Exact Mass: 831.392

Exact Mass Matches: 831.392

Found 35 metabolites which its exact mass value is equals to given mass value 831.392, 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 (831.3466)


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].

   

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 (831.3466)


   

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 (831.3466)


   
   
   

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 (831.3466)


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].

   

7-epi-Cephalomannine

7-epi-Cephalomannine

C45H53NO14 (831.3466)


   

erythromycin phosphate

erythromycin phosphate

C37H70NO17P (831.4381)


   

ledipasvir interMediate

ledipasvir interMediate

C47H51F2N7O5 (831.392)


   

Larotaxel

Larotaxel

C45H53NO14 (831.3466)


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

   
   

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

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

C33H59N4O18S+ (831.3545)


   
   

[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 (831.3466)


   

(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 (831.3758)


   

(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 (831.3758)


   

[(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 (831.3466)


   
   
   

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

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

C39H49N11O10 (831.3664)


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].

   

TRV055

TRV055

C42H57N9O9 (831.4279)


TRV055, a G-protein-biased agonist, is a Gq-biased ligand of the angiotensin II receptor type 1 (AT1R). TRV055 is efficacious in stimulating cellular Gq-mediated signaling[1]. TRV055, a G-protein-biased agonist, is a Gq-biased ligand of the angiotensin II receptor type 1 (AT1R). TRV055 is efficacious in stimulating cellular Gq-mediated signaling[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 (831.3789)


   

2-debenzoyl-2-tigloyltaxol

NA

C45H53NO14 (831.3466)


{"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 (831.3466)


   

[(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 (831.3789)


   

(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 (831.3466)


   

(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 (831.3466)


   

(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]+ (831.3722)


   

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 (831.3466)


   

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 (831.3466)


   

(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 (831.3466)


   

{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 (831.3789)


   

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]+ (831.3722)


   

[(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 (831.3789)


   

{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 (831.3789)