Exact Mass: 396.067
Exact Mass Matches: 396.067
Found 243 metabolites which its exact mass value is equals to given mass value 396.067,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cefalotin
Cefalotin is only found in individuals that have used or taken this drug. It is a cephalosporin antibiotic.The bactericidal activity of cefalotin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). The PBPs are transpeptidases which are vital in peptidoglycan biosynthesis. Therefore, their inhibition prevents this vital cell wall compenent from being properly synthesized. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Sulfazecin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Nitrovin hydrochloride
methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Phosphine oxide, diphenyl(2,4,6-trimethoxybenzoyl)-
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-6-(3-methoxypropyl)-4-(propylamino)-, 7,7-dioxide, (4S,6S)-
TIIAS
3,5,6-Trimethoxy-3,4-methylene-dioxyfurano[2,3:7,8]flavone
N-{[5-(2-Thienyl)-2-thienylcarbonyl]oxy}-3-(trifluoromethyl)benzenecarboximidamide
Me ester,di-Ac-3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
[4-(5,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate
(2S,6R)-7-Brom-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-en]-3,4-dion|(2S,6R)-7-bromo-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-ene]-3,4-dione
(2R,3S,4R,5S,6S,7R)- 2,3,5,6,7-pentachloropentadec-14-en-4-ol
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3-trans-3,4-dihydro-2H-benzofurano[2,3-h]chromene|gambircatechol
6-(2-carboxyvinyl)-7-methoxy-5-hydroxybenzofuran-5-O-beta-D-glucopyranoside
6,8-dimethoxy-7-(6?-methoxy-7?-coumarinyloxy)coumarin
methyl rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate
3,4-dimetoxyphenyl 1-O-beta-(6-sulpho)-glucopyranoside
N-Hydroxy-N-[1-[6-[1-(benzo[b]thiophene-2-yl)ethyl]benzo[b]thiophene-2-yl]ethyl]urea
3-(1-Oxo-3-hydroxy-2-butenyl)-4,5-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-acetic acid methyl ester
dehydrochebulic acid trimethyl ester|Trimethyl ester dehydrochebulic acid
1,4,5-Triacetoxy-2-methyl-anthrachinon|1,4,5-triacetoxy-2-methyl-anthraquinone|islandicin peracetate|islandicin triacetate|Islandicintriacetat|Islanelicintriacetat|Tri-Ac-1,4,5-Trihydroxy-2-methylanthraquinone|Tri-O-acetyl-islandicin
TIIAS
4-Demethyldehydropodophyllotoxin
Thiazopyr
Pre-emergence control herbicide, inhibitor of cell division. It is used on fruit trees, vines sugar cane, pineapples and citrus fruits CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9518 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9530; ORIGINAL_PRECURSOR_SCAN_NO 9527 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9533 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9569; ORIGINAL_PRECURSOR_SCAN_NO 9568 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9593; ORIGINAL_PRECURSOR_SCAN_NO 9591 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9579; ORIGINAL_PRECURSOR_SCAN_NO 9577 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3052
Flucarbazone
CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3500; ORIGINAL_PRECURSOR_SCAN_NO 3498 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3490; ORIGINAL_PRECURSOR_SCAN_NO 3488 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3481; ORIGINAL_PRECURSOR_SCAN_NO 3477 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3485; ORIGINAL_PRECURSOR_SCAN_NO 3481 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3482; ORIGINAL_PRECURSOR_SCAN_NO 3480 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3483; ORIGINAL_PRECURSOR_SCAN_NO 3481 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7700; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7696; ORIGINAL_PRECURSOR_SCAN_NO 7694 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7709; ORIGINAL_PRECURSOR_SCAN_NO 7707 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7721; ORIGINAL_PRECURSOR_SCAN_NO 7719 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7744; ORIGINAL_PRECURSOR_SCAN_NO 7742 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7710; ORIGINAL_PRECURSOR_SCAN_NO 7708
Ala Cys Cys Thr
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Cys Gly Met Ser
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Cys Ser Met Gly
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Cys Thr Cys Ala
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Gly Cys Met Ser
Gly Cys Ser Met
Gly Asp Cys Cys
Gly Met Cys Ser
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Gly Ser Cys Met
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Visor
