Exact Mass: 468.0814

Exact Mass Matches: 468.0814

Found 54 metabolites which its exact mass value is equals to given mass value 468.0814, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Neocretanin

[6-(4-Formyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C20H20O13 (468.0904)


Neocretanin is found in nuts. Neocretanin is isolated from Japanese chestnut galls (Castanea crenata). Isolated from Japanese chestnut galls (Castanea crenata). Neocretanin is found in nuts.

   

Castamollissin

[6-(5-Formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C20H20O13 (468.0904)


Castamollissin is found in nuts. Castamollissin is isolated from the leaves of Castanea mollissima (Chinese chestnut). Isolated from the leaves of Castanea mollissima (Chinese chestnut). Castamollissin is found in nuts.

   
   

SCHEMBL14339419

SCHEMBL14339419

C20H20O13 (468.0904)


   

Pelargonidin-3-glucoside(callistephin)

Pelargonidin-3-glucoside(callistephin)

C21H21ClO10 (468.0823)


   

Peonidin-3-O-arabinoside

Peonidin-3-O-arabinoside

C21H21ClO10 (468.0823)


   

3,5-Di-O-galloyl protoquercitol

3,5-Di-O-galloyl protoquercitol

C20H20O13 (468.0904)


   

SCHEMBL15394739

SCHEMBL15394739

C20H20O13 (468.0904)


   

5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside

5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside

C20H20O13 (468.0904)


   

4,5-Di-O-galloyl (+)-protoquercitol|4,5-di-O-galloyl proto-quercitol|4,5-di-O-galloyl-proto-quercitol|4,5-di-O-galloylprotoquercitol

4,5-Di-O-galloyl (+)-protoquercitol|4,5-di-O-galloyl proto-quercitol|4,5-di-O-galloyl-proto-quercitol|4,5-di-O-galloylprotoquercitol

C20H20O13 (468.0904)


   

2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure

2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure

C23H20N2O5S2 (468.0814)


   

Myricetin-3-L-arabinosid (-A)

Myricetin-3-L-arabinosid (-A)

C20H20O13 (468.0904)


   

SCHEMBL4545335

SCHEMBL4545335

C20H20O13 (468.0904)


   

SCHEMBL15394730

SCHEMBL15394730

C20H20O13 (468.0904)


   

1,4-di-O-galloyl proto-quercitol

1,4-di-O-galloyl proto-quercitol

C20H20O13 (468.0904)


   

Pelargonidin 3-Galactoside

(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

C21H21ClO10 (468.0823)


Pelargonidin 3-galactoside is an anthocyanidin glycoside.

   

Callistephin

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride

C21H21ClO10 (468.0823)


Pelargonidin 3-O-beta-D-glucoside chloride is a member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart. It contains a pelargonidin 3-O-beta-D-glucoside. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].

   

[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00347845-02![(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

ginnalin A

ginnalin A

C20H20O13 (468.0904)


D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors

   

Castamollissin

[6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

Neocretanin

[6-(4-formyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   
   

Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1)

Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1)

C24H17N2NaO5S (468.0756)


   
   

Peonidin 3-arabinoside

Peonidin 3-arabinoside

C21H21ClO10 (468.0823)


   

Callistephin chloride

pelargonidin 3-glucoside

C21H21ClO10 (468.0823)


Pelargonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-galactoside can be found in a number of food items such as fruits, gooseberry, vaccinium (blueberry, cranberry, huckleberry), and black chokeberry, which makes pelargonidin 3-galactoside a potential biomarker for the consumption of these food products. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].

   

[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury

[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury

C13H16HgNO5 (468.0735)


   

4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H15F3N2O3S (468.0755)


   

3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H15F3N2O3S (468.0755)


   

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

C22H17FN4O5S (468.0904)


   

2-fluorobenzoyl-AMP

2-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

3-fluorobenzoyl-AMP

3-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

4-fluorobenzoyl-AMP

4-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

Ulixertinib (hydrochloride)

Ulixertinib (hydrochloride)

C21H23Cl3N4O2 (468.0887)


Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib hydrochloride inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].

   

2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid

2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid

C20H20O13 (468.0904)


   

2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate

(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

aceritannin

NA

C20H20O13 (468.0904)


{"Ingredient_id": "HBIN014374","Ingredient_name": "aceritannin","Alias": "NA","Ingredient_formula": "C20H20O13","Ingredient_Smile": "C1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "95","TCMSP_id": "NA","TCM_ID_id": "7238;24378","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,2r,3s,4s,5r)-2,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2r,3s,4s,5r)-2,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(2r,3r,4r,5s)-3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5s)-3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

8-hydroxy-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

8-hydroxy-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

C22H22Cl2O7 (468.0743)


   

2-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

2-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

C20H20O13 (468.0904)


   

(2r,3s,4r,5s)-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3s,4r,5s)-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(1r,2s,3r,4s,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2s,3r,4s,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(1s,2s,3r,5s,6s)-2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1s,2s,3r,5s,6s)-2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(1r,2s,3s,4r,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2s,3s,4r,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(3s,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

(3s,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

C22H22Cl2O7 (468.0743)


   

3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

[(2r,3s,4s,5r,6s)-6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)