Exact Mass: 761.2530868000001

Exact Mass Matches: 761.2530868000001

Found 27 metabolites which its exact mass value is equals to given mass value 761.2530868000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Trabectedin

(1R,2R,3R,11S,12S,14R,26R)-5,6,12-trihydroxy-6,7-dimethoxy-7,21,30-trimethyl-27-oxo-3,4-dihydro-2H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

C39H43N3O11S (761.2618168)


Trabectedin, also referred as ET-743 during its development, is a marine derived antitumoral agent discovered in the Carribean tunicate _Ecteinascidia turbinata_ and now produced synthetically. Trabectedin has a unique mechanism of action. It binds to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery. It is approved for use in Europe, Russia and South Korea for the treatment of advanced soft tissue sarcoma refractory to or unsuitable to receive anthracycline or ifosfamide chemotherapy. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

ecteinascidin 743

5,6,12-trihydroxy-6,7-dimethoxy-7,21,30-trimethyl-27-oxo-3,4-dihydro-2H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

C39H43N3O11S (761.2618168)


   

EVONINE

[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,19S*,20S*,21S*)]-10,13,14,21-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17,22-trione

C36H43NO17 (761.2530868000001)


   
   
   

C36H43NO17_Evonine

NCGC00380549-01_C36H43NO17_Evonine

C36H43NO17 (761.2530868000001)


   

sodium,[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]phenyl]methyl]-N-ethylanilino]-phenylmethanesulfonate

sodium,[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[phenyl(sulfonato)methyl]amino]phenyl]methyl]-N-ethylanilino]-phenylmethanesulfonate

C41H44N3NaO6S2 (761.2569084000002)


   
   

methyl (1R,2R,3S,11S,12S,14R,26S)-5,6,12-trihydroxy-6,7-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1-3,4-dihydro-2H-isoquinoline]-22-carboxylate

methyl (1R,2R,3S,11S,12S,14R,26S)-5,6,12-trihydroxy-6,7-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1-3,4-dihydro-2H-isoquinoline]-22-carboxylate

C39H43N3O11S (761.2618168)


   

[(1S,3R,15S,18S,19R,20R,21S,22S,24S,25R,26S)-19,20,22,25-Tetraacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

[(1S,3R,15S,18S,19R,20R,21S,22S,24S,25R,26S)-19,20,22,25-Tetraacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

Trabectedin

Trabectedin

C39H43N3O11S (761.2618168)


A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

[(1r,3s,13r,14r,17r,18r,19r,20s,21r,23s,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

[(1r,3s,13r,14r,17r,18r,19r,20s,21r,23s,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

[(1s,3s,13s,14s,17s,18s,19s,20r,21s,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

[(1s,3s,13s,14s,17s,18s,19s,20r,21s,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

(1s,2r,3r,11s,12s,14s,26r)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

(1s,2r,3r,11s,12s,14s,26r)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

C39H43N3O11S (761.2618168)


   

(1s,2r,4s,5r,6s,7s,8r,9r,12r)-12-(acetyloxy)-4,7,8-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl pyridine-3-carboxylate

(1s,2r,4s,5r,6s,7s,8r,9r,12r)-12-(acetyloxy)-4,7,8-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl pyridine-3-carboxylate

C44H43NO11 (761.2835967999999)


   

5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate

C39H43N3O11S (761.2618168)


   

(1s,12s,26s)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4(9),5,7,15,20,22-hexaen-22-yl acetate

(1s,12s,26s)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'h-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4(9),5,7,15,20,22-hexaen-22-yl acetate

C39H43N3O11S (761.2618168)


   

[(1s,3r,13s,14r,17s,18r,19r,20s,21s,23r,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

[(1s,3r,13s,14r,17s,18r,19r,20s,21s,23r,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

[19,20,22,25-tetrakis(acetyloxy)-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate

[19,20,22,25-tetrakis(acetyloxy)-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

[(1s,3r,15s,18s,19r,20r,21s,22s,24r,25r,26s)-19,20,22,25-tetrakis(acetyloxy)-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate

[(1s,3r,15s,18s,19r,20r,21s,22s,24r,25r,26s)-19,20,22,25-tetrakis(acetyloxy)-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

(1s,2r,4s,5r,6s,7s,8r,9r,12r)-12-(acetyloxy)-4,5,7-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl pyridine-3-carboxylate

(1s,2r,4s,5r,6s,7s,8r,9r,12r)-12-(acetyloxy)-4,5,7-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl pyridine-3-carboxylate

C44H43NO11 (761.2835967999999)


   

[(1s,3r,13s,14s,17s,18r,19r,20s,21s,23r,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

[(1s,3r,13s,14s,17s,18r,19r,20s,21s,23r,24r,25s)-18,19,21,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl acetate

C36H43NO17 (761.2530868000001)


   

12-(acetyloxy)-4,5,7-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl pyridine-3-carboxylate

12-(acetyloxy)-4,5,7-tris(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl pyridine-3-carboxylate

C44H43NO11 (761.2835967999999)