Exact Mass: 625.1186

Exact Mass Matches: 625.1186

Found 47 metabolites which its exact mass value is equals to given mass value 625.1186, 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+ (625.1405)


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

   

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+ (625.1557)


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

   

Afoxolaner

2-[(4-{5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl}naphthalen-1-yl)formamido]-N-(2,2,2-trifluoroethyl)ethanimidic acid

C26H17ClF9N3O3 (625.0815)


C254 - Anti-Infective Agent > C276 - Antiparasitic Agent Afoxolaner is an orally active isoxazoline insecticide/acaricide against Ixodes scapularis in dogs. Afoxolaner acts on the insect γ-aminobutyric acid receptor (GABA) and glutamate receptors, inhibiting GABA & glutamate-regulated uptake of chloride ions, resulting in excess neuronal stimulation and death of the arthropod[1][2].

   

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 (625.1557)


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+ (625.1557)


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.

   

Cyanidin 3-(2-glucuronosylglucoside)

Cyanidin 3-(2-glucuronosylglucoside)

C27H29O17 (625.1405)


   

Peonidin 3-(6-caffeylgucoside)

Peonidin 3-(6-caffeylgucoside)

C31H29O14 (625.1557)


   

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 (625.1557)


   

Malvidin 3-glucoside-4-vinylcatechol

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

C31H29O14 (625.1557)


   

Lamellarin D triacetate

Lamellarin D triacetate

C34H27NO11 (625.1584)


   

Lamellarin N triacetate

Lamellarin N triacetate

C34H27NO11 (625.1584)


   
   

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+ (625.1557)


   

Malvidin 3-glucoside-4-vinylcatechol

Malvidin 3-glucoside-4-vinylcatechol

C31H29O14+ (625.1557)


   

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 (625.1519)


   
   

SR 9243

N-(3-Bromophenethyl)-2,4,6-trimethyl-N-((3-(methylsulfonyl)-[1,1-biphenyl]-4-yl)methyl)benzenesulfonamide

C31H32BrNO4S2 (625.0956)


SR9243 is a liver-X-receptor (LXR) inverse agonist that induces LXR-corepressor interaction.

   

Milvexian

Milvexian

C28H23Cl2F2N9O2 (625.132)


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

   

Afoxolaner

Afoxolaner

C26H17ClF9N3O3 (625.0815)


C254 - Anti-Infective Agent > C276 - Antiparasitic Agent Afoxolaner is an orally active isoxazoline insecticide/acaricide against Ixodes scapularis in dogs. Afoxolaner acts on the insect γ-aminobutyric acid receptor (GABA) and glutamate receptors, inhibiting GABA & glutamate-regulated uptake of chloride ions, resulting in excess neuronal stimulation and death of the arthropod[1][2].

   

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- (625.1517)


   

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

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

C31H29O14+ (625.1557)


   

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 (625.1524)


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- (625.1405)


   

2-O-crotonyl-ADP-D-ribose

2-O-crotonyl-ADP-D-ribose

C19H25N5O15P2-2 (625.0822)


   

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- (625.1405)


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.

   

6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-S-[(1Z)-5-(methanesulfinyl)-N-sulfopent-4-enimidoyl]-1-thio-beta-D-glucopyranose

6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-S-[(1Z)-5-(methanesulfinyl)-N-sulfopent-4-enimidoyl]-1-thio-beta-D-glucopyranose

C23H31NO13S3 (625.0957)


   

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+ (625.1557)


   

Peonidin 3-(6-caffeylgucoside)

Peonidin 3-(6-caffeylgucoside)

C31H29O14+ (625.1557)


   

Cyanidin 3-(2-glucuronosylglucoside)

Cyanidin 3-(2-glucuronosylglucoside)

C27H29O17+ (625.1405)


   

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+ (625.1234)


   
   

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+ (625.1557)


   

GalNAc(b1-4)Gal3S(b1-4)b-Glc

GalNAc(b1-4)Gal3S(b1-4)b-Glc

C20H35NO19S (625.1524)


   

Gal(b1-4)GlcNAc6S(b1-6)a-Man

Gal(b1-4)GlcNAc6S(b1-6)a-Man

C20H35NO19S (625.1524)


   

GalNAc3S(b1-4)Gal(b1-4)b-Glc

GalNAc3S(b1-4)Gal(b1-4)b-Glc

C20H35NO19S (625.1524)


   

Gal(b1-4)GlcNAc6S(b1-6)Man

Gal(b1-4)GlcNAc6S(b1-6)Man

C20H35NO19S (625.1524)


   

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

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

C31H29O14 (625.1557)


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 (625.1557)


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

   

6-Sinapoylglucoraphenin

6-Sinapoylglucoraphenin

C23H31NO13S3 (625.0957)


A glucosinolic acid that is glucoraphenin in which the hydroxy hydrogen at position 6 on the glucose fragment has been replaced by a sinapoyl group.

   

Cyanidin 3-(2'-glucuronosylglucoside)

Cyanidin 3-(2'-glucuronosylglucoside)

C27H29O17 (625.1405)


   

Peonidin 3-(6'-caffeylgucoside)

Peonidin 3-(6'-caffeylgucoside)

C31H29O14 (625.1557)


   

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

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

C31H29O14 (625.1557)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1z)-5-methanesulfinyl-1-(sulfoimino)pent-4-en-1-yl]sulfanyl}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1z)-5-methanesulfinyl-1-(sulfoimino)pent-4-en-1-yl]sulfanyl}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H31NO13S3 (625.0957)


   

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 (625.1584)


   

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

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

[C27H29O17]+ (625.1405)


   

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 (625.1584)


   

[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

[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 (625.1254)