Exact Mass: 408.0449756
Exact Mass Matches: 408.0449756
Found 148 metabolites which its exact mass value is equals to given mass value 408.0449756,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Antibiotic MM4550
C13H16N2O9S2 (408.02972059999996)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid
Yellow food dye used in cereals, bakery products, sweets, snack foods, ice cream, drinks and canned fish.
Ethyl biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
3,5,7,4-Tetrahydroxy-3-(5-formyl-2-hydroxyphenyl)flavanone
Torosaflavone C
Flufenpyr-ethyl
CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4556 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4508; ORIGINAL_PRECURSOR_SCAN_NO 4505 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4549; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4523 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9312 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9375; ORIGINAL_PRECURSOR_SCAN_NO 9372 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9348; ORIGINAL_PRECURSOR_SCAN_NO 9345 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9363; ORIGINAL_PRECURSOR_SCAN_NO 9362 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9405; ORIGINAL_PRECURSOR_SCAN_NO 9404
Metrafenone
C19H21BrO5 (408.05722760000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3063
3,5,7-Trihydroxy-2,3-dihydro-2-(2,2-dihydroxy-5-formyl[1,1-biphenyl]-5-yl)-4H-1-benzopyran-4-one
9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one
3-(6-Bromo-1H-indole-3-yl)-6-(1H-indole-3-yl)piperazine-2-one
2-C-beta-D-xylopyranosyl-1,3,4,6,7-pentahydroxyxanthone|aquilarixanthone
1,2-Ethanediaminium,N1,N2-dimethyl-N1,N1,N2,N2-tetra-2-propen-1-yl-, bromide (1:2)
4-[4,5-DIHYDRO-5-(1H-INDOL-3-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-BENZENESULFONAMIDE
4-(2-Bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-3-isoxazolyl]piperidine
C15H14BrFN6O2 (408.03455759999997)
Elfazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Cyclooctadiene(hydroquinone)rhodium(I)tetrafluoroborate
1-((2-(6-BROMOQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHYLIDENE)AMINO)PYRROLIDIN-2-ONE
2,5-BIS(3-(N,N-DIETHYLAMINO)-1-OXAPROPYL
C14H22Br2N2O2 (408.00479119999994)
1-[2,6-DICHLORO-4-(FLUOROMETHYL)PHENYL]-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
C10H9F13O2 (408.03949299999994)
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
(6-PYRROLIDIN-1-YLPYRID-2-YL)METHANOL
C10H12N6O6S3 (407.99804520000004)
Xanthosine 5-monophosphate sodium salt
C10H11N4Na2O9P (408.00590460000006)
Xanthosine 5'-monophosphate sodium salt (5'-Xanthylic acid sodium salt) is an intermediate in purine metabolism. Xanthosine 5'-monophosphate sodium salt can be used for genetic code, nucleic acid structure, and DNA, RNA and protein synthesis research[1].
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
2,2-bis(3,5-difluoro-4-hydroxyphenyl)hexafluoropropane
3-Ethyl-2-(2-(phenylamino)vinyl)benzo[d]thiazol-3-ium iodide
C17H17IN2S (408.01571520000005)
1,4-Bis(7-chloroquinolin-4-yl)piperazine
C22H18Cl2N4 (408.09084479999996)
3,9-dibenzyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide
(S)-2-Benzothiazolyl (Z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate
tert-Butyl-4-[3-bromo-5-(trifluoromethyl)-phenyl]-1-piperazine Carboxylate
4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-cyano-ethyl) ester 5-methyl ester
C19H18Cl2N2O4 (408.06435680000004)
1-Methyl-1-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide
4-(chloromethyl)-6,8-difluoro-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
N-(4-Chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)azo]-3-oxobutanamide
Leriglitazone hydrochloride
C19H21ClN2O4S (408.0910496000001)
C78272 - Agent Affecting Nervous System Leriglitazone (MIN-102; Hydroxypioglitazone) hydrochloride, a metabolite of pioglitazone. Leriglitazone hydrochloride PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy. Leriglitazone hydrochloride binds to the PPARγ C-terminal ligand-binding domain (LBD) with a Ki of 1.2 μM，Leriglitazone induces transcriptional efficacy of the PPARγ (LBD) with an EC50 of 680 nM[1].
