Exact Mass: 450.048738
Exact Mass Matches: 450.048738
Found 151 metabolites which its exact mass value is equals to given mass value 450.048738,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Myricetin 3-arabinoside
Myricetin 3-arabinoside is found in american cranberry. Myricetin 3-arabinoside is isolated from numerous plant species, e.g. Woodfordia fruticosa [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.). Isolated from numerous plant subspecies, e.g. Woodfordia fruticosa [DFC]. Myricetin 3-arabinoside is found in american cranberry.
C.I. Food Red 6
Wool dye. Delisted by FDA for use in food, drugs and cosmetics. [CCD] Former food dye, now delisted by FDA.
Capravirine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
Dinofenate
D019995 - Laboratory Chemicals > D002021 - Buffers > D001639 - Bicarbonates
N-desmethyl enzalutamide
Tedizolid phosphate
Glucoalyssin
Glucoalyssin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Glucoalyssin is soluble (in water) and an extremely strong acidic compound (based on its pKa). Glucoalyssin can be found in chinese cabbage and turnip, which makes glucoalyssin a potential biomarker for the consumption of these food products.
Myricetin 3-arabinofuranoside
Myricetin 3-arabinofuranoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-arabinofuranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Myricetin 3-arabinofuranoside can be found in american cranberry, black chokeberry, highbush blueberry, and lingonberry, which makes myricetin 3-arabinofuranoside a potential biomarker for the consumption of these food products.
5-methylsulfinylpentyl glucosinolate
5-methylsulfinylpentyl glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methylsulfinylpentyl glucosinolate can be found in a number of food items such as guava, romaine lettuce, soursop, and sorrel, which makes 5-methylsulfinylpentyl glucosinolate a potential biomarker for the consumption of these food products.
Myricetin 3-alpha-L-arabinopyranoside
Myricetin 3-alpha-L-arabinofuranoside
CAY10595
(E)-3-[4-hydroxy-3-methoxy-5-[(4R)-6-methoxy-4-(sulfomethyl)chroman-3-yl]phenyl]prop-2-enoic acid|tarvanol A
(+)-bionectin|(+)-bionectin A|bionectin A
C22H18N4O3S2 (450.08202779999993)
Myricetin-3-Xyloside
Acquisition and generation of the data is financially supported in part by CREST/JST.
Myricetin 3-arabinoside
1,3-Dichloro-1,1,3,3-tetraphenyldisiloxane
C24H20Cl2OSi2 (450.04296899999997)
Adenosine5-(trihydrogen diphosphate), sodium salt (1:1)
sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanesulphonate
C17H16ClN2NaO5S2 (450.00868360000004)
4-(6-(BENZOYLOXY)BENZO[B]THIOPHEN-2-YL)PHENYL BENZOATE
Tedizolid Phosphate
A four-component ring assembly consisting of 5-(phosphooxymethyl)-1,3-oxazolidin-2-one, fluorobenzene, pyridine and 2-methyltetrazole rings joined in sequence. The prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
s-(2-hydroxy-5-nitrobenzyl)-6-thioguanosine
C17H18N6O7S (450.09576380000004)
4-methyl-2-nitrobenzenediazonium,naphthalene-1,5-disulfonate
C17H12N3O8S2 (450.00658119999997)
[3-[(4,8-diamino-6-bromo-1,5-dioxonaphthalen-2-yl)amino]phenyl]-trimethylazanium,chloride
4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-2-pyridine carboxamide
[(5R)-3-{3-Fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
C19H18BF2IN2 (450.05757919999996)
N-(5-Bromo-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
2-[(2,5-dichlorophenyl)azo]-N-(6-ethoxy-2-benzothiazolyl)-3-oxo-Butanamide
C19H16Cl2N4O3S (450.03201260000003)
2-Mercaptobenzothazolyl (Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetate
C18H18N4O4S3 (450.04901480000007)
2-((9H-Purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-one
[1-Hydroxy-2-(1,1:3,1-Terphenyl-3-Yloxy)Ethane-1,1-Diyl]Bis(Phosphonic Acid)
Ibrolipim
C19H20BrN2O4P (450.03439900000006)
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D020536 - Enzyme Activators > D058867 - Lipoprotein Lipase Activators D009676 - Noxae > D000963 - Antimetabolites Ibrolipim (NO-1886) is an orally active lipoprotein lipase (LPL)-promoting agent. Ibrolipim decreases plasma triglycerides, increases high-density lipoprotein cholesterol levels. Ibrolipim has renoprotective and hypolipidemic effects[1][2][3].
N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-chloro-3-nitrophenyl)sulfonylacetamide
C19H15ClN2O7S (450.02884700000004)
Capravirine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Myricetin 3-arabinofuranoside
Myricetin 3-arabinofuranoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-arabinofuranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Myricetin 3-arabinofuranoside can be found in american cranberry, black chokeberry, highbush blueberry, and lingonberry, which makes myricetin 3-arabinofuranoside a potential biomarker for the consumption of these food products.
myricetin-3-O-beta-D-xylopyranoside
A xylose derivative that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from Mimosa diplotricha.
Tedizolid phosphate
S-[(1R,2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine
5-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2R)-2-amino-3-sulfanylpropanoate
C13H19N6O8PS (450.07226640000005)
[(Z)-[6-methylsulfinyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexylidene]amino] sulfate
Gaboroquinone A
An anthraquinone that is anthracene-9,10-dione substituted by a 3-acetyl-4,6-dihydroxy-2-methoxyphenyl moiety at position 1, hydroxy groups at positions 4 and 5 and a hydroxymethyl group at position 2. Isolated from the roots of Bulbine frutescens, it exhibits antiplasmodial and antitrypanosomal activities.
