Exact Mass: 1269.5625626

Exact Mass Matches: 1269.5625626

Found 18 metabolites which its exact mass value is equals to given mass value 1269.5625626, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Esculeoside A

16-[(3,4-Dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-7,9,13-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2-piperidine]-3-yl acetic acid

C58H95NO29 (1269.598946)

Esculeoside A

C58H95NO29 (1269.598946)

A steroid saponin that is spirosolane-3,23,27-triol in which the hydroxy group at position 23 is acetylated and the hydroxy groups at positions 3 and 27 are glycosylated by lycotetraosyl and a beta-D-glucopyranosyl moieties respectively. Isolated from the fruits of Lycopersicon esculentum, it exhibits cytotoxic activity.

Lycoperoside G

C58H95NO29 (1269.598946)

Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen

C58H95NO29 (1269.598946)

Annotation level-3

FR901451

C60H79N13O18 (1269.5665754000001)

Dehydrolycoperoside G, Dehydrolycoperoside F or Dehydroescoleoside A

C57H91NO30 (1269.5625626)

[(1R,3S,4S,5S,6S,7S,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2-piperidine]-3-yl] acetate

[(1R,3S,4S,5S,6S,7S,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2-piperidine]-3-yl] acetate

C58H95NO29 (1269.598946)

A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA; major species at pH 7.3.

(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA(4-)

C57H90N7O17P3S (1269.5326479999999)

An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA; major species at pH 7.3.

16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-5',7,9,13-tetramethyl-4'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-5',7,9,13-tetramethyl-4'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

C58H95NO29 (1269.598946)

(1r,2s,3's,4s,5's,6s,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9,13-trimethyl-5'-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

(1r,2s,3's,4s,5's,6s,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9,13-trimethyl-5'-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

C58H95NO29 (1269.598946)

24-[(2-amino-1,3-dihydroxybutylidene)amino]-15-benzyl-8,17,20,23,30,33,35,39,46-nonahydroxy-32-(1h-indol-3-ylmethyl)-25-methyl-21-(2-methylpropyl)-3,14,27-trioxo-4,26-dioxa-7,13,16,19,22,31,34,36,40,45-decaazatetracyclo[16.16.10.2⁶,²⁹.0⁹,¹³]hexatetraconta-7,16,19,22,30,33,35,39,45-nonaene-37-carboxylic acid

24-[(2-amino-1,3-dihydroxybutylidene)amino]-15-benzyl-8,17,20,23,30,33,35,39,46-nonahydroxy-32-(1h-indol-3-ylmethyl)-25-methyl-21-(2-methylpropyl)-3,14,27-trioxo-4,26-dioxa-7,13,16,19,22,31,34,36,40,45-decaazatetracyclo[16.16.10.2⁶,²⁹.0⁹,¹³]hexatetraconta-7,16,19,22,30,33,35,39,45-nonaene-37-carboxylic acid

C60H79N13O18 (1269.5665754000001)

(1r,2s,3'r,4s,5's,6r,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9,13-trimethyl-5'-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

(1r,2s,3'r,4s,5's,6r,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9,13-trimethyl-5'-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

C58H95NO29 (1269.598946)

(1r,2s,3's,4s,4'r,5's,6s,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-5',7,9,13-tetramethyl-4'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

(1r,2s,3's,4s,4'r,5's,6s,7s,8r,9s,12s,13s,16s,18s)-16-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-5',7,9,13-tetramethyl-4'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-3'-yl acetate

C58H95NO29 (1269.598946)

[(3r,6s,9s,15s,18s,24s,27s,30s,35as)-18-(3-carbamimidamidopropyl)-1,4,7,10,13,16,19,22,25,28-decahydroxy-6-[2-(c-hydroxycarbonimidoyl)ethyl]-3,27-bis(hydroxymethyl)-9,15-bis(1h-indol-3-ylmethyl)-24-(2-methylpropyl)-31-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,33h,34h,35h,35ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-30-yl]acetic acid

[(3r,6s,9s,15s,18s,24s,27s,30s,35as)-18-(3-carbamimidamidopropyl)-1,4,7,10,13,16,19,22,25,28-decahydroxy-6-[2-(c-hydroxycarbonimidoyl)ethyl]-3,27-bis(hydroxymethyl)-9,15-bis(1h-indol-3-ylmethyl)-24-(2-methylpropyl)-31-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,33h,34h,35h,35ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-30-yl]acetic acid

C58H79N17O16 (1269.5890414)