Exact Mass: 625.1523920000001

Exact Mass Matches: 625.1523920000001

Found 66 metabolites which its exact mass value is equals to given mass value 625.1523920000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside

C27H29O17+ (625.1404684)


An anthocyanin cation comprising cyanidin(1+) having a beta-D-glucopyranuronosyl-(1->2)-beta-D-glucopyranosyl residue attached at the 3-position.

   

Petunidin 3-rutinoside

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C28H33O16 (625.1768518)


Petunidin 3-rutinoside is found in banana. Petunidin 3-rutinoside is isolated from Morus sp.

   

Peonidin 3-sophoroside

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

C28H33O16 (625.1768518)


Peonidin 3-sophoroside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Petunidin 3-rhamnoside 5-glucoside

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

C28H33O16+ (625.1768518)


Petunidin 3-rhamnoside 5-glucoside is found in common pea. Petunidin 3-rhamnoside 5-glucoside is isolated from the Leguminosae. Isolated from the Leguminosae. Petunidin 3-rhamnoside 5-glucoside is found in pulses and common pea.

   

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

   

4'-O-Methyldelphinidin 3-O-rutinoside

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C28H33O16 (625.1768518)


4-O-Methyldelphinidin 3-O-rutinoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

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.

   

Peonidin 3,5-diglucoside

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

C28H33O16 (625.1768518)


Peonidin 3,5-diglucoside 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. Peonidin 3,5-diglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3,5-diglucoside can be found in chives, common grape, pineapple, and sea-buckthornberry, which makes peonidin 3,5-diglucoside a potential biomarker for the consumption of these food products.

   

Peonidin 3-galactoside-5-glucoside

Peonidin 3-galactoside-5-glucoside

C28H33O16 (625.1768518)


   

Petunidin 3-rutinoside

3,5,7,3,4-Pentahydroxy-5-methoxyflavylium 3-rhamnosyl- (1->6) -glucoside

C28H33O16 (625.1768518)


   

Cyanidin 3-(2-glucuronosylglucoside)

Cyanidin 3-(2-glucuronosylglucoside)

C27H29O17 (625.1404684)


   

Peonidin 3-sophoroside

Peonidin 3-sophoroside

C28H33O16 (625.1768518)


   

Peonidin 3-gentiobioside

3,5,7,4-Tetrahydroxy-3-methoxyflavylium 3-glucosyl- (1->6) -glucoside

C28H33O16 (625.1768518)


   
   

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-O-beta-D-sambubioside

Malvidin 3-O-beta-D-sambubioside

C28H33O16 (625.1768518)


   

Peonin

3,5-Bis (beta-D-glucopyranosyloxy) -7-hydroxy-2- (4-hydroxy-3-methoxyphenyl) -1-benzopyrylium

C28H33O16 (625.1768518)


   

Malvidin 3-glucoside-4-vinylcatechol

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

C31H29O14 (625.1557233999999)


   

Petunidin 3-rhamnoside-5-glucoside

3,5,7,3,4-Pentahydroxy-5-methoxyflavylium 3-rhamnoside-5-glucoside

C28H33O16 (625.1768518)


   
   
   
   

Peonidin-3,5-O-di-beta-glucopyranoside

(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

[C28H33O16]+ (625.1768518)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Peonidin-3,5-O-di-beta-glucoside

Peonidin-3,5-O-di-beta-glucoside

C28H33O16 (625.1768518)


   

Peonidin-3,5-O-di-beta-glucoside

Peonidin-3,5-O-di-beta-glucoside

[C28H33O16]+ (625.1768518)


Annotation level-1

   

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)


   

Petunidin 3-rhamnoside 5-glucoside

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1$l^{4}-chromen-1-ylium

C28H33O16 (625.1768518)


   

4'-O-Methyldelphinidin 3-O-rutinoside

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C28H33O16 (625.1768518)


   

Petunidin 3-rutinoside

Petunidin 3-rutinoside

C28H33O16+ (625.1768518)


   

Malvidin 3-glucoside-4-vinylcatechol

Malvidin 3-glucoside-4-vinylcatechol

C31H29O14+ (625.1557233999999)


   

(S)-N,N-Dimethyl-1-[(R)-1,2-bis-(diphenylphosphino)ferrocenylethylamine

(S)-N,N-Dimethyl-1-[(R)-1,2-bis-(diphenylphosphino)ferrocenylethylamine

C38H37FeNP2 (625.1750492)


   
   

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)


   

[R,R]-1-[1-dimethylaminoethyl]-1,2-bis[diphenylphosphino]ferrocene

[R,R]-1-[1-dimethylaminoethyl]-1,2-bis[diphenylphosphino]ferrocene

C38H37FeNP2 (625.1750492)


   
   

Tetrabutylphosphoniumbis(4-methyl-1,2-benzenedithiolato)niccolate(III)

Tetrabutylphosphoniumbis(4-methyl-1,2-benzenedithiolato)niccolate(III)

C30H48NiPS4 (625.1729788)


   

Milvexian

Milvexian

C28H23Cl2F2N9O2 (625.1319742)


C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent

   

4-Nitrophenyl Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranoside

4-Nitrophenyl Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranoside

C24H35NO18 (625.1854050000001)


   

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)


   

Peonidin 3-O-sophoroside

Peonidin 3-O-sophoroside

C28H33O16+ (625.1768518)


   

4-O-Methyldelphinidin 3-O-rutinoside

4-O-Methyldelphinidin 3-O-rutinoside

C28H33O16+ (625.1768518)


   

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.

   

myricetin 3-O-[beta-D-glucosyl-(1->2)-alpha-L-rhamnoside]

myricetin 3-O-[beta-D-glucosyl-(1->2)-alpha-L-rhamnoside]

C27H29O17- (625.1404684)


   

quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)

quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)

C27H29O17- (625.1404684)


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside. The major species at pH 7.3.

   

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)


   
   

Cyanidin 3-(2-glucuronosylglucoside)

Cyanidin 3-(2-glucuronosylglucoside)

C27H29O17+ (625.1404684)


   

Petunidin 3-rhamnoside 5-glucoside

Petunidin 3-rhamnoside 5-glucoside

C28H33O16+ (625.1768518)


   

5-Chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid

5-Chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid

C31H30ClN2O6S2+ (625.1233730000001)


   
   

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)


   
   
   
   
   

Peonidin-3,5-O-di-beta-glucoside

Peonidin-3,5-O-di-beta-glucoside

C28H33O16+ (625.1768518)


   

Peonidin-3,5-O-di-beta-glucopyranoside

Peonidin-3,5-O-di-beta-glucopyranoside

C28H33O16+ (625.1768518)


   

(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C28H33O16+ (625.1768518)


   

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

   

Cyanidin 3-(2'-glucuronosylglucoside)

Cyanidin 3-(2'-glucuronosylglucoside)

C27H29O17 (625.1404684)


   

Peonidin 3-(6'-caffeylgucoside)

Peonidin 3-(6'-caffeylgucoside)

C31H29O14 (625.1557233999999)


   

Petunidin 3-O-sophoroside

Petunidin 3-O-sophoroside

C28H33O16 (625.1768518)


   

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

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

C31H29O14 (625.1557233999999)