Exact Mass: 444.0692586
Exact Mass Matches: 444.0692586
Found 166 metabolites which its exact mass value is equals to given mass value 444.0692586,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Granaticin
5-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine
Rothindin
Rothindin is found in herbs and spices. Rothindin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Rothindin is found in tea and herbs and spices.
Formononetin 7-O-glucuronide
Formononetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Betavulgarin xyloside
Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.
4-Hydroxyphenytoin glucuronide
C21H20N2O9 (444.11687500000005)
4-Hydroxyphenytoin glucuronide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
Formononetin 7-glucuronide
2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
C18H22ClN2O7P (444.08531020000004)
Vercirnon
C22H21ClN2O4S (444.0910496000001)
Vulgamycin
3'-O-Methylderhamnosylmaysin
3-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-methylderhamnosylmaysin can be found in corn, which makes 3-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product.
Enterocin
Rothindin
DODECAMETHYLCYCLOHEXASILOXANE
C12H36O6Si6 (444.11274360000004)
D001697 - Biomedical and Dental Materials
18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester
2-Hydroxy-3,5-dichloro-4-methyl-6-[2-methyl-3-(methoxycarbonyl)-4-methoxy-6-hydroxyphenoxy]benzoic acid methyl ester
3,5-Dichlor-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoesaeure-dimethylester|3,5-dichloro-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoic acid dimethyl ester|methyl 2,4-dichloroasterrate
(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone
Cys Cys Gly Tyr
Cys Cys Tyr Gly
Cys Gly Cys Tyr
Cys Gly Tyr Cys
Cys Tyr Cys Gly
Cys Tyr Gly Cys
Gly Cys Cys Tyr
Gly Cys Tyr Cys
Gly Tyr Cys Cys
Tyr Cys Cys Gly
Tyr Cys Gly Cys
Tyr Gly Cys Cys
Betavulgarin xyloside
Formononetin 7-O-glucuronide
Methyl 18,18-dibromo-17-octadecen-5,7-diynoate
C19H26O2Br2 (444.02994160000003)
sermetacin
C22H21ClN2O6 (444.10880760000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate
C22H17N2NaO5S (444.07558320000004)
DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE
3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline
C20H15F6N2OP (444.08261419999997)
4-(2,2-DIPHENYLPROPANE-4-YLOXYSULFONYL) NAPHTHOQUINONE-1,2-DIAZIDE
C25H20N2O4S (444.11437200000006)
2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one
C13H9F13O2 (444.03949299999994)
3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid
4-Nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 6-(hydrogen sulfate) monosodium salt
C14H17N2NaO11S (444.04507320000005)
4-(1-METHYL-1-PHENYLETHYL)PHENYL 3-DIAZO-3,4-DIHYDRO-4-OXO-1-NAPHTHALENESULFONATE
C25H20N2O4S (444.11437200000006)
Vercirnon
C22H21ClN2O4S (444.0910496000001)
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist
2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
C18H22ClN2O7P (444.08531020000004)
5-(1,3-Benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide
C25H20N2O4S (444.11437200000006)
1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea
(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One
(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid
C12H22N4O10P2 (444.08111319999995)
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione
2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
1-(3,4-Dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone
1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid
5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
C22H15F3N2O3S (444.07554360000006)
3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole
3-L-prolyl-AMP
An L-proline derivative that is the ester obtained by formal condensation of the carboxy group of L-proline with the 3-hydroxy group of AMP.
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
C22H21ClN2O4S (444.0910496000001)
7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
3-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
C24H23Cl2FN2O (444.11713799999995)
1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide
2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
C17H21ClN4O4S2 (444.06926960000004)
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
C21H21BrN2O4 (444.06846060000004)
3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
C14H25N2O10PS (444.09674800000005)
1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide
8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide
C21H17ClN2O5S (444.05466620000004)
{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid
C17H16O12S (444.03624560000003)
6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
BMS-687453
C22H21ClN2O6 (444.10880760000003)
BMS-687453 is a potent and selective PPARα agonist, with an EC50 and IC50 of 10 nM and 260 nM for human PPARα and 4100 nM and >15000 nM for PPARγ in PPAR-GAL4 transactivation assays.
CCG-222740
C23H19ClF2N2O3 (444.1052198000001)
CCG-222740 is an orally active and selective Rho/myocardin-related transcription factor (MRTF) pathway inhibitor[1]. CCG-222740 is also a potent inhibitor of alpha-smooth muscle actin protein expression. CCG-222740 effectively reduces fibrosis in skin and blocks melanoma metastasis[2].
JNJ-37822681 (dihydrochloride)
JNJ-37822681 dihydrochloride is a potent, specific, centrally active, fast-dissociating dopamine D2 receptor antagonist with a moderate binding affinity for the dopamine D2L receptor (Ki =158 nM), which has potential for the treatment of schizophrenia and bipolar disorder[1][2].
VU0467154
C17H15F3N4O3S2 (444.05376359999997)
VU0467154 is a positive allosteric modulator of the M4 muscarinic acetylcholine receptor (mAChR), potentiating the response to ACh with pEC50s of 7.75, 6.2 and 6 for rat, human and cynomolgus monkey M4 receptor, respectively.
[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid
(2s)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (6ar,7r,10ar)-3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate
(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione
3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione
(1'r,2r,3's,4's,5r,7'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione
(1's,2s,3'r,4's,5s,7's,10's)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione
{1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl}acetic acid
(1'r,2s,3's,4's,5r,7'r,10'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione
methyl 3,5-dichloro-2-[2,4-dimethoxy-6-(methoxycarbonyl)phenoxy]-6-hydroxy-4-methylbenzoate
[(3r,4r,5s,6s)-6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate
C23H21ClO7 (444.09757460000003)
6,13,15-trichloro-14-hydroxy-5-methoxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
C20H19Cl3O5 (444.02980140000005)
(2r,3s,4s,7s,8s,9s,10s,11s)-7-(chloromethyl)-3,7,10-trihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2e)-2-methylbut-2-enoate
ethyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate
(2s)-n-[(1z)-2-(6-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
methyl (6ar,7s,10as)-3,6a,7,10,10a,12-hexahydroxy-1-methyl-6,8,11-trioxo-7h-tetracene-2-carboxylate
methyl 3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate
14-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
14-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
9-methoxy-7-(2-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3-(2h-1,3-benzodioxol-5-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione
5,13,15-trichloro-14-hydroxy-6-methoxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
C20H19Cl3O5 (444.02980140000005)
(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
(1s,7s,11s,19r,20r,23r)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione
(2r)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
(1s,12s,15r,17r,19s)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione
n-[2-(6-bromo-1h-indol-3-yl)ethenyl]-2-isopropyl-4-oxo-5-(sec-butyl)-3h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
2-[2-(3-acetyl-7,8-dihydroxy-1-oxoisochromen-6-yl)ethyl]naphtho[2,3-b]furan-4,9-dione
n-[2-(5-bromo-1h-indol-3-yl)ethenyl]-2-isopropyl-4-oxo-5-(sec-butyl)-3h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
7-(chloromethyl)-3,7,10-trihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylbut-2-enoate
(2r,3r,4r,6r,11'r,15'r)-3,4'-dihydroxy-6-methyl-2',9',13'-trioxo-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraen-4-yl acetate
(1s,3s,6r,8r,9s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
9-chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
(1s,2s,3s,6r,8r,9s,10s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
[6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate
C23H21ClO7 (444.09757460000003)