Exact Mass: 952.246241

Exact Mass Matches: 952.246241

Found 23 metabolites which its exact mass value is equals to given mass value 952.246241, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Quercetin 3-coumaroyl-triglucoside

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C42H48O25 (952.2484558)


Quercetin 3-coumaroyl-triglucoside can be found in common pea, which makes quercetin 3-coumaroyl-triglucoside a potential biomarker for the consumption of this food product.

   
   
   
   

Quercetin 3-coumaroyl-triglucoside

Quercetin 3-coumaroyl-triglucoside

C42H48O25 (952.2484558)


   

(4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1-benzofuran-2-yl}phenyl)oxidanesulfonic acid

(4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1-benzofuran-2-yl}phenyl)oxidanesulfonic acid

C56H40O13S (952.2189510000001)


   

GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)GlcNAc(b1-4)GlcA

GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)GlcNAc(b1-4)GlcA

C34H52N2O29 (952.2655622)


   

PubChem CID: 24762925; (Acyl-CoA); [M+H]+

PubChem CID: 24762925; (Acyl-CoA); [M+H]+

C30H55N10O17P3S (952.268009)


   

PubChem CID: 24763002; (Acyl-CoA); [M+H]+

PubChem CID: 24763002; (Acyl-CoA); [M+H]+

C30H55N10O17P3S (952.268009)


   
   

Ac-WEHD-AFC (TFA)

Ac-WEHD-AFC (TFA)

C40H38F6N8O13 (952.246241)


Ac-WEHD-AFC TFA is a fluorogenic caspase-1 substrate. Ac-WEHD-AFC TFA can measure caspase-1 fluorogenic activity and can be used for the research of tumor and inflammation[1].

   

(1'r,2s,2's,4s,5r,6'r,7's,9's,10'r,12's)-10'-{[(2s,3s,4s,5s,6r)-3-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

(1'r,2s,2's,4s,5r,6'r,7's,9's,10'r,12's)-10'-{[(2s,3s,4s,5s,6r)-3-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

C40H56O24S (952.2882096000001)


   

2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-5-(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl)-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-5-(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl)-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

C48H40O21 (952.206199)


   

(1's,2s,2's,4s,5r,6'r,7's,9'r,10'r,12'r)-10'-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

(1's,2s,2's,4s,5r,6'r,7's,9'r,10'r,12'r)-10'-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

C40H56O24S (952.2882096000001)


   

10'-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

10'-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

C40H56O24S (952.2882096000001)


   

(5's,6'r,7's,8'r)-2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-7-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

(5's,6'r,7's,8'r)-2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-7-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

C48H40O21 (952.206199)


   

2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-7-(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl)-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-7-(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl)-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

C48H40O21 (952.206199)


   

(1's,2s,2's,4s,5r,6'r,7's,9'r,10'r)-10'-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

(1's,2s,2's,4s,5r,6'r,7's,9'r,10'r)-10'-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

C40H56O24S (952.2882096000001)


   

(1'r,2r,2'r,4r,5r,6'r,7'r,9'r,10'r,12's)-10'-{[(2r,3s,4r,5r,6s)-3-{[(2r,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

(1'r,2r,2'r,4r,5r,6'r,7'r,9'r,10'r,12's)-10'-{[(2r,3s,4r,5r,6s)-3-{[(2r,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate

C40H56O24S (952.2882096000001)


   

(5's,6'r,7's,8'r)-2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-5-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

(5's,6'r,7's,8'r)-2,4',5',6',7',8,8'-heptahydroxy-2',6-dimethoxy-3,7'-dimethyl-5-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]-6',8'-dihydro-5'h-[1,1'-bianthracene]-9,9',10,10'-tetrone

C48H40O21 (952.206199)