Exact Mass: 576.257
Exact Mass Matches: 576.257
Found 44 metabolites which its exact mass value is equals to given mass value 576.257,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Bafetinib
N-[3-({[4,5-bipyrimidine]-2-yl}amino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
Bafetinib is a tyrosine kinase inhibitor used to treat chronic myelogenous leukemia (CML), a cancer characterized by increased and unregulated growth of white blood cells in the bone marrow and the accumulation of these cells in the blood. Bafetinib is able to bind ABL with greater affinity than Imatinib (25-55 times more potent). It is therefore administered to patients with Imatinib resistance. Notably, Bafetinib is ineffective against the T315I mutation in BCR-ABL, and further research is necessary. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
10-carboxy-5beta,14beta-dihydroxy-bufa-3,20,22-trienolid-5-O-beta-D-glucosid
10-carboxy-5beta,14beta-dihydroxy-bufa-3,20,22-trienolid-5-O-beta-D-glucosid
(1S,4S,5S,6R,7R,8R,9R,10S)-1,6,8,15-tetra-acetoxy-9-benzoyloxy-4-hydroxy-dihydro-beta-agarofuran
(1S,4S,5S,6R,7R,8R,9R,10S)-1,6,8,15-tetra-acetoxy-9-benzoyloxy-4-hydroxy-dihydro-beta-agarofuran
5-hydroxyarenobufagin-3-O-4?,6?-dideoxy-alpha-L-allohexopyranose|kalantuboside B
5-hydroxyarenobufagin-3-O-4?,6?-dideoxy-alpha-L-allohexopyranose|kalantuboside B
C30H40O11_Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate
NCGC00347662-02_C30H40O11_Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate_major
methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate_major
Bafetinib
Bafetinib (INNO-406)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
ethyl (3s)-3-(acetyloxy)-3-[(1r,2r,5r,6r,7r,8s,10s,11s,14s)-11-(furan-3-yl)-8-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan-6-yl]propanoate
ethyl (3s)-3-(acetyloxy)-3-[(1r,2r,5r,6r,7r,8s,10s,11s,14s)-11-(furan-3-yl)-8-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan-6-yl]propanoate
12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
15-Oxokaura-16-ene-2,3,6,7,11-pentaol pentaacetate
NA
{"Ingredient_id": "HBIN001717","Ingredient_name": "15-Oxokaura-16-ene-2,3,6,7,11-pentaol pentaacetate","Alias": "NA","Ingredient_formula": "C30H40O11","Ingredient_Smile": "CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3OC(=O)C)OC(=O)C)(C)C)OC(=O)C)OC(=O)C)C)C(=O)C2=C","Ingredient_weight": "576.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "458","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101421772","DrugBank_id": "NA"}
2,3,6,8-tetrakis(acetyloxy)-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
2,3,6,8-tetrakis(acetyloxy)-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1r,2r,3s,4r,5s,7s,8s,9r,10e,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(1r,2r,3s,4r,5s,7s,8s,9r,10e,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(2r,4s,5s,7s,10s,11r,13s)-2,7,10,13-tetrakis(acetyloxy)-4,14,15,15-tetramethyl-3-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1(14),8-dien-5-yl acetate
(2r,4s,5s,7s,10s,11r,13s)-2,7,10,13-tetrakis(acetyloxy)-4,14,15,15-tetramethyl-3-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1(14),8-dien-5-yl acetate
(1r,3as,3br,7s,9as,9bs,11r,11as)-3a,11-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,7s,9as,9bs,11r,11as)-3a,11-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
[(1r,2s,3e,5s,7e,10r,13s)-2,5,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-9-oxobicyclo[9.3.1]pentadeca-3,7,11-trien-4-yl]methyl acetate
[(1r,2s,3e,5s,7e,10r,13s)-2,5,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-9-oxobicyclo[9.3.1]pentadeca-3,7,11-trien-4-yl]methyl acetate
(1s,2s,5s,7s,8r,11r,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1s,2s,5s,7s,8r,11r,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1r,3as,3br,5as,9as,9bs,11ar)-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carboxylic acid
(1r,3as,3br,5as,9as,9bs,11ar)-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carboxylic acid
12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1e,3s,4r,6s,9r,11s,12s,14s)-3,9,12,14-tetrakis(acetyloxy)-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1,7-dien-6-yl acetate
(1e,3s,4r,6s,9r,11s,12s,14s)-3,9,12,14-tetrakis(acetyloxy)-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1,7-dien-6-yl acetate
3a,11-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
3a,11-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,2r,3s,4r,5s,7s,8r,9s,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9s,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(1r,2s,5s,7s,8r,11s,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1r,2s,5s,7s,8r,11s,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1r,3r,5s,7r,8s,9r,10s,12r,14s,18r,19r,22s,23s)-8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-15-en-17-one
(1r,3r,5s,7r,8s,9r,10s,12r,14s,18r,19r,22s,23s)-8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-15-en-17-one
(1s,2r,3s,4r,5s,7s,8r,9s,10e,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9s,10e,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-10,12-dien-5-yl butanoate
(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-10-yl butanoate
(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-10-yl butanoate
8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-15-en-17-one
8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-15-en-17-one
(1r,2r,3r,4r,6s,8s,9s,10s,11s,13s)-2,3,6,8-tetrakis(acetyloxy)-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1r,2r,3r,4r,6s,8s,9s,10s,11s,13s)-2,3,6,8-tetrakis(acetyloxy)-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carboxylic acid
3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carboxylic acid
(1s,2s,5r,7r,8r,11r,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
(1s,2s,5r,7r,8r,11r,12s,15r,16r)-12-hydroxy-16-methyl-15-(6-oxopyran-3-yl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹²,¹⁶]octadecane-2-carbaldehyde
