Exact Mass: 811.3559247999999

Exact Mass Matches: 811.3559247999999

Found 31 metabolites which its exact mass value is equals to given mass value 811.3559247999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Aclarubicin

Antibiotic MA 144A1

C42H53NO15 (811.3415028)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors

   

10-Deacetyltaxol

N-(3-{[4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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)benzenecarboximidate

C45H49NO13 (811.3203744)


   

Aclacinomycin A zwitterion

Methyl 4-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid

C42H53NO15 (811.3415028)


   

Ormosin VI

BENZENEPROPANOIC ACID, .BETA.-(BENZOYLAMINO)-.ALPHA.-HYDROXY-, (2AR,4R,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (.ALPHA.R,.BETA.S)-

C45H49NO13 (811.3203744)


7-Epi-10-deacetyltaxol is a natural product found in Taxus cuspidata with data available. 7-Epi 10-desacetyl paclitaxel (7-epi-10-deacetyltaxol), a taxol derivative, exhibits cytotoxicity against HeLa cells with an IC50 of 85 μM[1][2]. 7-Epi 10-desacetyl paclitaxel (7-epi-10-deacetyltaxol), a taxol derivative, exhibits cytotoxicity against HeLa cells with an IC50 of 85 μM[1][2].

   

10-Deacetyltaxol

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

C45H49NO13 (811.3203744)


10-Deacetyltaxol is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. 10-Deacetyltaxol is an analog of paclitaxel with antineoplastic activity. 10-Deacetyltaxol binds to and stabilizes the resulting microtubules, thereby inhibiting microtubule disassembly which results in cell- cycle arrest at the G2/M phase and apoptosis. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent 10-Deacetyltaxol (10-Deacetylpaclitaxel) is a taxane derivative isolated from Taxus wallichiana Zucc[1]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) promotes the polymerization of tubulin and to inhibit the depolymerization of microtubules induced by cold or by calcium ions in vitro[2]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) exhibits cytotoxicity in human glial and neuroblastoma cell-lines[3]. 10-Deacetyltaxol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=78432-77-6 (retrieved 2024-10-18) (CAS RN: 78432-77-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Ormosin

BENZENEPROPANOIC ACID, .BETA.-(BENZOYLAMINO)-.ALPHA.-HYDROXY-, (2AR,4R,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (.ALPHA.R,.BETA.S)-

C45H49NO13 (811.3203744)


7-Epi-10-deacetyltaxol is a natural product found in Taxus cuspidata with data available. 7-Epi 10-desacetyl paclitaxel (7-epi-10-deacetyltaxol), a taxol derivative, exhibits cytotoxicity against HeLa cells with an IC50 of 85 μM[1][2]. 7-Epi 10-desacetyl paclitaxel (7-epi-10-deacetyltaxol), a taxol derivative, exhibits cytotoxicity against HeLa cells with an IC50 of 85 μM[1][2].

   

Deacetyltaxol

7-EPI-10-DEACETYL-TAXOL

C45H49NO13 (811.3203744)


10-Deacetyltaxol (10-Deacetylpaclitaxel) is a taxane derivative isolated from Taxus wallichiana Zucc[1]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) promotes the polymerization of tubulin and to inhibit the depolymerization of microtubules induced by cold or by calcium ions in vitro[2]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) exhibits cytotoxicity in human glial and neuroblastoma cell-lines[3]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) is a taxane derivative isolated from Taxus wallichiana Zucc[1]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) promotes the polymerization of tubulin and to inhibit the depolymerization of microtubules induced by cold or by calcium ions in vitro[2]. 10-Deacetyltaxol (10-Deacetylpaclitaxel) exhibits cytotoxicity in human glial and neuroblastoma cell-lines[3].

