Exact Mass: 537.1634882000001
Exact Mass Matches: 537.1634882000001
Found 250 metabolites which its exact mass value is equals to given mass value 537.1634882000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Demethylsimmondsin 2'-(Z)-ferulate
3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products. 3-Demethylsimmondsin 2-(Z)-ferulate is a constituent of jojoba meal Constituent of jojoba meal. 3-Demethylsimmondsin 2-(Z)-ferulate is found in coffee and coffee products, fats and oils, and nuts.
4-Demethylsimmondsin 2'-(E)-ferulate
4-Demethylsimmondsin 2-(E)-ferulate is found in coffee and coffee products. 4-Demethylsimmondsin 2-(E)-ferulate is a constituent of jojoba meal Constituent of jojoba meal. 4-Demethylsimmondsin 2-(E)-ferulate is found in coffee and coffee products, fats and oils, and nuts.
N-[4-[(4As)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide
C32H28ClN3O3 (537.1819088000001)
Desmethyl Bosentan
N-(2,12-dimethoxy-3,11,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiazano-benzo[4,5]azocino[1,2-b]isoquinolin-9-ylmethyl)-2-oxo-propionamide|Saframycin B
4-(2-hydroxyethyl)phenyl 5-O-nicotinyl-beta-D-apiofuranosyl(1->2)-beta-D-glucopyranoside|cucurbitoside H
(2S,3S,4R,4aS,6S,11bS)-1,2,3,4,5,6-hexahydro-3,4-dimethoxy-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl-(2Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-(Z)-3-hydroxy-4-methoxycinnamate|hernsubanine A
Ala Met Met Trp
C24H35N5O5S2 (537.2079500000001)
Ala Met Trp Met
C24H35N5O5S2 (537.2079500000001)
Ala Trp Met Met
C24H35N5O5S2 (537.2079500000001)
Cys Asp Asp Trp
C22H27N5O9S (537.1529412000001)
Cys Asp Trp Asp
C22H27N5O9S (537.1529412000001)
Cys Glu Met Arg
Cys Glu Arg Met
Cys Glu Thr Trp
Cys Glu Trp Thr
Cys Met Glu Arg
Cys Met Arg Glu
Cys Met Val Trp
C24H35N5O5S2 (537.2079500000001)
Cys Met Trp Val
C24H35N5O5S2 (537.2079500000001)
Cys Arg Glu Met
Cys Arg Met Glu
Cys Thr Glu Trp
Cys Thr Trp Glu
Cys Val Met Trp
C24H35N5O5S2 (537.2079500000001)
Cys Val Trp Met
C24H35N5O5S2 (537.2079500000001)
Cys Trp Asp Asp
C22H27N5O9S (537.1529412000001)
Cys Trp Glu Thr
Cys Trp Met Val
C24H35N5O5S2 (537.2079500000001)
Cys Trp Thr Glu
Cys Trp Val Met
C24H35N5O5S2 (537.2079500000001)
Asp Cys Asp Trp
C22H27N5O9S (537.1529412000001)
Asp Cys Trp Asp
C22H27N5O9S (537.1529412000001)
Asp Asp Cys Trp
C22H27N5O9S (537.1529412000001)
Asp Asp Trp Cys
C22H27N5O9S (537.1529412000001)
Asp Glu Phe Gln
Asp Glu Gln Phe
Asp Phe Glu Gln
Asp Phe Gln Glu
Asp Met Ser Trp
Asp Met Trp Ser
Asp Gln Glu Phe
Asp Gln Phe Glu
Asp Ser Met Trp
Asp Ser Trp Met
Asp Trp Cys Asp
C22H27N5O9S (537.1529412000001)
Asp Trp Asp Cys
C22H27N5O9S (537.1529412000001)
Asp Trp Met Ser
Asp Trp Ser Met
Glu Cys Met Arg
Glu Cys Arg Met
Glu Cys Thr Trp
Glu Cys Trp Thr
Glu Asp Phe Gln
Glu Asp Gln Phe
Glu Glu Phe Asn
Glu Glu Asn Phe
Glu Phe Asp Gln
Glu Phe Glu Asn
Glu Phe Asn Glu
Glu Phe Gln Asp
Glu Met Cys Arg
Glu Met Met Gln
C20H35N5O8S2 (537.1926950000001)
Glu Met Gln Met
C20H35N5O8S2 (537.1926950000001)
Glu Met Arg Cys
Glu Asn Glu Phe
Glu Asn Phe Glu
Glu Gln Asp Phe
Glu Gln Phe Asp
Glu Gln Met Met
C20H35N5O8S2 (537.1926950000001)
Glu Arg Cys Met
Glu Arg Met Cys
Glu Thr Cys Trp
Glu Thr Trp Cys
Glu Trp Cys Thr
Glu Trp Thr Cys
Phe Asp Glu Gln
Phe Asp Gln Glu
Phe Glu Asp Gln
Phe Glu Glu Asn
Phe Glu Asn Glu
Phe Glu Gln Asp
Phe Asn Glu Glu
Phe Gln Asp Glu
Phe Gln Glu Asp
His His Met Asn
