Exact Mass: 1081.3245

Exact Mass Matches: 1081.3245

Found 25 metabolites which its exact mass value is equals to given mass value 1081.3245, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside

3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C48H57O28+ (1081.3036)


Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside is found in brassicas. Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside is isolated from red cabbage (Brassica oleracea var. Red Danish). Isolated from red cabbage (Brassica oleracea variety Red Danish). Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside is found in brassicas.

   

Cyanidin 3-[6'-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside

3-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C48H57O28 (1081.3036)


Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside is a member of the class of compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. Anthocyanidin 3-o-6-p-coumaroyl glycosides are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside can be found in cauliflower, which makes cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside a potential biomarker for the consumption of this food product.

   

Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside] 5-O-(beta-D-glucopyranoside)

3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C51H53O26+ (1081.2825)


Pelargonidin 3-o-[2-o-(6-(e)-caffeoyl-beta-d-glucopyranosyl)-6-o-(e)-caffeoyl-beta-d-glucopyranoside] 5-o-(beta-d-glucopyranoside) is a member of the class of compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. Anthocyanidin 3-o-6-p-coumaroyl glycosides are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Pelargonidin 3-o-[2-o-(6-(e)-caffeoyl-beta-d-glucopyranosyl)-6-o-(e)-caffeoyl-beta-d-glucopyranoside] 5-o-(beta-d-glucopyranoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-[2-o-(6-(e)-caffeoyl-beta-d-glucopyranosyl)-6-o-(e)-caffeoyl-beta-d-glucopyranoside] 5-o-(beta-d-glucopyranoside) can be found in radish, which makes pelargonidin 3-o-[2-o-(6-(e)-caffeoyl-beta-d-glucopyranosyl)-6-o-(e)-caffeoyl-beta-d-glucopyranoside] 5-o-(beta-d-glucopyranoside) a potential biomarker for the consumption of this food product.

   

Pelargonidin 3-[6-(3-glucosylcaffeyl)sophoroside]-5-glucoside

Pelargonidin 3-[6-(3-glucosylcaffeyl)sophoroside]-5-glucoside

C48H57O28 (1081.3036)


   

Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside

Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside

C48H57O28 (1081.3036)


   

Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside

Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside

C51H53O26 (1081.2825)


   

Delphinidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]

Delphinidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]

C48H57O28 (1081.3036)


   

Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3-glucoside

Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3-glucoside

C48H57O28 (1081.3036)


   

Ipomoea Red anthocyanin 4

Pelargonidin 3-O- [ 2-O- (6- (E) -caffeoyl-beta-D-glucopyranosyl) -6-O- (E) -caffeoyl-beta-D-glucopyranoside ] -5-O- (beta-D-glucopyranoside)

C51H53O26 (1081.2825)


   
   

Delphinidin 3-rutinoside-7- (6-p-coumaroylglucoside) -3-glucoside

2- (3,4,5-Trihydroxyphenyl) -3- (6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy) -5-hydroxy-7- [ 3-O- [ 6-O- [ 3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium

C48H57O28 (1081.3036)


   

Cyanidin 3-[6-(4-glucosylcoumaryl)sophoroside] 5-glucoside

3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C48H57O28 (1081.3036)


   

Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)

Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)

C51H53O26 (1081.2825)


   

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 9,10,18-trihydroxyoctadecanethioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 9,10,18-trihydroxyoctadecanethioate

C39H70N7O20P3S (1081.3609)


   

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-5-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]-2-methylpentanethioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-5-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]-2-methylpentanethioate

C41H62N7O19P3S (1081.3034)


   

Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside

Cyanidin 3-[6-(4-glucosyl-p-coumaryl)sophoroside] 5-glucoside

C48H57O28+ (1081.3036)


   
   
   
   
   

Cyanidin 3-[6'-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside

Cyanidin 3-[6'-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside

C48H57O28 (1081.3036)


   

Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside

Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside

C48H57O28 (1081.3036)


   

Pelargonidin 3-[6'-(3-glucosylcaffeyl)sophoroside]-5-glucoside

Pelargonidin 3-[6'-(3-glucosylcaffeyl)sophoroside]-5-glucoside

C48H57O28 (1081.3036)


   

3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2e)-3-(4-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2e)-3-(4-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

[C48H57O28]+ (1081.3036)


   

2-(3,4-dihydroxyphenyl)-3-{[(2s,3s,4s,5s,6s)-6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxyphenyl)-3-{[(2s,3s,4s,5s,6s)-6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C51H53O26]+ (1081.2825)