Exact Mass: 444.1025
Exact Mass Matches: 444.1025
Found 75 metabolites which its exact mass value is equals to given mass value 444.1025,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Granaticin
(1R,7S,11S,13S,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),4,6(14),15-tetraene-3,9,17-trione
Rothindin
3-(2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
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
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
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
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Betavulgarin xyloside
9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one
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.
Formononetin 7-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Vulgamycin
2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
3'-O-Methylderhamnosylmaysin
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
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.
(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
(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
Betavulgarin xyloside
9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one
Formononetin 7-O-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
sermetacin
sermetacin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid
2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid
1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea
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
(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
(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
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
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
(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
1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide
1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide
3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
BMS-687453
BMS-687453
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
CCG-222740
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].
[(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
[(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
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-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
(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
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'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'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
{1,3,14,19-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
(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
[(3r,4r,5s,6s)-6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate
[(3r,4r,5s,6s)-6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate
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-{[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
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
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
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
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
(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
(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
(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
(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
(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
methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(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
(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
(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
(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
(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
[6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate
(1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
(1r,7s,11s,13s,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
(1r,7s,11s,13s,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
{4,5,13,20-tetrahydroxy-7,18-dimethyl-2,11-dioxo-8,17-dioxahexacyclo[10.8.0.0³,¹⁰.0⁴,⁶.0⁶,⁹.0¹⁴,¹⁹]icosa-1(12),3(10),13,19-tetraen-16-yl}acetic acid
{4,5,13,20-tetrahydroxy-7,18-dimethyl-2,11-dioxo-8,17-dioxahexacyclo[10.8.0.0³,¹⁰.0⁴,⁶.0⁶,⁹.0¹⁴,¹⁹]icosa-1(12),3(10),13,19-tetraen-16-yl}acetic acid