His His Asn Met
His Met His Asn
His Met Asn His
His Asn His Met
His Asn Met His
Met Ala Met Trp
C24H35N5O5S2 (537.2079500000001)
Met Ala Trp Met
C24H35N5O5S2 (537.2079500000001)
Met Cys Glu Arg
Met Cys Arg Glu
Met Cys Val Trp
C24H35N5O5S2 (537.2079500000001)
Met Cys Trp Val
C24H35N5O5S2 (537.2079500000001)
Met Asp Ser Trp
Met Asp Trp Ser
Met Glu Cys Arg
Met Glu Met Gln
C20H35N5O8S2 (537.1926950000001)
Met Glu Gln Met
C20H35N5O8S2 (537.1926950000001)
Met Glu Arg Cys
Met His His Asn
Met His Asn His
Met Met Ala Trp
C24H35N5O5S2 (537.2079500000001)
Met Met Glu Gln
C20H35N5O8S2 (537.1926950000001)
Met Met Gln Glu
C20H35N5O8S2 (537.1926950000001)
Met Met Trp Ala
C24H35N5O5S2 (537.2079500000001)
Met Asn His His
Met Gln Glu Met
C20H35N5O8S2 (537.1926950000001)
Met Gln Met Glu
C20H35N5O8S2 (537.1926950000001)
Met Arg Cys Glu
Met Arg Glu Cys
Met Ser Asp Trp
Met Ser Trp Asp
Met Val Cys Trp
C24H35N5O5S2 (537.2079500000001)
Met Val Trp Cys
C24H35N5O5S2 (537.2079500000001)
Met Trp Ala Met
C24H35N5O5S2 (537.2079500000001)
Met Trp Cys Val
C24H35N5O5S2 (537.2079500000001)
Met Trp Asp Ser
Met Trp Met Ala
C24H35N5O5S2 (537.2079500000001)
Met Trp Ser Asp
Met Trp Val Cys
C24H35N5O5S2 (537.2079500000001)
Asn Glu Glu Phe
Asn Glu Phe Glu
Asn Phe Glu Glu
Asn His His Met
Asn His Met His
Asn Met His His
Gln Asp Glu Phe
Gln Asp Phe Glu
Gln Glu Asp Phe
Gln Glu Phe Asp
Gln Glu Met Met
C20H35N5O8S2 (537.1926950000001)
Gln Phe Asp Glu
Gln Phe Glu Asp
Gln Met Glu Met
C20H35N5O8S2 (537.1926950000001)
Gln Met Met Glu
C20H35N5O8S2 (537.1926950000001)
Arg Cys Glu Met
Arg Cys Met Glu
Arg Glu Cys Met
Arg Glu Met Cys
Arg Met Cys Glu
Arg Met Glu Cys
Ser Asp Met Trp
Ser Asp Trp Met
Ser Met Asp Trp
Ser Met Trp Asp
Ser Trp Asp Met
Ser Trp Met Asp
Thr Cys Glu Trp
Thr Cys Trp Glu
Thr Glu Cys Trp
Thr Glu Trp Cys
Thr Trp Cys Glu
Thr Trp Glu Cys
Val Cys Met Trp
C24H35N5O5S2 (537.2079500000001)
Val Cys Trp Met
C24H35N5O5S2 (537.2079500000001)
Val Met Cys Trp
C24H35N5O5S2 (537.2079500000001)
Val Met Trp Cys
C24H35N5O5S2 (537.2079500000001)
Val Trp Cys Met
C24H35N5O5S2 (537.2079500000001)
Val Trp Met Cys
C24H35N5O5S2 (537.2079500000001)
Trp Ala Met Met
C24H35N5O5S2 (537.2079500000001)
Trp Cys Asp Asp
C22H27N5O9S (537.1529412000001)
Trp Cys Glu Thr
Trp Cys Met Val
C24H35N5O5S2 (537.2079500000001)
Trp Cys Thr Glu
Trp Cys Val Met
C24H35N5O5S2 (537.2079500000001)
Trp Asp Cys Asp
C22H27N5O9S (537.1529412000001)
Trp Asp Asp Cys
C22H27N5O9S (537.1529412000001)
Trp Asp Met Ser
Trp Asp Ser Met
Trp Glu Cys Thr
Trp Glu Thr Cys
Trp Met Ala Met
C24H35N5O5S2 (537.2079500000001)
Trp Met Cys Val
C24H35N5O5S2 (537.2079500000001)
Trp Met Asp Ser
Trp Met Met Ala
C24H35N5O5S2 (537.2079500000001)
Trp Met Ser Asp
Trp Met Val Cys
C24H35N5O5S2 (537.2079500000001)
Trp Ser Asp Met
Trp Ser Met Asp
Trp Thr Cys Glu
Trp Thr Glu Cys
Trp Val Cys Met
C24H35N5O5S2 (537.2079500000001)
Trp Val Met Cys
C24H35N5O5S2 (537.2079500000001)
4-Demethylsimmondsin 2'-(E)-ferulate
3-Demethylsimmondsin 2'-(Z)-ferulate
Methanesulfonamide,N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl
(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione
N-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-D]pyrimidin-5-YL]phenyl}-N-[2-fluoro-5-(trifluoromethyl)phenyl]urea
N-[4-[(4As)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide
C32H28ClN3O3 (537.1819088000001)
4-(Diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester
