Exact Mass: 344.07331220000003
Exact Mass Matches: 344.07331220000003
Found 80 metabolites which its exact mass value is equals to given mass value 344.07331220000003,
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
[2,2'-Biquinoline]-4,4'-dicarboxylic acid
C20H12N2O4 (344.07970320000004)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
1-Benzenesulfonyl-5-ethyl-5-phenylhydantoin
C17H16N2O4S (344.08307360000003)
2-Chloro-21H,23H-porphyrin
[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
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)
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
(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
2-mercapto-6,7,8-trimethoxy-3-phenylquinazolin-4(3H)-one
C17H16N2O4S (344.08307360000003)
(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
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
MPT0E028
C17H16N2O4S (344.08307360000003)
MPT0E028 is an orally active and selective HDAC inhibitor with IC50s of 53.0 nM, 106.2 nM, 29.5 nM for HDAC1, HDAC2 and HDAC6, respectively[1]. MPT0E028 reduces the viability of B-cell lymphomas by inducing apoptosis and possesses potent direct Akt targeting ability and reduces Akt phosphorylation in B-cell lymphoma. MPT0E028 has good anticancer activity[2].
(1s,3r,4s,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
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"}
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)
(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
(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
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)