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one
7-(4-Carboxybutyrylamino)-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Galloylquinic acid
5-Galloylquinic acid is a natural product found in Quercus salicina, Castanopsis fissa, and Arbutus unedo with data available.
Theogallin
Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid. Theogallin is a natural product found in Quercus salicina, Ribes uva-crispa, and other organisms with data available.
Phosphothiaminum
C12H17N4O4PS (344.07080920000004)
1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane
C12H24O4Si4 (344.07516239999995)
2,4,6,8-Tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
C12H24O4Si4 (344.07516239999995)
2-MERCAPTO-3-(4-METHOXY-PHENYL)-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C17H16N2O2S2 (344.06531559999996)
4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)benzaldehyde
2-[Methyl(pyridin-2-yl)amino]ethyl methanesulfonate trifluoroacetate
C11H15F3N2O5S (344.06537360000004)
Liarozole hydrochloride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
C17H16N2O2S2 (344.06531559999996)
6-Benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone
C18H11F3N2O2 (344.07725819999996)
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(1Z)-1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide;hydrochloride
Thiamine phosphoric acid ester
C12H17N4O4PS (344.07080920000004)
D018977 - Micronutrients > D014815 - Vitamins
4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
(2s,3s)-3-Formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
N1-(5-Phospho-alpha-ribosyl)-5-methylbenzimidazole
C13H17N2O7P (344.07733420000005)
N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
(5Z)-3-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
C17H16N2O2S2 (344.06531559999996)
3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxybenzoyl)oxyoxane-2-carboxylic acid
(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-5-(2-nitrobenzyl)-1,3-thiazolidin-4-one
Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
thiamine(1+) monophosphate(1-)
C12H17N4O4PS (344.07080920000004)
An ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups.
6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
C15H21BrO4 (344.06231260000004)
(1s,3r,4s,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO4 (344.06231260000004)
4-o-galloyl quinicacid
{"Ingredient_id": "HBIN010770","Ingredient_name": "4-o-galloyl quinicacid","Alias": "NA","Ingredient_formula": "C14H16O10","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O","Ingredient_weight": "344.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15448","TCMID_id": "8116","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "475263","DrugBank_id": "NA"}
5-[[5-(4-methoxyphenyl)-2-furyl]methylene]barbituric acid
{"Ingredient_id": "HBIN011060","Ingredient_name": "5-[[5-(4-methoxyphenyl)-2-furyl]methylene]barbituric acid","Alias": "STOCK3S-13806; 5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione; BAS 01056487; 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione; ZINC02816192; 5-[[5-(4-methoxyphenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione","Ingredient_formula": "C16H15F3O3S","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O","Ingredient_weight": "344.35","OB_score": "43.4440195","CAS_id": "84877-44-1","SymMap_id": "SMIT08822","TCMID_id": "NA","TCMSP_id": "MOL007374","TCM_ID_id": "NA","PubChem_id": "2177166","DrugBank_id": "NA"}
5-O-Galloylquinic acid
{"Ingredient_id": "HBIN011858","Ingredient_name": "5-O-Galloylquinic acid","Alias": "NA","Ingredient_formula": "C14H16O10","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O","Ingredient_weight": "344.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8115","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "460894","DrugBank_id": "NA"}
(1r,3r,4s,6r,8s,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
C15H21BrO4 (344.06231260000004)
20-hydroxy-21-methoxy-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
4a,12a-dimethyl-4-(methylsulfanyl)-5h-1,6,12-trioxatetraphene-2,7-dione
C18H16O5S (344.07184060000003)
(1s,3r,9r,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO4 (344.06231260000004)
(1s,3r,9s,10r,12s)-12-bromo-9-hydroxy-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-one
C15H21BrO4 (344.06231260000004)
(1r,4s)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
(2s,4r,5s,6s,7r)-5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
(1s,3s,4r,6r,8s,10s)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
C15H21BrO4 (344.06231260000004)
(1r,3r,4s,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
(3r,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
4-[(2r,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
C15H21BrO4 (344.06231260000004)
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-[(2z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
C15H21BrO4 (344.06231260000004)
5-[2-(hydrogen phosphonatooxy)ethyl]-3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium
C12H17N4O4PS (344.07080920000004)
(1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-8-(pent-2-en-4-yn-1-yl)-2,7-dioxabicyclo[4.2.2]decane-10-peroxol
C15H21BrO4 (344.06231260000004)
4-[(2s,5s,7as)-5-bromo-4,4,7a-trimethyl-hexahydro-1-benzofuran-2-yl]-3-hydroxy-5h-furan-2-one
C15H21BrO4 (344.06231260000004)