Saicar(4-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-[[[2-(2,4-Dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylurea
C23H16Cl2N4O2 (450.06502559999996)
2,7-Bis-(3-hydroxy-phenyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone
myricetin-3-O-arabinofuranoside
A glycosyloxyflavone that is the 3-O-arabinofuranosyl derivative of myricetin. It has been isolated from Mimosa diplotricha.
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-8-quinolinesulfonamide
3-L-cysteinyl-AMP
C13H19N6O8PS (450.07226640000005)
An L-cysteinyl ester obtained by formal condensation of the carboxy group of L-cysteine with the 3-hydroxy group of AMP.
N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide
2-chloro-4-(5-{[1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-furyl)benzoic acid
N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide
C23H19ClN4O2S (450.09171840000005)
5-(4-bromophenyl)-N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-2-furancarboxamide
3-amino-N2-(2,3-dichlorophenyl)-5-(2-methoxyphenyl)imino-2H-thiophene-2,4-dicarboxamide
C19H16Cl2N4O3S (450.03201260000003)
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4,5-diphenyl-2-thiazolyl)acetamide
C22H18N4O3S2 (450.08202779999993)
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide
C22H18N4O3S2 (450.08202779999993)
4-Methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester
N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide
N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamide
C23H19ClN4O2S (450.09171840000005)
1-(4,5-Dimethyl-2-thiazolyl)-5-(2-furanyl)-4-[(7-methoxy-2-benzofuranyl)-oxomethyl]pyrrolidine-2,3-dione
[2,2-Dimethyl-6-(3,5,7-trihydroxy-4-oxochromen-2-yl)-3,4-dihydrochromen-3-yl] hydrogen sulate
C20H18O10S (450.06206480000003)
2-[3-[(2S,5Z)-5-[[(3R)-6-bromo-3-hydroxy-2-oxo-1H-indol-3-yl]methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
methyl 3-O-(3-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-galactopyranoside
C13H22O15S (450.06793820000007)
Saicar(4-)
An organophosphate oxoanion that is the tetraanionic form of SAICAR. It is the major species at pH 7.3.
2-(3,4-dihydroxyphenyl)-3,5,11,12-tetrahydroxy-6-methylisochromeno[3,4-h]chromene-4,8-dione
C23H14O10 (450.05869440000004)
7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5-chloro-n-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C20H19ClN2O8 (450.08298840000003)
7-{[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3-[(1r)-1-acetyl-1,5,6-trihydroxyinden-2-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
C23H14O10 (450.05869440000004)
(?)-2-galloyl-4-(e)-caffeoyl-l-threonicacid
{"Ingredient_id": "HBIN005648","Ingredient_name": "(?)-2-galloyl-4-(e)-caffeoyl-l-threonicacid","Alias": "NA","Ingredient_formula": "C20H18O12","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8102","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 2-(3,5-dichloro-4-methoxyphenyl)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]acetate
(2r,3r,5r)-2-[(2s,3r,5e)-3-bromo-2-hydroxyoct-5-en-1-yl]-5-[(1s)-1-bromoprop-2-yn-1-yl]oxolan-3-yl acetate
C17H24Br2O4 (450.00412239999997)
methyl 2-(3,5-dichloro-4-methoxyphenyl)-2-[(2e)-3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]acetate
5,7-dihydroxy-3-{[(2s,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one
n-[(2r)-2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl]propanimidic acid
(1s,2s,3r,11r,14s)-2-hydroxy-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione
C22H18N4O3S2 (450.08202779999993)
n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl)propanimidic acid
(1s,4r,5r,9r,11s,14r,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,8,12,18-tetrone
8,19-dihydroxy-1,12-bis(methylsulfanyl)-6,17-dioxa-3,14-diazaheptacyclo[12.8.0.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]docosa-9,20-diene-2,13-dione
3-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
6-{[3-(2,4-dihydroxy-6-methylbenzoyl)-4,5,7-trihydroxynaphthalen-2-yl]methyl}-4-hydroxypyran-2-one
(1s,4r,5r,9r,11s,14r,15s,19r)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,8,12,18-tetrone
2-(3,4-dihydroxyphenyl)-3,5,10,11-tetrahydroxy-6-methylisochromeno[3,4-h]chromene-4,8-dione
C23H14O10 (450.05869440000004)
(4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C20H19ClN2O8 (450.08298840000003)
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyloxy)-6-(but-2-en-2-yl)-2-hydroxy-3-methylbenzoic acid
C20H19BrO7 (450.03140840000003)
2-(3-bromo-2-hydroxyoct-5-en-1-yl)-5-(1-bromoprop-2-yn-1-yl)oxolan-3-yl acetate
C17H24Br2O4 (450.00412239999997)
5,7-dihydroxy-3-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5,7-dihydroxy-3-{[(3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3-(1-acetyl-1,5,6-trihydroxyinden-2-yl)-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
C23H14O10 (450.05869440000004)
5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,16-diene-2,8,12,18-tetrone
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
3-{[(3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5,7-dihydroxy-3-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(1r,4s,5r,7s,8s,12r,15s,16r,18s,19s)-8,19-dihydroxy-1,12-bis(methylsulfanyl)-6,17-dioxa-3,14-diazaheptacyclo[12.8.0.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]docosa-9,20-diene-2,13-dione
(2s,3s,5e)-3-bromo-1-[(2r,3r,5r)-5-[(1r)-1-bromoprop-2-yn-1-yl]-3-hydroxyoxolan-2-yl]oct-5-en-2-yl acetate
C17H24Br2O4 (450.00412239999997)
3-bromo-1-[5-(1-bromoprop-2-yn-1-yl)-3-hydroxyoxolan-2-yl]oct-5-en-2-yl acetate
C17H24Br2O4 (450.00412239999997)