Exact Mass: 809.3165
Exact Mass Matches: 809.3165
Found 26 metabolites which its exact mass value is equals to given mass value 809.3165,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
MA 144 Y
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
D000970 - Antineoplastic Agents D007155 - Immunologic Factors
Aclacinomycin B
methyl 4-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
D000970 - Antineoplastic Agents D007155 - Immunologic Factors
Aclacinomycin Y
methyl 4-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-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-carboxylate
D000970 - Antineoplastic Agents D007155 - Immunologic Factors
Aclacinomycin B
Aclacinomycin B
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor 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 D000970 - Antineoplastic Agents D007155 - Immunologic Factors
(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-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylazaniumyl)-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-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
D000970 - Antineoplastic Agents D007155 - Immunologic Factors
aclacinomycin Y zwitterion
aclacinomycin Y zwitterion
A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin Y. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Aclacinomycin y
Aclacinomycin y
An anthracycline antibiotic that is aclacinomycin A in which the ketone function on the trisaccharide fragment has undergone 2,3-dehydrogenation to afford the corresponding enone.
methyl (1r,2r,4s)-4-{[(2r,4s,5s,6s)-5-{[(1r,3r,5s,8r,10s,12r,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-4-{[(2r,4s,5s,6s)-5-{[(1r,3r,5s,8r,10s,12r,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl 4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxo-2,6-dihydropyran-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl 4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxo-2,6-dihydropyran-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
4-acetylaminoethylphenyl-1-o-[6-o-(z)-p-meth-oxycinnamoyl-β-d-glucopyranosyl(1→2)]-[β-d-glucopyranosyl(1→3)]-α-l-rhamnopyrano-side
NA
{"Ingredient_id": "HBIN010167","Ingredient_name": "4-acetylaminoethylphenyl-1-o-[6-o-(z)-p-meth-oxycinnamoyl-\u03b2-d-glucopyranosyl(1\u21922)]-[\u03b2-d-glucopyranosyl(1\u21923)]-\u03b1-l-rhamnopyrano-side","Alias": "NA","Ingredient_formula": "C38H51NO18","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=CC=C(C=C2)CCNC(=O)C)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)OC)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "313","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
n-[2-(4-{[(2s,3r,4r,5s,6s)-5-hydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
n-[2-(4-{[(2s,3r,4r,5s,6s)-5-hydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
methyl (1r,2s,4s)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2r,4s,5r,6r)-4-hydroxy-6-methyl-5-{[(2r,6r)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2s,4s)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2r,4s,5r,6r)-4-hydroxy-6-methyl-5-{[(2r,6r)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r)-4-{[(2r,4s,5s,6s)-5-{[(5s,12s,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r)-4-{[(2r,4s,5s,6s)-5-{[(5s,12s,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(2z)-n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
(2z)-n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
(2e)-n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
(2e)-n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
methyl (1r,2r,4s)-4-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-4-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
n-(2-{4-[(5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]phenyl}ethyl)ethanimidic acid
n-(2-{4-[(5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]phenyl}ethyl)ethanimidic acid
n-[2-(4-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-methyl-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-({[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
n-[2-(4-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-methyl-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-({[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
n-[2-(4-{[(2s,3r,4r,5s,6s)-5-(acetyloxy)-6-methyl-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}phenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
methyl (1r,2r,4s)-4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxo-2,6-dihydropyran-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-4-{[4-(dimethylamino)-6-methyl-5-({6-methyl-5-[(6-methyl-5-oxo-2,6-dihydropyran-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r)-4-{[(2r,4s,5s,6s)-5-{[(1r,3r,5s,8s,10s,12s,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r)-4-{[(2r,4s,5s,6s)-5-{[(1r,3r,5s,8s,10s,12s,14s)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
