Exact Mass: 468.09846539999995

Exact Mass Matches: 468.09846539999995

Found 59 metabolites which its exact mass value is equals to given mass value 468.09846539999995, 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 (468.090387)


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 (468.090387)


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.

   

Apocynin A

14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-12-one

C24H20O10 (468.105642)


   

Epigallocatechin 3-caffeate

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C24H20O10 (468.105642)


Epigallocatechin 3-caffeate is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Thus, epigallocatechin 3-caffeate is considered to be a flavonoid lipid molecule. Epigallocatechin 3-caffeate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin 3-caffeate can be found in tea, which makes epigallocatechin 3-caffeate a potential biomarker for the consumption of this food product.

   
   

Apocynin A

(2R,3S,10S) -10- (3,4-Dihydroxyphenyl) -3,4,9,10-tetrahydro-3,5-dihydroxy-2- (3,4,5-trihydroxyphenyl) -2H,8H-benzo [ 1,2-b:3,4-b ] dipyran-8-one

C24H20O10 (468.105642)


   
   

Apocynin C

(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-8-one

C24H20O10 (468.105642)


   

Epigallocatechin 3-O-caffeate

(2R,3R) -3,5,7,3,4,5-Hexahydroxyflavan 3-O-caffeate

C24H20O10 (468.105642)


   
   
   

Gyrophoric acid

4-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoic acid

C24H20O10 (468.105642)


Origin: Microbe, Carboxylic acids

   

3,5-Di-O-galloyl protoquercitol

3,5-Di-O-galloyl protoquercitol

C20H20O13 (468.090387)


   
   
   

3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester

3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester

C24H20O10 (468.105642)


   

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 (468.090387)


   

1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid

1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid

C25H16N4O6 (468.1069796)


   

7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|daphjamilin

7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|daphjamilin

C24H20O10 (468.105642)


   

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 (468.090387)


   
   

2,3,4-triacetoxy-3,4,5,6-tetrahydroxy-p-terphenyl

2,3,4-triacetoxy-3,4,5,6-tetrahydroxy-p-terphenyl

C24H20O10 (468.105642)


   

Myricetin-3-L-arabinosid (-A)

Myricetin-3-L-arabinosid (-A)

C20H20O13 (468.090387)


   

(4S,8R,9S)-4-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4,9,10-tetrahydro-5,9-dihydroxy-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|sclerophynin A

(4S,8R,9S)-4-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4,9,10-tetrahydro-5,9-dihydroxy-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|sclerophynin A

C24H20O10 (468.105642)


   
   
   
   
   

Swerpunilactone A

Swerpunilactone A

C24H20O10 (468.105642)


   
   

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

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

C20H20O13 (468.090387)


   

(-)-epigallocatechin 3-O-caffeoate

(-)-epigallocatechin 3-O-caffeoate

C24H20O10 (468.105642)


   

izumiphenazine B

izumiphenazine B

C25H16N4O6 (468.1069796)


A natural product found in Streptomyces species.

   

[(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 (468.090387)


   

ginnalin A

ginnalin A

C20H20O13 (468.090387)


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

   

Cys Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Cys Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Cys Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Cys Asp Glu Cys

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Cys Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Cys Glu Asp Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Asp Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Asp Cys Glu Cys

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Asp Glu Cys Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Glu Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O9S2 (468.09846539999995)


   

Glu Cys Asp Cys

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Glu Asp Cys Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.09846539999995)


   

Castamollissin

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

C20H20O13 (468.090387)


   

Neocretanin

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

C20H20O13 (468.090387)


   
   

(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUMTRIFLATE

(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUMTRIFLATE

C23H23F3O3S2 (468.1040644)


   

N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid

N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid

C23H20N2O7S (468.09911700000004)


   
   

(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 (468.0903644)


   

(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

C22H20N4O4S2 (468.092592)


   

2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester

2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester

C22H20N4O4S2 (468.092592)


   

Izumiphenazine A, (rel)-

Izumiphenazine A, (rel)-

C25H16N4O6 (468.1069796)


A natural product found in Streptomyces species.

   

2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

C22H20N4O4S2 (468.092592)


   

Ulixertinib (hydrochloride)

Ulixertinib (hydrochloride)

C21H23Cl3N4O2 (468.0886508)


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].