Ethyl 4-acetoxy-8-bromo-5,6-dimethoxy-2-naphthoate
5-BROMO-3-(1-(ETHYLSULFONYL)PIPERIDIN-4-YL)-1H-INDAZOLE-7-CARBONITRILE
Methyl 4-acetoxy-7-bromo-5,8-dimethoxy-6-methyl-2-naphthoate
Methyl 5-acetoxy-7-bromo-4,8-dimethoxy-6-methyl-2-naphthoate
2,4-difluoro-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
(4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate
fosbretabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents
N,N-diethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline,iodide
5-((4-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)QUINOLIN-6-YL)METHYLENE)THIAZOLIDINE-2,4-DIONE
2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-one
3-(2-Benzyloxy-5-bromo-phenyl)-3-phenyl-propan-1-ol
Calcium cyclamate
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
TERT-BUTYL 6-BROMO-4-OXO-3,4-DIHYDRO-1H-SPIRO[1,3-BENZOXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE
3,5-bis(4-Nitrophenoxy)benzoic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
METHYL (S)-2-(BOC-AMINO)-3-(5-BROMO-3-INDOLYL)PROPANOATE
5,6-Dihydro-6-(3-methoxypropyl)-4-(propylamino)-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide
5-[4-(4-Chlorobenzoyl)-1-piperazinyl]-8-nitroquinoline
SIRT2-IN-8 is a potent SIRT2 inhibitor. SIRT2-IN-8 can be used for Huntington’s and Parkinson’s diseases research[1].
3-(4-Fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
3-(2-Furanylmethyl)-5,6-dimethyl-2-[(3-methylphenyl)methylthio]-4-thieno[2,3-d]pyrimidinone
4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid
(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one
Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium
methyl (1R,2R)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
[beta-N-acetyl-D-glucosaminyl(1->4)beta-D-glucuronate
Trans-combretastatin A-4 phosphate (*disodium salt*)
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
N-tert-butyl-2-[(2-chloro-1-oxoethyl)-(2-furanylmethyl)amino]-2-(4-chlorophenyl)acetamide
2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
N-[4-methyl-5-[2-(4-methylanilino)-4-thiazolyl]-2-thiazolyl]-2-furancarboxamide
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide
1-[2-Furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone
5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide
N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide
2,4-diamino-10-(2-chlorophenyl)-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b]dipyridine-3-carbonitrile
(6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
(2Z)-2-[(3-Hydroxyphenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
5-(3-Methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
2,3,4,6,7-Pentaacetoxy-2,4,6-cycloheptatrien-1-one
Cephalothin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
Nogalaviketone
A methyl ester derived from (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
4-de(dimethylamino)-4-oxoanhydrotetracycline(1-)
An organic anion that is the conjugate base of 4-dedimethylamino-4-oxoanhydrotetracycline, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Cefalotin
A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.
PIT
PIT (2,2'-Pyridylisatogen tosylate) is a selective and non-competitive antagonist of P2Y1 receptor with an IC50 value of 0.14 μM for human P2Y1 receptor. PIT antagonizes P2Y1 receptor signaling without affecting nucleotide binding. PIT is an irreversible antagonist of responses to ATP at metabotropic purinoceptors (of the P2Y family) in some smooth muscles. PIT can be used for the research of chronic bronchitis and asthma[1][2][3].
(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-4-yl acetate
10-hydroxy-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,12-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-14-one
13,15-dichloro-5,14-dihydroxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
methyl 1,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate
2-(2h-1,3-benzodioxol-5-yl)-3,5,6-trimethoxyfuro[2,3-h]chromen-4-one
7,10,15-trihydroxy-2,4,17-trimethyl-13,20-dioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),4,9,14,16,18-hexaene-6,8,11-trione
5,8-bis(acetyloxy)-6-methyl-9,10-dioxoanthracen-1-yl acetate
methyl 1,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate
(2r)-2-amino-4-{[(1r)-1-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
anthraxin
{"Ingredient_id": "HBIN016298","Ingredient_name": "anthraxin","Alias": "NA","Ingredient_formula": "C21H16O8","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O","Ingredient_weight": "396.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101515731","DrugBank_id": "NA"}
