Exact Mass: 564.1195058000001

Exact Mass Matches: 564.1195058000001

Found 37 metabolites which its exact mass value is equals to given mass value 564.1195058000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Theaflavin

InChI=1/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1

C29H24O12 (564.1268)


Theaflavin is a biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea. It has a role as an antioxidant, a chelator, a plant metabolite, a radiation protective agent and an antibacterial agent. It is a polyphenol and a biflavonoid. Theaflavine is a natural product found in Vicia faba, Camellia, and other organisms with data available. Theaflavin (TF) and its derivatives, known collectively as theaflavins, are antioxidant polyphenols that are formed from flavanols in tea leaves during the enzymatic oxidation (called fermentation by the tea trade) of tea leaves (Wikipedia). A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea. D064449 - Sequestering Agents > D002614 - Chelating Agents D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase. Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.

   

Isotheaflavin

3,4,5-trihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6H-benzo[7]annulen-6-one

C29H24O12 (564.1268)


Present in black tea. Isotheaflavin is found in tea. Isotheaflavin is found in tea (e.g. black tea). Isotheaflavin is a catechin.

   

Isoneotheaflavin

3,4,6-trihydroxy-1,8-bis[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one

C29H24O12 (564.1268)


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

   

Isorhamnetin 3-(6'-malonylglucoside)

3-[(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C25H24O15 (564.1115)


Isorhamnetin 3-(6-malonylglucoside) is found in pear. Isorhamnetin 3-(6-malonylglucoside) is isolated from Pyrus communis (pear). Isolated from Pyrus communis (pear). Isorhamnetin 3-(6-malonylglucoside) is found in pomes and pear.

   

Neotheaflavin

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

C29H24O12 (564.1268)


   

Kaempferol 3-(2-(E)-p-coumaroyl-alpha-L-arabinofuranoside)

5,7-Dihydroxy-2- (4-hydroxyphenyl) -3- [ [ 2-O- [ (2E) -3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -alpha-L-arabinofuranosyl ] oxy ] -4H-1-benzopyran-4-one

C29H24O12 (564.1268)


   

Kaempferol 3-(2-p-coumaryl-alpha-L-arabinopyranoside)

Kaempferol 3-(2-p-coumaryl-alpha-L-arabinopyranoside)

C29H24O12 (564.1268)


   

Larycitrin 3-(4-malonylrhamnoside)

Myricetin 3 methyl ether 3-(4-malonylrhamnoside)

C25H24O15 (564.1115)


   

Isorhamnetin 3-(6-malonylglucoside)

3,4,5,7-Tetrahydroxy-3-methoxyflavone 3- (6"-malonylglucoside)

C25H24O15 (564.1115)


   

Kaempferol 3- (2'-p-coumaryl-alpha-L-arabinopyranoside)

3,5,7,4-Tetrahydroxyflavone 3- (2"-p-coumaryl-alpha-L-arabinopyranoside)

C29H24O12 (564.1268)


   

mearnsetin 3-O-(4-O-malonyl)-alpha-L-rhamnopyranoside|Mearnsetin 3-O-(4-O-malonyl)-??-L-rhamnopyranoside

mearnsetin 3-O-(4-O-malonyl)-alpha-L-rhamnopyranoside|Mearnsetin 3-O-(4-O-malonyl)-??-L-rhamnopyranoside

C25H24O15 (564.1115)


   

7-O-(E)-p-coumaroylkaempferol-4-O-alpha-L-arabinopyranoside|abutilin B

7-O-(E)-p-coumaroylkaempferol-4-O-alpha-L-arabinopyranoside|abutilin B

C29H24O12 (564.1268)


   

Theaflavin

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

C29H24O12 (564.1268)


Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase. Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.

   

67214-05-5

67214-05-5

C29H24O12 (564.1268)


   

5,6,7-trihydroxy-2-[4-({5-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-arabinofuranosyl}oxy)phenyl]-4H-1-benzopyran-4-one|scutellarein-4-O-alpha-L-[5-O-(E)-p-coumaroyl]arabinofuranoside

5,6,7-trihydroxy-2-[4-({5-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-arabinofuranosyl}oxy)phenyl]-4H-1-benzopyran-4-one|scutellarein-4-O-alpha-L-[5-O-(E)-p-coumaroyl]arabinofuranoside

C29H24O12 (564.1268)


   

Cyanidin 3-(6-malylglucoside)

Cyanidin 3-(6-malylglucoside)

C25H24O15 (564.1115)


   

Petunidin 3-(6-malonylglucoside)

Petunidin 3-(6-malonylglucoside)

C25H24O15 (564.1115)


   

Selgin O-malonylhexoside

Selgin O-malonylhexoside

C25H24O15 (564.1115)


   

Neotheaflavin

3,4,5-Trihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one

C29H24O12 (564.1268)


   

Theaflavin_major

Theaflavin_major

C29H24O12 (564.1268)


   

Theaflavin_minor

Theaflavin_minor

C29H24O12 (564.1268)


   

cyanidin-3-O-(6-O-p-coumaryl)-pentoside

cyanidin-3-O-(6-O-p-coumaryl)-pentoside

C29H24O12 (564.1268)


   

Isoneotheaflavin

3,4,6-trihydroxy-1,8-bis[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one

C29H24O12 (564.1268)


   

BIS(4-TERT-BUTYLPHENL)IODONIUM P-

BIS(4-TERT-BUTYLPHENL)IODONIUM P-

C27H33IO3S (564.1195)


   

Isoneotheaflavin

3,4,6-trihydroxy-1,8-bis[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one

C29H24O12 (564.1268)


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

   

(2R)-4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-hydroxy-4-oxobutanoic acid

(2R)-4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-hydroxy-4-oxobutanoic acid

C25H24O15 (564.1115)


   

1-[(2S,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

1-[(2S,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

C29H24O12 (564.1268)


   

1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

C29H24O12 (564.1268)


   

3,4,5-trihydroxy-1,8-bis[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one

3,4,5-trihydroxy-1,8-bis[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one

C29H24O12 (564.1268)


   

[(4s)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl]methyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

[(4s)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl]methyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

C29H24O12 (564.1268)


   

3-{[(2s,3r,4s,5s,6s)-6-{[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid

3-{[(2s,3r,4s,5s,6s)-6-{[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid

C25H24O15 (564.1115)


   

3-{[(2s,3r,4s,5r,6s)-6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid

3-{[(2s,3r,4s,5r,6s)-6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid

C25H24O15 (564.1115)


   

[(2s,3r,4r,5s)-3,4-dihydroxy-5-[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxolan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

[(2s,3r,4r,5s)-3,4-dihydroxy-5-[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxolan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C29H24O12 (564.1268)


   

3-[(6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-3-oxopropanoic acid

3-[(6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-3-oxopropanoic acid

C25H24O15 (564.1115)


   

{3,4-dihydroxy-5-[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxolan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

{3,4-dihydroxy-5-[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxolan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate

C29H24O12 (564.1268)


   

(3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl)methyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

(3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl)methyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

C29H24O12 (564.1268)


   

3,4,6-trihydroxy-1-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-5-one

3,4,6-trihydroxy-1-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-5-one

C29H24O12 (564.1268)