Exact Mass: 625.1729788
Exact Mass Matches: 625.1729788
Found 79 metabolites which its exact mass value is equals to given mass value 625.1729788,
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
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
Petunidin 3-rutinoside is found in banana. Petunidin 3-rutinoside is isolated from Morus sp.
Peonidin 3-sophoroside
Peonidin 3-sophoroside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Petunidin 3-rhamnoside 5-glucoside
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
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
4-O-Methyldelphinidin 3-O-rutinoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Dansylglutamyl-glycyl-arginine chloromethyl ketone
Petunidin 3-(6'-p-coumaroyl-glucoside)
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)
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
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.
GR 122222X
Petunidin 3-(6-p-coumarylglucoside)
Peonin
Malvidin 3-glucoside-4-vinylcatechol
Petunidin 3-rhamnoside-5-glucoside
Peonidin-3,5-O-di-beta-glucopyranoside
Acquisition and generation of the data is financially supported in part by CREST/JST.
Pinotin A
C31H29O14+ (625.1557233999999)
Petunidin 3-rhamnoside 5-glucoside
4'-O-Methyldelphinidin 3-O-rutinoside
Malvidin 3-glucoside-4-vinylcatechol
C31H29O14+ (625.1557233999999)
(S)-N,N-Dimethyl-1-[(R)-1,2-bis-(diphenylphosphino)ferrocenylethylamine
methyl 4-[[[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methylphenyl]sulphonyl]oxy]benzoate
[R,R]-1-[1-dimethylaminoethyl]-1,2-bis[diphenylphosphino]ferrocene
Tetrabutylphosphoniumbis(4-methyl-1,2-benzenedithiolato)niccolate(III)
Glycine, N-[2-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]ethyl]-N-[[2-oxo-4-[[(phenylMethoxy)carbonyl]aMino]-1(2H)-pyriMidinyl]acetyl]-
Dansylglutamyl-glycyl-arginine chloromethyl ketone
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
Petunidin 3-(6-p-coumaroyl-glucoside)
C31H29O14+ (625.1557233999999)
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]
quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)
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
C31H29O14+ (625.1557233999999)
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
C31H29O14+ (625.1557233999999)
(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
petunidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)
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)
An anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue
(2s)-2-({[(4r,7s)-7-({[(2s,3r)-1-[(2s)-2-aminopropanoyl]-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1λ⁴-chromen-1-ylium
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)
(2s)-2-({[(4s,7s)-7-({[(2s,3r)-1-[(2s)-2-aminopropanoyl]-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid
3-{[(2s,3r,4s,5s,6r)-3-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium
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)
[12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-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-octaen-7-yl]oxidanesulfonic acid
C30H27NO12S (625.1253902000001)