Exact Mass: 625.1518782

Exact Mass Matches: 625.1518782

Found 27 metabolites which its exact mass value is equals to given mass value 625.1518782, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pinotin A

7-(3,4-dihydroxyphenyl)-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2lambda4,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C31H29O14+ (625.1557233999999)


Isolated from red wine including Pinotage (CCD). Pinotin A is found in grape wine and common grape. Pinotin A is found in common grape. Pinotin A is isolated from red wine including Pinotage (CCD

   

Petunidin 3-(6'-p-coumaroyl-glucoside)

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

C31H29O14 (625.1557233999999)


Petunidin 3-(6-p-coumaroyl-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. Petunidin 3-(6-p-coumaroyl-glucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-(6-p-coumaroyl-glucoside) can be found in a number of food items such as black elderberry, redcurrant, highbush blueberry, and black chokeberry, which makes petunidin 3-(6-p-coumaroyl-glucoside) a potential biomarker for the consumption of these food products.

   

Peonidin 3-(6'-caffeoyl-glucoside)

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

C31H29O14+ (625.1557233999999)


Peonidin 3-(6-caffeoyl-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. Peonidin 3-(6-caffeoyl-glucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-(6-caffeoyl-glucoside) can be found in common grape, which makes peonidin 3-(6-caffeoyl-glucoside) a potential biomarker for the consumption of this food product.

   
   

Petunidin 3-(6-p-coumarylglucoside)

2- (3,4-Dihydroxy-5-methoxyphenyl) -3- [ [ 6-O- [ 3- (4-hydroxyphenyl) acryloyl ] -beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-1-benzopyrylium

C31H29O14 (625.1557233999999)


   

Malvidin 3-glucoside-4-vinylcatechol

3,5,7,4-Tetrahydroxy-3,5-dimethoxyflavylium 3-glucoside-4-vinylcatechol

C31H29O14 (625.1557233999999)


   
   
   

Pinotin A

7-(3,4-dihydroxyphenyl)-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2$l^{4},8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C31H29O14+ (625.1557233999999)


   

Malvidin 3-glucoside-4-vinylcatechol

Malvidin 3-glucoside-4-vinylcatechol

C31H29O14+ (625.1557233999999)


   

methyl 4-[[[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methylphenyl]sulphonyl]oxy]benzoate

methyl 4-[[[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methylphenyl]sulphonyl]oxy]benzoate

C33H27N3O8S (625.1518782)


   

O-3-[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-deoxy-beta-D-glucosyl-2,3-dihydroxybenzoyl)-L-serine

O-3-[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-deoxy-beta-D-glucosyl-2,3-dihydroxybenzoyl)-L-serine

C26H29N2O16- (625.1517014)


   

Petunidin 3-(6-p-coumaroyl-glucoside)

Petunidin 3-(6-p-coumaroyl-glucoside)

C31H29O14+ (625.1557233999999)


   

beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp

beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp

C20H35NO19S (625.1523920000001)


An amino trisaccharide comprised of an N-acetylated glucosamine residue, sulfated on O-6, between two galactosyl residues. It is an intermediate in the keratan sulfate degradation pathway.

   

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

C31H29O14+ (625.1557233999999)


   
   

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

C31H29O14+ (625.1557233999999)


   
   
   
   
   

petunidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)

petunidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)

C31H29O14 (625.1557233999999)


An anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue.

   

petunidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)

petunidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)

C31H29O14 (625.1557233999999)


An anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue

   

Peonidin 3-(6'-caffeylgucoside)

Peonidin 3-(6'-caffeylgucoside)

C31H29O14 (625.1557233999999)


   

Petunidin-3-O-(6-O-p-coumaroyl)-glucoside

Petunidin-3-O-(6-O-p-coumaroyl)-glucoside

C31H29O14 (625.1557233999999)


   

17-(acetyloxy)-12-[3-(acetyloxy)-4-methoxyphenyl]-8,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17,20-nonaen-7-yl acetate

17-(acetyloxy)-12-[3-(acetyloxy)-4-methoxyphenyl]-8,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17,20-nonaen-7-yl acetate

C34H27NO11 (625.1584032000001)


   

17-(acetyloxy)-12-[4-(acetyloxy)-3-methoxyphenyl]-8,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17,20-nonaen-7-yl acetate

17-(acetyloxy)-12-[4-(acetyloxy)-3-methoxyphenyl]-8,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17,20-nonaen-7-yl acetate

C34H27NO11 (625.1584032000001)