Exact Mass: 639.1789

Exact Mass Matches: 639.1789

Found 23 metabolites which its exact mass value is equals to given mass value 639.1789, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

CMP-pseudaminic acid

CMP-pseudaminic acid

C22H34N5O15P (639.1789)


   

CMP-N,N-diacetyllegionaminic acid

CMP-N,N-diacetyllegionaminic acid

C22H34N5O15P (639.1789)


   
   

Malvidin 3-(6-coumaroylglucoside)

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

C32H31O14 (639.1714)


Malvidin 3-(6-coumaroylglucoside) is found in alcoholic beverages. Malvidin 3-(6-coumaroylglucoside) is a pigment of skins of black grapes, found in red wine. Pigment of skins of black grapes, found in red wine

   

Malvidin 3-glucoside-4-vinylguaiacol

11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C32H31O14+ (639.1714)


Malvidin 3-glucoside-4-vinylguaiacol is found in alcoholic beverages. Malvidin 3-glucoside-4-vinylguaiacol is a pigment isolated from various red wines [CCD]. Pigment isolated from various red wines [CCD]. Malvidin 3-glucoside-4-vinylguaiacol is found in alcoholic beverages and common grape.

   

Malvidin 3-(6'-p-coumarylglucoside)

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

C32H31O14 (639.1714)


Malvidin 3-(6-p-coumarylglucoside) is a member of the class of compounds known as flavonoid 3-o-p-coumaroyl glycosides. Flavonoid 3-o-p-coumaroyl glycosides are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified 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. Malvidin 3-(6-p-coumarylglucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-(6-p-coumarylglucoside) can be synthesized from cis-4-coumaric acid. Malvidin 3-(6-p-coumarylglucoside) can also be synthesized into malvidin. Malvidin 3-(6-p-coumarylglucoside) can be found in common grape and grape, which makes malvidin 3-(6-p-coumarylglucoside) a potential biomarker for the consumption of these food products. Malvidin 3-(6-p-coumarylglucoside) may be a unique S.cerevisiae (yeast) metabolite.

   

Malvidin 3-(6-p-coumarylglucoside)

3,5,7,4-Tetrahydroxy-3,5-dimethoxyflavylium 3- (6"-p-coumarylglucoside)

C32H31O14 (639.1714)


   

Malvidin 3-(6-coumaroylglucoside)

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C32H31O14 (639.1714)


   

Malvidin 3-(6-p-coumarylglucoside)

Malvidin 3-(6-p-coumarylglucoside)

C32H31O14+ (639.1714)


   

Malvidin 3-glucoside-4-vinylguaiacol

Malvidin 3-glucoside-4-vinylguaiacol

C32H31O14+ (639.1714)


   

(R)-2-(BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)PYRROLIDINE

(R)-2-(BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)PYRROLIDINE

C27H29F12NOSi (639.1827)


   

10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine di[(2Z)-but-2-enedioic acid]

10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine di[(2Z)-but-2-enedioic acid]

C29H32F3N3O8S (639.1862)


   

5-Acetamido-6-(1-acetamido-2-hydroxypropyl)-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxane-2-carboxylic acid

5-Acetamido-6-(1-acetamido-2-hydroxypropyl)-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxane-2-carboxylic acid

C22H34N5O15P (639.1789)


   

CMP-5,7-Di-N-acetyl-acinetaminic acid

CMP-5,7-Di-N-acetyl-acinetaminic acid

C22H34N5O15P (639.1789)


   

Malvidin 3-(6-coumaroylglucoside)

Malvidin 3-(6-coumaroylglucoside)

C32H31O14+ (639.1714)


   

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

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

C32H31O14+ (639.1714)


   

Malvidin-3-O-(6-O-cis-p-coumaryl-beta-D-glucoside)

Malvidin-3-O-(6-O-cis-p-coumaryl-beta-D-glucoside)

C32H31O14+ (639.1714)


   

4-chloro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

4-chloro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

C30H33ClF3N3O5S (639.1781)


   

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

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

C32H31O14 (639.1714)


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

   

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

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

C32H31O14 (639.1714)


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

   

2-[(3-hydroxyquinolin-2-yl)formamido]-n-{[(1-{[1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl)(methyl)carbamoyl]methyl}-3-(methylsulfanyl)propanimidic acid

2-[(3-hydroxyquinolin-2-yl)formamido]-n-{[(1-{[1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl)(methyl)carbamoyl]methyl}-3-(methylsulfanyl)propanimidic acid

C27H37N5O7S3 (639.1855)


   

(2s)-2-[(3-hydroxyquinolin-2-yl)formamido]-n-({[(1r)-1-{[(2r)-1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl](methyl)carbamoyl}methyl)-3-(methylsulfanyl)propanimidic acid

(2s)-2-[(3-hydroxyquinolin-2-yl)formamido]-n-({[(1r)-1-{[(2r)-1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl](methyl)carbamoyl}methyl)-3-(methylsulfanyl)propanimidic acid

C27H37N5O7S3 (639.1855)


   

(2s)-2-[(3-hydroxyquinolin-2-yl)formamido]-n-({[(1r)-1-{[(2s)-1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl](methyl)carbamoyl}methyl)-3-(methylsulfanyl)propanimidic acid

(2s)-2-[(3-hydroxyquinolin-2-yl)formamido]-n-({[(1r)-1-{[(2s)-1-methoxy-3-(methylsulfanyl)-1-oxopropan-2-yl](methyl)carbamoyl}-2-(methylsulfanyl)ethyl](methyl)carbamoyl}methyl)-3-(methylsulfanyl)propanimidic acid

C27H37N5O7S3 (639.1855)