Exact Mass: 552.2478396

Exact Mass Matches: 552.2478396

Found 500 metabolites which its exact mass value is equals to given mass value 552.2478396, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

B-Raf inhibitor

N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-({6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)benzamide

C29H31F3N6O2 (552.2460462)

Oboflavanone A

PICRASINOSIDE B

C28H40O11 (552.257049)

(5R,7S,8S,9S,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-16,15-olide-18-oate

(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-16,15-olide-18-oate

C28H40O11 (552.257049)

(5R,7S,8S,9S,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-15,16-olide-18-oate

(5R*,7S*,8S*,9S*,10R*)-1-beta-D-glucopyranosyl-7alpha-acetoxycleroda-3,13-dien-15,16-olide-18-oate

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]pentanedioic acid

C25H36N4O10 (552.2431316)

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]propanoic acid

C24H40O14 (552.241794)

Fischeroside A

C28H40O11 (552.257049)

{"Ingredient_id": "HBIN001161","Ingredient_name": "13-deacetylcanadensene","Alias": "NA","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1O)OC(=O)C)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4734","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5-deacetyltaxachitriene b

C28H40O11 (552.257049)

{"Ingredient_id": "HBIN011505","Ingredient_name": "5-deacetyltaxachitriene b","Alias": "NA","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)O)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101702748","DrugBank_id": "NA"}

7-Deacetylcanadensene

[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ethanoate; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-8,12,15,15-tetramethyl-4-methylol-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; 7-deacetylcanadensene; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate

C28H40O11 (552.257049)

{"Ingredient_id": "HBIN013143","Ingredient_name": "7-Deacetylcanadensene","Alias": "[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ethanoate; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-8,12,15,15-tetramethyl-4-methylol-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; acetic acid [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetoxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] ester; 7-deacetylcanadensene; [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,9,10-triacetyloxy-5,7-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] acetate","Ingredient_formula": "C28H40O11","Ingredient_Smile": "CC1=C(C(C2=C(C(CC(C2(C)C)C(C=C(C(CC1O)O)CO)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "552.61","OB_score": "7.53251491","CAS_id": "222404-07-1","SymMap_id": "SMIT01201","TCMID_id": "4733","TCMSP_id": "MOL011386","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

7-isovaleroylcycloepiatalantin

C31H36O9 (552.2359206)

{"Ingredient_id": "HBIN013302","Ingredient_name": "7-isovaleroylcycloepiatalantin","Alias": "NA","Ingredient_formula": "C31H36O9","Ingredient_Smile": "CC(C)CC(=O)OC1C(=O)C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101135531","DrugBank_id": "NA"}

Benzoylgomisin Q

benzoylgomisin q

C31H36O9 (552.2359206)

(1r,4s,9r,12s,13s,16r,17r,18r)-17-hydroxy-12-methyl-7-oxo-17-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-5-en-18-yl acetate

(1r,4s,9r,12s,13s,16r,17r,18r)-17-(hydroxymethyl)-12-methyl-7-oxo-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-5-en-18-yl acetate

C28H40O11 (552.257049)

{15-[(4e)-hex-4-enoyl]-12-[(6e)-oct-6-en-1-yl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.0¹,¹⁰.0²,¹³.0³,⁷]octadeca-3(7),10-dien-9-yl}acetic acid

C31H36O9 (552.2359206)

[(1r,2s,3e,5s,7r,8e,10r,13s)-9,10,13-tris(acetyloxy)-2,5,7-trihydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

C28H40O11 (552.257049)

(1'r,3s,4's,7'z,8'r,9's)-5'-{[(3z,3as,4s,5s,6s,6ar)-4,6-dihydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydrocyclopenta[b]furan-3-ylidene]methyl}-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

(1'r,3s,4's,7'z,8'r,9's)-5'-{[(3z,3as,4s,5s,6s,6ar)-4,6-dihydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydrocyclopenta[b]furan-3-ylidene]methyl}-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

C31H36O9 (552.2359206)