3-{[5-deoxy-5-(dimethylarsoryl)-
C10H21AsO10S (408.00713460000003)
N-{(E)-[3-(benzyloxy)phenyl]methylidene}-4-bromobenzohydrazide
C21H17BrN2O2 (408.04733219999997)
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
Ethyl Biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
6-Hydroxy-5-((4-sulphophenyl)azo)naphthalene-2-sulphonic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D004396 - Coloring Agents
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1,3-benzodioxole-5-carboxamide
C21H13ClN2O3S (408.0335378000001)
(6E)-6-(3-ethoxy-4-hydroxybenzylidene)-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide
C20H16N4O2S2 (408.07146359999996)
2-(4-chlorophenoxy)-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]acetamide
N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide
C18H17ClN2O5S (408.05466620000004)
3-(4-chlorophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester
C16H22BrClO5 (408.03390520000005)
A natural product found in Laurencia marilzae.
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid
C18H16O9S (408.05150060000005)
[2-ethoxy-6-nitro-4-[(E)-(5-oxo-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]phenyl] acetate
(11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl) hydrogen sulate
2-(4-Bromophenyl)-2-oxoethyl 12-oxododec-9(Z)-enoate
glucotropeolin(1-)
An aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3.
dADP(3-)
A 2-deoxyribonucleoside 5-diphosphate obtained by deprotonation of the diphosphate OH groups of 2-deoxyadenosine 5-diphosphate (dADP); major species at pH 7.3.
10074-A4
10074-A4 is a c-Myc inhibitor. 10074-A4 could bind to c-Myc370-409 at different sites along the peptide chain. 10074-A4 has anticancer effects[1][2].
1,3,4,6,7-pentahydroxy-2-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]xanthen-9-one
8,8,8-trichloro-2,7-dimethyl-n-[2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid
(11e)-16-bromo-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione
Aquilarixanthone
{"Ingredient_id": "HBIN016545","Ingredient_name": "Aquilarixanthone","Alias": "NA","Ingredient_formula": "C18H16O11","Ingredient_Smile": "C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=CC(=C(C=C4O3)O)O)O)O)O)O)O","Ingredient_weight": "408.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33137","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "51034839","DrugBank_id": "NA"}
(4s,8s,10s)-16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
(3s,5s)-5-acetyl-5-[(1s,3s,4s)-3-bromo-4-chloro-4-methylcyclohexyl]-2,2-dimethyloxolan-3-yl acetate
(5r,6r)-3-[(r)-(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[(1s)-1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C13H16N2O9S2 (408.02972059999996)
methyl (3s,4s,5s,6s)-6-chloro-3,4-dihydroxy-5-{[(1s,4r,5r,6r)-4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
2-[1,2-dihydroxy-1-(oxiran-2-yl)ethyl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
(1s,4z,5r,6r)-5-(carboxymethyl)-4-(carboxymethylidene)-6-(3,4-dihydroxyphenyl)-5-hydroxycyclohex-2-ene-1,2-dicarboxylic acid
methyl 2-ethyl-4,5,7,12-tetrahydroxy-6,11-dioxotetracene-1-carboxylate
(7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid
16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
(2e,4e)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid
(2s)-3-{[(2r,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2-hydroxypropoxysulfonic acid
C10H21AsO10S (408.00713460000003)
3-{2-[(1-hydroxyethylidene)amino]ethenesulfinyl}-7-oxo-6-[1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C13H16N2O9S2 (408.02972059999996)
(4r,6r,8r,9z,11e)-16-bromo-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione
[(2r,3r,4s,5r,8e)-9-(3,4-dihydroxyphenyl)-1,2,3,5-tetrahydroxy-6-oxonon-8-en-4-yl]oxysulfonic acid
(2e,4e,7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid
n-[2-(2-{[(4-bromophenyl)methoxy]carbonyl}-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene)ethyl]ethanimidic acid
2',6-dihydroxy-5'-[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carbaldehyde
5,7-dichloro-4,12,14-trihydroxy-6-methyl-15-(3-methylbut-2-en-1-yl)-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-one
4-(but-2-en-2-yl)-5,13-dichloro-14-hydroxy-6-methoxy-7,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
methyl (3s,4r,5s,6s)-6-chloro-3,4-dihydroxy-5-{[(1s,4s,5r,6s)-4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
methyl 6-chloro-3,4-dihydroxy-5-{[4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
2-{2,4-dihydroxy-6-[(4-hydroxy-6-oxopyran-2-yl)methyl]phenyl}-7-hydroxy-5-methylchromen-4-one
3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[1-(sulfooxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C13H16N2O9S2 (408.02972059999996)
5-acetyl-5-(3-bromo-4-chloro-4-methylcyclohexyl)-2,2-dimethyloxolan-3-yl acetate
(2s)-2-[(1r)-11,11-dibromo-1-methoxyundeca-2,10-dien-1-yl]oxolane
3-({5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)-2-hydroxypropoxysulfonic acid
C10H21AsO10S (408.00713460000003)