Exact Mass: 813.3697

Exact Mass Matches: 813.3697

Found 24 metabolites which its exact mass value is equals to given mass value 813.3697, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Aclacinomycin N

C42H55NO15 (813.3572)

An anthracycline antibiotic that is aclacinomycin A in which the keto group on the trisaccharide fragment has been reduced in a stereospecific manner to the corresponding alcohol. D000970 - Antineoplastic Agents D007155 - Immunologic Factors

aclacinomycin N

Methyl 4-{[4-(dimethylamino)-5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-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

C42H55NO15 (813.3572)

Dpp-II

5-[4-(4-{4-[bis(4-methoxyphenyl)amino]-[1,1-biphenyl]-4-yl}-2,5-dibutyl-3,6-dioxo-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl)phenyl]thiophene-2-carbaldehyde

C51H47N3O5S (813.3236)

Semax

1-[2-({1-[2-(2-{2-[2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido}-3-(3H-imidazol-4-yl)propanamido)-3-phenylpropanoyl]pyrrolidin-2-yl}formamido)acetyl]pyrrolidine-2-carboxylic acid

C37H51N9O10S (813.3479)

methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

C42H55NO15 (813.3572)

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoate

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoate

C45H53N2O12- (813.3598)

(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-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-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-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylammonio)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate

C42H55NO15 (813.3572)

N-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide

N-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide

C41H56ClN5O8S (813.3538)

5-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-N-(2-hydroxy-2-phenylethyl)-1,2-dioxo-3,4-diphenyl-8-spiro[1H-indole-3,7-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide

C51H47N3O7 (813.3414)

aclacinomycin N zwitterion

C42H55NO15 (813.3572)

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

3-{2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl}propanimidic acid

3-{2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl}propanimidic acid

C42H51N7O10 (813.3697)

(2s)-n-[(1r)-1-{[(1s)-1-{[(4s)-4-amino-4-{[(3s)-1-hydroxy-2-oxopiperidin-3-yl]-c-hydroxycarbonimidoyl}butyl](hydroxy)carbamoyl}-2-hydroxyethyl]-c-hydroxycarbonimidoyl}-2-hydroxyethyl]-2-{[(2r)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1,3-dihydroxypropylidene]amino}-5-[(1-hydroxyethylidene)amino]pentanimidic acid

(2s)-n-[(1r)-1-{[(1s)-1-{[(4s)-4-amino-4-{[(3s)-1-hydroxy-2-oxopiperidin-3-yl]-c-hydroxycarbonimidoyl}butyl](hydroxy)carbamoyl}-2-hydroxyethyl]-c-hydroxycarbonimidoyl}-2-hydroxyethyl]-2-{[(2r)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1,3-dihydroxypropylidene]amino}-5-[(1-hydroxyethylidene)amino]pentanimidic acid

C33H51N9O15 (813.3504)

(2s,3s,4r,6r)-6-{[(2r,3s,4s,5s,6r)-6-{[(1s,3s,7s,8r,9r,10s,12r,14e,16s)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoate

(2s,3s,4r,6r)-6-{[(2r,3s,4s,5s,6r)-6-{[(1s,3s,7s,8r,9r,10s,12r,14e,16s)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoate

C40H63NO16 (813.4147)

6-[(6-{[(14e)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl propanoate

6-[(6-{[(14e)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl propanoate

C40H63NO16 (813.4147)

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

C42H55NO15 (813.3572)

(2s)-5-[(2s)-2-{[(2r)-2-{[(2s)-5-amino-2-{[(2r)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxypentylidene]amino}-1,3-dihydroxypropylidene]amino}-n,3-dihydroxypropanamido]-n-[(3s)-1-hydroxy-2-oxopiperidin-3-yl]-2-[(1-hydroxyethylidene)amino]pentanimidic acid

(2s)-5-[(2s)-2-{[(2r)-2-{[(2s)-5-amino-2-{[(2r)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxypentylidene]amino}-1,3-dihydroxypropylidene]amino}-n,3-dihydroxypropanamido]-n-[(3s)-1-hydroxy-2-oxopiperidin-3-yl]-2-[(1-hydroxyethylidene)amino]pentanimidic acid

C33H51N9O15 (813.3504)

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanimidic acid

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanimidic acid

C42H51N7O10 (813.3697)

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

C42H55NO15 (813.3572)