C27H27N3O5S2 (537.1392052000001)
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide
C28H26F3N5OS (537.1810062000001)
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide
C25H23N5O5S2 (537.1140548000001)
N-naphthalen-2-yl-2-[[6-[[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylmethyl]pyridin-2-yl]methylsulfanyl]acetamide
(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
C29H26F3N3O4 (537.1875312000001)
6-O-(2-amino-2-deoxy-alpha-D-glucosyl)-1D-myo-inositol 1-(6-mercaptohexyl)phosphate
4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
AR-C118925XX
AR-C118925XX is a selective P2Y2 receptor antagonist. AR-C118925XX inhibits ATP-induced IL-6 production and phosphorylation of p38. AR-C118925XX also inhibits Bleomycin (HY-108345)-induced dermal fibrosis in mice. AR-C118925XX also inhibits ATP-induced tumor growth[1][2].
OP-5244
OP-5244 is a potent and orally active inhibitor of CD73, with an IC50 of 0.25 nM. OP-5244 reverses immunosuppression through blocking of adenosine production, and has the potential for the cancer research[1].
(1r,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione
14-deoxy-12-(cysteine-s-yl)-andrographo-lide-3-o-sulfate
{"Ingredient_id": "HBIN001409","Ingredient_name": "14-deoxy-12-(cysteine-s-yl)-andrographo-lide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C23H39NO9S2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-{[2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4r,5s)-2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-aminobenzoate
2-{[2-(cyanomethylidene)-3,4-dihydroxy-5-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
(1s,14s,15r)-15-{[(5ar,6r,8r,9r,9as)-8-(hydroxymethyl)-9-methoxy-hexahydro-2h-pyrano[3,4-f][1,3,5]trioxepin-6-yl]oxy}-14-hydroxy-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione
(3s,6r)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
C28H27NO10 (537.1634882000001)
[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
C27H21F2N3O7 (537.1347499999999)
[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate
3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-6,20-difluoro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
C27H21F2N3O7 (537.1347499999999)
18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C24H32ClN5O7 (537.1990152000001)
9-ethyl-4,25-dihydroxy-12-(1-hydroxyethyl)-3,16-dimethyl-13-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,14,15,19,23-pentone
(1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid
C22H27N5O11 (537.1706992000001)
(3s,6s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-3-[(1r)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
C28H27NO10 (537.1634882000001)
(2r,3r,4s,5s,6r)-2-{[(1r,2z,3s,4s,5s)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3s,6s,9r,13s,18r,18ar)-18-chloro-3-ethyl-1,4,7,11-tetrahydroxy-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C24H32ClN5O7 (537.1990152000001)
[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl pyridine-2-carboxylate
n-{[(1s,2s,10r,13r)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide
(10z,17z,19r,26r)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.0⁵,²⁵.0²²,²⁶]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone
19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-3-(1-hydroxyethyl)-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
C28H27NO10 (537.1634882000001)