Exact Mass: 811.3752

Exact Mass Matches: 811.3752

Found 33 metabolites which its exact mass value is equals to given mass value 811.3752, 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 (811.3415)

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

C42H53NO15 (811.3415)

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 (811.3415)

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 (811.3415)

Scytonemide B

C39H53N7O12 (811.3752)

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 (811.3415)

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

C37H65NO18 (811.4201)

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

C37H65NO18 (811.4201)

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

C37H65NO18 (811.4201)

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

C37H65NO18 (811.4201)

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

C37H65NO18 (811.4201)

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

C37H65NO18 (811.4201)

Aclacinomycin A zwitterion

C42H53NO15 (811.3415)

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

C42H53NO15 (811.3415)

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

C42H53NO15 (811.3415)

2alpha-acetoxyaustrospicatine

2α-acetoxyaustrospicatine

C43H57NO14 (811.3779)

{"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 (811.3752)

[(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

C39H61N3O15 (811.4102)

[(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

C39H61N3O15 (811.4102)

(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 (811.4004)

{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 (811.3752)

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 (811.3415)

{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

C39H61N3O15 (811.4102)