   
   
   
   
   
   
   
   

methyl (7E,9Z,11R,12S,13R,14R,15R,17R,18S,19S,20E)-2,16-diacetyloxy-12,14,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

methyl (7E,9Z,11R,12S,13R,14R,15R,17R,18S,19S,20E)-2,16-diacetyloxy-12,14,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

C42H53NO15 (811.3415028)


   

methyl (7E,9Z,11R,12S,13S,14R,15S,16R,17S,18S,19S,20E)-2,12-diacetyloxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

methyl (7E,9Z,11R,12S,13S,14R,15S,16R,17S,18S,19S,20E)-2,12-diacetyloxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate

C42H53NO15 (811.3415028)


   

Scytonemide B

Scytonemide B

C39H53N7O12 (811.3752018)


A natural product found in Scytonema hofmanni.

   

(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylammonio)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate

(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylammonio)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate

C42H53NO15 (811.3415028)


   

Aclacinomycin A zwitterion

Aclacinomycin A zwitterion

C42H53NO15 (811.3415028)


A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

Aclacinomycin a

Aclacinomycin a

C42H53NO15 (811.3415028)


An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity.

   

methyl 4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C42H53NO15 (811.3415028)


   

10-deactyltaxol

NA

C45H49NO13 (811.3203744)


{"Ingredient_id": "HBIN000095","Ingredient_name": "10-deactyltaxol","Alias": "NA","Ingredient_formula": "C45H49NO13","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30477","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2alpha-acetoxyaustrospicatine

2α-acetoxyaustrospicatine

C43H57NO14 (811.3778861999999)


{"Ingredient_id": "HBIN005269","Ingredient_name": "2alpha-acetoxyaustrospicatine","Alias": "2\u03b1-acetoxyaustrospicatine","Ingredient_formula": "C43H57NO14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25537;127","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

[(3s,6r,9s,12s,15s)-12-benzyl-5,8,11,14,17-pentahydroxy-6-[3-(c-hydroxycarbonimidoylamino)propyl]-15-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2-oxo-19-pentyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-3-yl]acetic acid

[(3s,6r,9s,12s,15s)-12-benzyl-5,8,11,14,17-pentahydroxy-6-[3-(c-hydroxycarbonimidoylamino)propyl]-15-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2-oxo-19-pentyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-3-yl]acetic acid

C39H53N7O12 (811.3752018)


   

n-[(1s,2r)-3-{[(1s,2s,4s,7r,9r,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

n-[(1s,2r)-3-{[(1s,2s,4s,7r,9r,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

C45H49NO13 (811.3203744)


   

(1r,2r,3as,3bs,9ar,9br,11ar)-1-[(2r,5r)-2,6-dihydroxy-6-methyl-3-oxo-5-(9h-purin-6-ylamino)heptan-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione

(1r,2r,3as,3bs,9ar,9br,11ar)-1-[(2r,5r)-2,6-dihydroxy-6-methyl-3-oxo-5-(9h-purin-6-ylamino)heptan-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione

C41H57N5O12 (811.4003521999999)


   

n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9r,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9r,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

C45H49NO13 (811.3203744)


   

{12-benzyl-5,8,11,14,17-pentahydroxy-6-[3-(c-hydroxycarbonimidoylamino)propyl]-15-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2-oxo-19-pentyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-3-yl}acetic acid

{12-benzyl-5,8,11,14,17-pentahydroxy-6-[3-(c-hydroxycarbonimidoylamino)propyl]-15-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2-oxo-19-pentyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-3-yl}acetic acid

C39H53N7O12 (811.3752018)


   

methyl (1s,2r,4s)-4-{[(2s,4r,5s,6s)-4-(dimethylamino)-6-methyl-5-{[(2s,5s,6s)-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r,4s)-4-{[(2s,4r,5s,6s)-4-(dimethylamino)-6-methyl-5-{[(2s,5s,6s)-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C42H53NO15 (811.3415028)


   

n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

n-[(1s,2r)-3-{[(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-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]benzenecarboximidic acid

C45H49NO13 (811.3203744)