Exact Mass: 811.3825942
Exact Mass Matches: 811.3825942
Found 39 metabolites which its exact mass value is equals to given mass value 811.3825942,
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
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
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
cyclo-(cis-Pro1-Phe2-cis-Pro3-trans-Pro4-cis-Pro5-Ile6-Tyr7)|stylissamide B
cyclo-(cis-Pro1-Phe2-cis-Pro3-trans-Pro4-cis-Pro5-Ile6-Tyr7)|stylissamide B
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
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
(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
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]heptanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]heptanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]propanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]propanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]hexanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]hexanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]acetamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]acetamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]pentanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]pentanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]butanamide
N-[(4E,8E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]butanamide
Aclacinomycin A zwitterion
Aclacinomycin A zwitterion
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
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
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
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl butanoate
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2s,11r)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl butanoate
(3s,9s,12s,18s,21s,27s,30s)-27-benzyl-18-[(2s)-butan-2-yl]-11,20,29-trihydroxy-9-[(4-hydroxyphenyl)methyl]-1,7,10,16,19,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0¹²,¹⁶.0²¹,²⁵]tritriaconta-10,19,28-triene-2,8,17,26-tetrone
(3s,9s,12s,18s,21s,27s,30s)-27-benzyl-18-[(2s)-butan-2-yl]-11,20,29-trihydroxy-9-[(4-hydroxyphenyl)methyl]-1,7,10,16,19,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0¹²,¹⁶.0²¹,²⁵]tritriaconta-10,19,28-triene-2,8,17,26-tetrone
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2r,11r)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl butanoate
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4r,5r,6s)-2-{4-[(2r,11r)-11-(acetyloxy)-4-hydroxy-9-[(2s)-2-methylbutanoyl]-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl butanoate
27-benzyl-11,20,29-trihydroxy-9-[(4-hydroxyphenyl)methyl]-18-(sec-butyl)-1,7,10,16,19,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0¹²,¹⁶.0²¹,²⁵]tritriaconta-10,19,28-triene-2,8,17,26-tetrone
27-benzyl-11,20,29-trihydroxy-9-[(4-hydroxyphenyl)methyl]-18-(sec-butyl)-1,7,10,16,19,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0¹²,¹⁶.0²¹,²⁵]tritriaconta-10,19,28-triene-2,8,17,26-tetrone
(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)
15-benzyl-17,26,29-trihydroxy-24-[(4-hydroxyphenyl)methyl]-27-(sec-butyl)-1,7,13,16,22,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0⁹,¹³.0¹⁸,²²]tritriaconta-16,25,28-triene-2,8,14,23-tetrone
15-benzyl-17,26,29-trihydroxy-24-[(4-hydroxyphenyl)methyl]-27-(sec-butyl)-1,7,13,16,22,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0⁹,¹³.0¹⁸,²²]tritriaconta-16,25,28-triene-2,8,14,23-tetrone
(3s,9s,15s,18s,24s,27s,30s)-15-benzyl-27-[(2s)-butan-2-yl]-17,26,29-trihydroxy-24-[(4-hydroxyphenyl)methyl]-1,7,13,16,22,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0⁹,¹³.0¹⁸,²²]tritriaconta-16,25,28-triene-2,8,14,23-tetrone
(3s,9s,15s,18s,24s,27s,30s)-15-benzyl-27-[(2s)-butan-2-yl]-17,26,29-trihydroxy-24-[(4-hydroxyphenyl)methyl]-1,7,13,16,22,25,28-heptaazapentacyclo[28.3.0.0³,⁷.0⁹,¹³.0¹⁸,²²]tritriaconta-16,25,28-triene-2,8,14,23-tetrone
{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
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
{6-[(2-{4-[11-(acetyloxy)-4-hydroxy-9-(2-methylbutanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl butanoate
{6-[(2-{4-[11-(acetyloxy)-4-hydroxy-9-(2-methylbutanoyl)-1,5,9-triazacyclotridec-4-en-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl butanoate