Chemical Formula: C36H28O16

Chemical Formula C36H28O16

Found 34 metabolite its formula value is C36H28O16

Isoneotheaflavin 3-O-gallate

(3S)-5,7-Dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C36H28O16 (716.1377288)


Isoneotheaflavin 3-O-gallate is a polyphenol compound found in foods of plant origin (PMID: 20428313)

   

Isotheaflavin 3'-gallate

5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C36H28O16 (716.1377288)


Isotheaflavin 3-gallate is found in tea. Isotheaflavin 3-gallate is a constituent of black tea. Constituent of black tea. Isotheaflavin 3-gallate is found in tea.

   

Theaflavin-3-gallate

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


Theaflavin-3-gallate is a theaflavins (a black tea extract) complex. It is one of the major black tea polyphenols. Research results show that it may be responsible for the chemopreventive activity in black tea extracts (PMID: 11103814). Constituent of black tea and commercial oolong tea

   

Neotheaflavin 3-gallate

5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C36H28O16 (716.1377288)


Theaflavin 3-gallate is found in german camomile. Theaflavin 3-gallate is a constituent of black tea and commercial oolong tea.

   

Theaflavin monogallate

3,4-dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-6-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


Theaflavin monogallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theaflavin monogallate can be found in tea, which makes theaflavin monogallate a potential biomarker for the consumption of this food product.

   

Tragopogonic acid

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2S,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

Theaflavin-3-gallate

Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester

C36H28O16 (716.1377288)


[(2S,3S)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is a natural product found in Camellia and Camellia sinensis with data available. Theaflavin-3-gallate, a black tea theaflavin monomer, is regarded as the biologically important active component of black tea and provides health benefits. Theaflavin-3-gallate acts as prooxidants and induces oxidative stress in the carcinoma cells. Theaflavin-3-gallate reacts directly with reduced glutathione (GSH) in a time- and concentration-dependent manner[1].

   

Theaflavin-3-gallat

Theaflavin-3-gallat

C36H28O16 (716.1377288)


   

Theaflavin 3-O-gallate

Theaflavin 3-O-gallate

C36H28O16 (716.1377288)


   
   

theaflavin 3-O-gallate

theaflavin 3-O-gallate

C36H28O16 (716.1377288)


   

(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

C36H28O16 (716.1377288)


   

Theaflavin Monogallates

Theaflavin Monogallates

C36H28O16 (716.1377288)


   

(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based: Match]

NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based: Match]

C36H28O16 (716.1377288)


   

(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000845041]

NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000845041]

C36H28O16 (716.1377288)


   

Theaflavin Monogallates_major

Theaflavin Monogallates_major

C36H28O16 (716.1377288)


   

Theaflavin Monogallates_88.9\\%

Theaflavin Monogallates_88.9\\%

C36H28O16 (716.1377288)


   

Theaflavin Monogallates_47.1\\%

Theaflavin Monogallates_47.1\\%

C36H28O16 (716.1377288)


   

Theaflavin Monogallates_57.1\\%

Theaflavin Monogallates_57.1\\%

C36H28O16 (716.1377288)


   

Theaflavin Monogallates_82.9\\%

Theaflavin Monogallates_82.9\\%

C36H28O16 (716.1377288)


   

Theaflavin monogallate b

Epitheaflavin monogallate

C36H28O16 (716.1377288)


   

Isoneotheaflavin 3-O-gallate

(3S)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

Isotheaflavin 3'-gallate

5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

(R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid

(R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid

C36H28O16 (716.1377288)


   

Neotheaflavin 3-gallate

5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C36H28O16 (716.1377288)


Theaflavin 3-gallate is found in german camomile. Theaflavin 3-gallate is a constituent of black tea and commercial oolong tea. Constituent of black tea and commercial oolong tea. Theaflavin 3-gallate is found in tea, german camomile, and peppermint. Theaflavin-3-gallate, a black tea theaflavin monomer, is regarded as the biologically important active component of black tea and provides health benefits. Theaflavin-3-gallate acts as prooxidants and induces oxidative stress in the carcinoma cells. Theaflavin-3-gallate reacts directly with reduced glutathione (GSH) in a time- and concentration-dependent manner[1].

   

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate

[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

Theaflavin-3'-gallate

Theaflavin-3'-gallate

C36H28O16 (716.1377288)


Theaflavin-3'-gallate, a black tea theaflavin monomer, is regarded as the biologically important active component of black tea and provides health benefits. Theaflavin-3'-gallate acts as prooxidants and induces oxidative stress in the carcinoma cells. Theaflavin-3'-gallate reacts directly with reduced glutathione (GSH) in a time- and concentration-dependent manner[1].

   

(2r)-2-{[(2e)-3-(3-{[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl)prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid

(2r)-2-{[(2e)-3-(3-{[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl)prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid

C36H28O16 (716.1377288)


   

(2s,3s)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-1-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2s,3s)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-1-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

2-(3-hydroxy-2,4-dimethoxyphenyl)-5-methoxy-4,7-dioxo-1-benzofuran-3-carbaldehyde; 2-(3-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-4,7-dioxo-1-benzofuran-3-carbaldehyde

2-(3-hydroxy-2,4-dimethoxyphenyl)-5-methoxy-4,7-dioxo-1-benzofuran-3-carbaldehyde; 2-(3-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-4,7-dioxo-1-benzofuran-3-carbaldehyde

C36H28O16 (716.1377288)


   

(2r,3r)-5,7-dihydroxy-2-{1,2,8-trihydroxy-9-oxo-4-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-6-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2r,3r)-5,7-dihydroxy-2-{1,2,8-trihydroxy-9-oxo-4-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-6-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

(2r,3r)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-1-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

(2r,3r)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-1-yl}-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C36H28O16 (716.1377288)


   

2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid

2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid

C36H28O16 (716.1377288)