Exact Mass: 898.1956

Exact Mass Matches: 898.1956

Found 38 metabolites which its exact mass value is equals to given mass value 898.1956, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

[Gallocatechin(4alpha->8)]2catechin

4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


[Gallocatechin(4alpha->8)]2catechin is found in barley. [Gallocatechin(4alpha->8)]2catechin is isolated from barley grains Hordeum vulgare. Isolated from barley grains Hordeum vulgare. [Gallocatechin(4alpha->8)]2-catechin is found in barley and cereals and cereal products.

   

Epigallocatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate

(2R,3R)-6-[(2R,3R,4S)-5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C44H34O21 (898.1593)


Epigallocatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate is found in tea. Tannin constituent of oolong tea Camellia sinensis var. viridis. Tannin constituent of oolong tea Camellia sinensis variety viridis. Epigallocatechin-(4beta->6)-epicatechin 3,3-digallate is found in tea.

   

Theasinensin F

(2R,3R)-2-{6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3,4,4,5-pentahydroxy-[1,1-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C44H34O21 (898.1593)


Theasinensin G is found in tea. Theasinensin G is from oolong tea Camellia sinensis var. viridis. From oolong tea Camellia sinensis variety viridis. Theasinensin F is found in tea.

   

Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate

(2R,3R)-6-[(2R,3R,4S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C44H34O21 (898.1593)


Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate is found in tea. Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate is isolated from oolong tea Camellia sinensis var. viridis. Isolated from oolong tea Camellia sinensis variety viridis. Epicatechin-(4beta->6)-epigallocatechin 3,3-digallate is found in tea.

   

Epicatechin 3-O-gallate-(4beta->8)-epigallocatechin 3-O-gallate

(2R,3R)-8-[(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C44H34O21 (898.1593)


Epicatechin 3-O-gallate-(4beta->8)-epigallocatechin 3-O-gallate is found in tea. Epicatechin 3-O-gallate-(4beta->8)-epigallocatechin 3-O-gallate is isolated from commercial oolong tea (Camellia sinensis var. viridis). Isolated from commercial oolong tea (Camellia sinensis variety viridis). Epicatechin-(4beta->8)-epigallocatechin 3,3-digallate is found in tea.

   

Prodelphinidin trimer GC-C-C

(2R,3S,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


Prodelphinidin trimer gc-c-c is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Prodelphinidin trimer gc-c-c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Prodelphinidin trimer gc-c-c can be found in beer, which makes prodelphinidin trimer gc-c-c a potential biomarker for the consumption of this food product.

   

Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin

(2R,4R)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin can be found in blackcurrant, which makes catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin a potential biomarker for the consumption of this food product.

   

Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate

(2R,3R)-8-[(2R,3R,4R)-5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C44H34O21 (898.1593)


Epigallocatechin-(4beta->8)-epicatechin 3,3-digallate is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Epigallocatechin-(4beta->8)-epicatechin 3,3-digallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin-(4beta->8)-epicatechin 3,3-digallate can be found in tea, which makes epigallocatechin-(4beta->8)-epicatechin 3,3-digallate a potential biomarker for the consumption of this food product.

   

8)-epicatechin-3-O-gallate

3-O-Galloylepigallocatechin-(4beta-

C44H34O21 (898.1593)


   

8)-gallocatechin

8)-gallocatechin-(4alpha-

C45H38O20 (898.1956)


   

3-O-Galloylepigallocatechin-(4beta->8)-epicatechin-3-O-gallate

3-O-Galloylepigallocatechin-(4beta->8)-epicatechin-3-O-gallate

C44H34O21 (898.1593)


   

Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin

Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin

C45H38O20 (898.1956)


   

5-Hydroxy,3,5-bis(3,4,5-trihydroxybenzoyl)-(2R,2R,3R,3R,4R)-3,3,4,5,7-Pentahydroxyflavan(4?6)-3,3,4,5,6-pentahydroxyflavan

5-Hydroxy,3,5-bis(3,4,5-trihydroxybenzoyl)-(2R,2R,3R,3R,4R)-3,3,4,5,7-Pentahydroxyflavan(4?6)-3,3,4,5,6-pentahydroxyflavan

C44H34O21 (898.1593)


   

SCHEMBL22738415

SCHEMBL22738415

C30H42O31 (898.171)


   
   

[Gallocatechin-(4alpha->8)]2-catechin

[Gallocatechin-(4alpha->8)]2-catechin

C45H38O20 (898.1956)


CASMI2013 Challenge_8 MS2 data

   

[Gallocatechin(4alpha->8)]2catechin

4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


   

Theasinensin F

2-[2-(6-{5,7-dihydroxy-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-2-yl}-2,3,4-trihydroxyphenyl)-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

Epicatechin 3-O-gallate (4b->6)epigallocatechin 3-O-gallate

4-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

Epicatechin 3-O-gallate(4b->8)epigallocatechin-3-O-gallate

8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

Epigallocatechin 3-O-gallate(4b->6)-epicatechin 3-O-gallate

6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

(R)-RU(OAC)2(T-BINAP)

(R)-RU(OAC)2(T-BINAP)

C52H46O4P2Ru (898.1915)


   

Praseodymium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO3,kO5)-

Praseodymium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO3,kO5)-

C31H31F21O6 (898.1785)


   

(S)-Ru(OAc)2(T-BINAP)

(S)-Ru(OAc)2(T-BINAP)

C52H46O4P2Ru (898.1915)


   

Prodelphinidin trimer GC-C-C

(2R,3S,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


Prodelphinidin trimer gc-c-c is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Prodelphinidin trimer gc-c-c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Prodelphinidin trimer gc-c-c can be found in beer, which makes prodelphinidin trimer gc-c-c a potential biomarker for the consumption of this food product.

   

alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo

alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo

C32H50O29 (898.2438)


   

Kdo(2->8)[Kdo(2->4)]Kdo(2->4)Kdo

Kdo(2->8)[Kdo(2->4)]Kdo(2->4)Kdo

C32H50O29 (898.2438)


   

(4s)-5-Fluoro-L-Leucine-CoA; (Acyl-CoA); [M+H]+

(4s)-5-Fluoro-L-Leucine-CoA; (Acyl-CoA); [M+H]+

C27H46FN8O17P3S (898.1898)


   

L-alanosine-CoA; (Acyl-CoA); [M+H]+

L-alanosine-CoA; (Acyl-CoA); [M+H]+

C24H41N10O19P3S (898.1483)


   

Penicillamine-CoA; (Acyl-CoA); [M+H]+

Penicillamine-CoA; (Acyl-CoA); [M+H]+

C26H45N8O17P3S2 (898.1557)


   

L-Methionine-CoA; (Acyl-CoA); [M+H]+

L-Methionine-CoA; (Acyl-CoA); [M+H]+

C26H45N8O17P3S2 (898.1557)


   

Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate

Epicatechin 3-O-gallate-(4beta->6)-epigallocatechin 3-O-gallate

C44H34O21 (898.1593)


   

4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)


   

(2r,3s,4r)-8-[(2r,3s,4s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-4-[(2r,3s)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s,4r)-8-[(2r,3s,4s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-4-[(2r,3s)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


   

8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C45H38O20 (898.1956)


   

(2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C44H34O21 (898.1593)