Exact Mass: 831.3544894

Exact Mass Matches: 831.3544894

Found 37 metabolites which its exact mass value is equals to given mass value 831.3544894, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Taxol B

Benzenepropanoic acid, alpha-hydroxy-beta-((2-methyl-1-oxo-2-butenyl)amino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(aR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-

C45H53NO14 (831.3465878)


Taxol B is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. Cephalomannine is a diterpene taxane obtained from the bark and leaves of the yew tree (Taxus brevifolia) and can convert to taxol. (NCI) Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog and isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2]. Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog that can be isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2][3][4]. Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog and isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2].

   

Eptifibatide

Eptifibatide acetate salt

C35H49N11O9S2 (831.3155984000001)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Eptifibatide is a cyclic heptapeptide, acts as a competitive antagonist for the activated platelet glycoprotein IIb/IIIa receptor, with anti-platelet activity[1].

   

Cephalomannine

N-(3-{[4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)-2-methylbut-2-enimidate

C45H53NO14 (831.3465878)


   

Eptifibatide

2-[11-(4-Carbamimidamidobutyl)-1,9,12,15,18-pentahydroxy-3-(C-hydroxycarbonimidoyl)-20-[(1H-indol-3-yl)methyl]-21-oxo-3H,4H,7H,8H,11H,14H,17H,20H,21H,23H,24H,25H,25ah-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetate

C35H49N11O9S2 (831.3155984000001)


   

Larotaxel

[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate

C45H53NO14 (831.3465878)


   
   
   
   

Cephalomannine

[(1S,2S,3R,4S,7R,9R,10S,12S,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

C45H53NO14 (831.3465878)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.172 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.307 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.248 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.291 Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog and isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2]. Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog that can be isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2][3][4]. Cephalomannine is a Paclitaxel (HY-B0015) alkaloidal analog and isolated from most Cephalotaxus species. Cephalomannine is an orally active anti-tumor agent and can be used as a chemotherapy agent for cancer research[1][2].

   
   

Galb1-3[Neu5Aca2,6]GalNAca-Thr

Galb1-3[Neu5Aca2,6]GalNAca-Thr

C32H53N3O22 (831.3120558)


   
   

Larotaxel

Larotaxel

C45H53NO14 (831.3465878)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

   

Eptifibatide Acetate

Eptifibatide Acetate

C35H49N11O9S2 (831.3155984000001)


D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

   
   

1-(mycothiol-S-yl)-N-demethyllincomycin

1-(mycothiol-S-yl)-N-demethyllincomycin

C33H59N4O18S+ (831.3544894)


   
   

[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

C45H53NO14 (831.3465878)


   

(E)-15-amino-12-[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid

(E)-15-amino-12-[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid

C37H61N5O12S2 (831.3757946000001)


   

(E,12R)-15-amino-13-[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-3,7,12-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid

(E,12R)-15-amino-13-[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-3,7,12-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid

C37H61N5O12S2 (831.3757946000001)


   

[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(Z)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(Z)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

C45H53NO14 (831.3465878)


   

Abz-FR-K(Dnp)-P-OH

Abz-FR-K(Dnp)-P-OH

C39H49N11O10 (831.3663694)


Abz-FR-K(Dnp)-P-OH is an angiotensin I-converting enzyme (ACE) substrate and an internally quenched fluorogenic substrate for real time fluorescent assay[1].

   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-4-hydroxy-9-(2-methylpropanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-4-hydroxy-9-(2-methylpropanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C41H57N3O15 (831.3789492)


   

2-debenzoyl-2-tigloyltaxol

NA

C45H53NO14 (831.3465878)


{"Ingredient_id": "HBIN005513","Ingredient_name": "2-debenzoyl-2-tigloyltaxol","Alias": "NA","Ingredient_formula": "C45H53NO14","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C(C(CC3C2(CO3)OC(=O)C)O)(C(=O)C(C4=C(C(CC1(C4(C)C)O)OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)C)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e)-n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9r,10s,12r)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

(2e)-n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9r,10s,12r)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

C45H53NO14 (831.3465878)


   

methyl 4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-6-methyl-4-(methylamino)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-6-methyl-4-(methylamino)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C41H53NO17 (831.3313327999999)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C41H57N3O15 (831.3789492)


   

(2e)-n-[(1r,2s)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

(2e)-n-[(1r,2s)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

C45H53NO14 (831.3465878)


   

(2e)-n-[(1s,2r)-3-{[(1s,2s,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

(2e)-n-[(1s,2r)-3-{[(1s,2s,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

C45H53NO14 (831.3465878)


   

(2r,3r,4r,5s,6r)-2-{[(2r,3s,4r,5r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(2r,3s,4r)-4,6-dihydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-n,n,n-trimethyloxan-3-aminium

(2r,3r,4r,5s,6r)-2-{[(2r,3s,4r,5r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(2r,3s,4r)-4,6-dihydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-n,n,n-trimethyloxan-3-aminium

[C33H59N4O20]+ (831.3722474)


   

n-(3-{[(1s,3s,4s,10s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)-2-methylbut-2-enimidic acid

n-(3-{[(1s,3s,4s,10s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)-2-methylbut-2-enimidic acid

C45H53NO14 (831.3465878)


   

n-[(1r,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-2-{[(2e)-2-methylbut-2-enoyl]oxy}-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]benzenecarboximidic acid

n-[(1r,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-2-{[(2e)-2-methylbut-2-enoyl]oxy}-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]benzenecarboximidic acid

C45H53NO14 (831.3465878)


   

(2e)-n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

(2e)-n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-2-(benzoyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]-2-methylbut-2-enimidic acid

C45H53NO14 (831.3465878)


   

{6-[(2-{4-[11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

{6-[(2-{4-[11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

C41H57N3O15 (831.3789492)


   

2-[(6-{[6-({4,6-dihydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-n,n,n-trimethyloxan-3-aminium

2-[(6-{[6-({4,6-dihydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-n,n,n-trimethyloxan-3-aminium

[C33H59N4O20]+ (831.3722474)


   

[(2r,3r,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2r,11s)-11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

[(2r,3r,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2r,11s)-11-(acetyloxy)-9-butanoyl-4-hydroxy-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C41H57N3O15 (831.3789492)


   

{6-[(2-{4-[11-(acetyloxy)-4-hydroxy-9-(2-methylpropanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

{6-[(2-{4-[11-(acetyloxy)-4-hydroxy-9-(2-methylpropanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

C41H57N3O15 (831.3789492)