Exact Mass: 713.1684354

Exact Mass Matches: 713.1684354

Found 22 metabolites which its exact mass value is equals to given mass value 713.1684354, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside

C30H33O20 (713.1565118000001)


   

disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate

disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate

C37H35N2Na2O6S2+ (713.1731830000001)


D004396 - Coloring Agents > D008086 - Lissamine Green Dyes

   

Delphinidin 3-(6'-malonylglucoside) 5-glucoside

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C30H33O20+ (713.1565118000001)


Constituent of the flowers of Cichorium intybus (chicory). Delphinidin 3-(6-malonylglucoside) 5-glucoside is found in many foods, some of which are green vegetables, chicory, coffee and coffee products, and herbs and spices. Delphinidin 3-(6-malonylglucoside) 5-glucoside is found in coffee and coffee products. Delphinidin 3-(6-malonylglucoside) 5-glucoside is a constituent of the flowers of Cichorium intybus (chicory).

   

Fura-2 acetoxymethyl

2-{[2-(5-{[(acetyloxy)methoxy]carbonyl}-1,3-oxazol-2-yl)-5-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-1-benzofuran-6-yl](carboxymethyl)amino}acetic acid

C32H31N3O16 (713.1704246)


   

Delphinidin 3-glucoside 5-(6'-malonylglucoside)

5-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C30H33O20 (713.1565118000001)


Delphinidin 3-glucoside 5-(6-malonylglucoside) is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Delphinidin 3-glucoside 5-(6-malonylglucoside) is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-glucoside 5-(6-malonylglucoside) can be found in chicory, which makes delphinidin 3-glucoside 5-(6-malonylglucoside) a potential biomarker for the consumption of this food product.

   

Delphinidin 3-(6-malonylglucoside)-5-glucoside

3,4,5,7-Tetrahydroxy-3- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) flavylium

C30H33O20 (713.1565118000001)


   

Delphinidin 3-glucoside-5-(6-malonylglucoside)

3,4,5,7-Tetrahydroxy-5- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -3- (beta-D-glucopyranosyloxy) flavylium

C30H33O20 (713.1565118000001)


   

Delphinidin 3-(6''-malonylglucoside) 5-glucoside

3-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium

C30H33O20 (713.1565118000001)


   

catASium(R) MNBn(R)Rh,3,4-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-benzyl-1H-pyrrol-2,5-dion(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

catASium(R) MNBn(R)Rh,3,4-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-benzyl-1H-pyrrol-2,5-dion(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

C31H43BF4NO2P2Rh (713.1853086)


   

1,1-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[3-acetyl-4-aminoanthraquinone]

1,1-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[3-acetyl-4-aminoanthraquinone]

C41H27N7O6 (713.2022721999999)


   

5-Acetamidofluorescein-di-(b-D-galactopyranoside)

5-Acetamidofluorescein-di-(b-D-galactopyranoside)

C34H35NO16 (713.1955750000001)


   

N-Acetylneuraminlactose sulfate

N-Acetylneuraminlactose sulfate

C23H39NO22S (713.1684354)


A linear amino trisaccharide consisting of an alpha-sialyl residue linked (2->3) to an O-6-sulfated beta-D-galactosyl residue that in turn is linked (1->4) to a D-glucopyranosyl residue at the reducing end. It is found in human and rat milk.

   

Delphinidin 3-glucoside 5-(6'-malonylglucoside)

5-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C30H33O20+ (713.1565118000001)


Delphinidin 3-glucoside 5-(6-malonylglucoside) is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Delphinidin 3-glucoside 5-(6-malonylglucoside) is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-glucoside 5-(6-malonylglucoside) can be found in chicory, which makes delphinidin 3-glucoside 5-(6-malonylglucoside) a potential biomarker for the consumption of this food product.

   

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside

C30H33O20+ (713.1565118000001)


   

NeuAc(a2-3)Gal6S(b1-6)Glc

NeuAc(a2-3)Gal6S(b1-6)Glc

C23H39NO22S (713.1684354)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C30H37N2O18+ (713.2041282)


   

[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] decanoate

[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] decanoate

C25H41N5O15P2 (713.2074296000001)


   

Delphinidin 3-O-(6-O-malonyl)-beta-glucoside-3-O-beta-glucoside

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside-3-O-beta-D-glucoside

C30H33O20+ (713.1565118000001)


   

Delphinidin 3-O-(6'-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside

Delphinidin 3-O-(6'-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside

C30H33O20 (713.1565118000001)


   

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

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

[C30H33O20]+ (713.1565118000001)


   

10,14-bis(3,4-dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)ethyl]-5,6,18,19-tetrahydroxy-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1,3,5,7,10,13,16,18,20-nonaene-9,15-dione

10,14-bis(3,4-dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)ethyl]-5,6,18,19-tetrahydroxy-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1,3,5,7,10,13,16,18,20-nonaene-9,15-dione

C40H27NO12 (713.1533182000001)