Exact Mass: 771.2347578

Exact Mass Matches: 771.2347578

Found 22 metabolites which its exact mass value is equals to given mass value 771.2347578, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Petunidin 3-(4'-p-coumaroyl-rutinoside)

2-(3,4-dihydroxy-5-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-1λ⁴-chromen-1-ylium

C37H39O18 (771.2136294)


Petunidin 3-(4-p-coumaroyl-rutinoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-(4-p-coumaroyl-rutinoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-(4-p-coumaroyl-rutinoside) can be found in potato, which makes petunidin 3-(4-p-coumaroyl-rutinoside) a potential biomarker for the consumption of this food product.

   

Peonidin 3-rutinoside-5-glucoside

Peonidin 3-rutinoside-5-glucoside

C34H43O20 (771.2347578)


   

Pelargonidin 3-(6-ferulylglucoside)-5-glucoside

Pelargonidin 3-(6-ferulylglucoside)-5-glucoside

C37H39O18 (771.2136294)


   

Peonidin 3-(6-p-coumarylglucoside)-5-glucoside

Peonidin 3-(6-p-coumarylglucoside)-5-glucoside

C37H39O18 (771.2136294)


   

Petunidin 3-(4-p-coumarylrutinoside)

Petunidin 3-(4-p-coumarylrutinoside)

C37H39O18 (771.2136294)


   

(gamma-Glu-Cys)3-Gly|Cadystin (gammaEC)3G|cadystin A|H-(gamma-Glu-Cys)3-Gly-OH|H-3-Gly-OH|H-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-Gly-OH (cadystin A <1>)

(gamma-Glu-Cys)3-Gly|Cadystin (gammaEC)3G|cadystin A|H-(gamma-Glu-Cys)3-Gly-OH|H-3-Gly-OH|H-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-gamma-L-Glu-L-Cys-Gly-OH (cadystin A <1>)

C26H41N7O14S3 (771.1873526)


   

Anthocyanin [M+]|Coumaroylated Anthocyanidin Gloucoside|3-(Coum-Rha-Glc)-Petunidin

Anthocyanin [M+]|Coumaroylated Anthocyanidin Gloucoside|3-(Coum-Rha-Glc)-Petunidin

[C37H39O18]+ (771.2136294)


   

C37H41NO17_Benzoic acid, 2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]-4-[(2,4-dimethoxy-6-methylbenzoyl)oxy]-6-methyl-, 4-[[(1-carboxyethyl)amino]carbonyl]-3-hydroxy-5-methylphenyl ester

NCGC00169908-02_C37H41NO17_Benzoic acid, 2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]-4-[(2,4-dimethoxy-6-methylbenzoyl)oxy]-6-methyl-, 4-[[(1-carboxyethyl)amino]carbonyl]-3-hydroxy-5-methylphenyl ester

C37H41NO17 (771.2374376)


   

Phytochelatin 3

Phytochelatin 3

C26H41N7O14S3 (771.1873526)


A phytochelatin that is a heptapeptide consisting of 3 units of gamma-Glu-Cys, with a glycyl unit at the C-terminus.

   
   
   

N-[[4-[(2S)-2-amino-2-[4-[2-[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]acetyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]methyl]-2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetamide

N-[[4-[(2S)-2-amino-2-[4-[2-[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]acetyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]methyl]-2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetamide

C37H41N9O6S2 (771.2621086000001)


   

Petunidin 3-(4-p-coumaroyl-rutinoside)

Petunidin 3-(4-p-coumaroyl-rutinoside)

C37H39O18+ (771.2136294)


   
   
   

[6-[[6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[6-[[6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C37H39O18+ (771.2136294)


   

Pelargonidin 3-(6'-ferulylglucoside)-5-glucoside

Pelargonidin 3-(6'-ferulylglucoside)-5-glucoside

C37H39O18 (771.2136294)


   

2-amino-4-[(1-{[1-carboxy-3-({1-[(1-carboxy-3-{[1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}propyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl}-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl)-c-hydroxycarbonimidoyl]butanoic acid

2-amino-4-[(1-{[1-carboxy-3-({1-[(1-carboxy-3-{[1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}propyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl}-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl)-c-hydroxycarbonimidoyl]butanoic acid

C26H41N7O14S3 (771.1873526)


   

2-({[4-(2-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(2,4-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy)-2-hydroxy-6-methylphenyl](hydroxy)methylidene}amino)propanoic acid

2-({[4-(2-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(2,4-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy)-2-hydroxy-6-methylphenyl](hydroxy)methylidene}amino)propanoic acid

C37H41NO17 (771.2374376)


   

(2s)-2-({[4-(2-{[(2s,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(2,4-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy)-2-hydroxy-6-methylphenyl](hydroxy)methylidene}amino)propanoic acid

(2s)-2-({[4-(2-{[(2s,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(2,4-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy)-2-hydroxy-6-methylphenyl](hydroxy)methylidene}amino)propanoic acid

C37H41NO17 (771.2374376)


   

(3-{[(2s,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-5-ylidene)[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxidanium

(3-{[(2s,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-5-ylidene)[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxidanium

[C34H43O20]+ (771.2347578)


   

(2s)-2-{[(2r)-2-{[(4s)-4-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-{[(2r)-2-{[(4s)-4-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C26H41N7O14S3 (771.1873526)