Exact Mass: 1269.5890414
Exact Mass Matches: 1269.5890414
Found 14 metabolites which its exact mass value is equals to given mass value 1269.5890414,
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
Esculeoside A
Esculeoside A
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.
Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen
Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen
Annotation level-3
Dehydrolycoperoside G, Dehydrolycoperoside F or Dehydroescoleoside A
Dehydrolycoperoside G, Dehydrolycoperoside F or Dehydroescoleoside A
[(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
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
(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
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
(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
[(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