Exact Mass: 716.1868896
Exact Mass Matches: 716.1868896
Found 80 metabolites which its exact mass value is equals to given mass value 716.1868896,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isoneotheaflavin 3-O-gallate
Isoneotheaflavin 3-O-gallate is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Isotheaflavin 3'-gallate
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
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
Theaflavin 3-gallate is found in german camomile. Theaflavin 3-gallate is a constituent of black tea and commercial oolong tea.
Theaflavin monogallate
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
Theaflavin-3-gallate
[(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].
(+)-catechin 7-O-beta-D-xylopyranoside hepta-acetate
6-O-alpha-L-(3-O-,4-O-dibenzoyl)rhamnopyranosylcatalpol|6-O-??-L-(3-O-,4-O-Dibenzoyl)rhamnopyranosylcatalpol|gmelinoside K
1-O-,5-O-dicaffeoyl-3-O-,4-O-disuccinylquinic acid
1,6-bis(1-hydroxy-4-oxo-2,5-cyclohexadiene-1-acetyl)-2,3-bis(benzeneacetyl)-beta-glucopyranoside|jacaglabroside A
Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
6-O-??-L-(2-O-,3-O-Dibenzoyl)rhamnopyranosylcatalpol
6-O-??-L-(2-O-,4-O-Dibenzoyl)rhamnopyranosylcatalpol
epicatechin-(4beta->8)-epigallocatechin-(4beta->S)benzylthioether
(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
(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]
(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]
Isoneotheaflavin 3-O-gallate
Isotheaflavin 3'-gallate
4,4-BIS(5-(HEXYLTHIO)-[2,2-BITHIOPHEN]-5-YL)-2,2-BIPYRIDINE
C38H40N2S6 (716.1515640000001)
tetramethyl 2,2-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate
(1Z,5Z)-cycloocta-1,5-diene,cyclopentyl-di(propan-2-yl)phosphane,iron,rhodium,tetrafluoroborate
C30H48BF4FeP2Rh (716.1664665999999)
2,2-[(3,3-dichloro[1,1-biphenyl]-4,4-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-3-oxobutyramide]
Bis(2-(3,5-dimethylphenyl)quinoline-C2,N)(acetylacetonato)iridium(III)
(-)-2,3-Bis((2S,5S)-2,5-diethylphospholano)benzo[b]thiophene(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate
7-[(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
p-Acetoacetophenetidide, 2,2-((2,2-dichloro-4,4-biphenylylene)bis(azo))bis-
(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
Neotheaflavin 3-gallate
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-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
alpha-L-arabinosyl-(1->2)-beta-D-galactosyl-(1->3)-6-O-phosphono-beta-D-galactosyl-(1->4)-alpha-D-mannose
Theaflavin-3'-gallate
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].
5-(benzoyloxy)-4-hydroxy-2-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-3-yl benzoate
(2s,3r,4r,5r,6s)-5-(benzoyloxy)-4-hydroxy-2-{[(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyloxan-3-yl benzoate
methyl (2s)-2-hydroxy-2-[(1r,3r,4r,5r,10s,12r,14r,15r,16s,18s,19r,20s,22r)-3,15,22-tris(acetyloxy)-5-(furan-3-yl)-16-hydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-19-yl]acetate
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
3,4-bis[(3-carboxypropanoyl)oxy]-1,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid
6-o-α-l-(2''-o-,3''-o-dibenzoyl)rhamnopyranos-ylcatalpol
{"Ingredient_id": "HBIN012624","Ingredient_name": "6-o-\u03b1-l-(2''-o-,3''-o-dibenzoyl)rhamnopyranos-ylcatalpol","Alias": "NA","Ingredient_formula": "C35H40O16","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5387","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-α-l-(2''-o-,4''-o-dibenzoyl)rhamnopyranos-ylcatalpol
{"Ingredient_id": "HBIN012625","Ingredient_name": "6-o-\u03b1-l-(2''-o-,4''-o-dibenzoyl)rhamnopyranos-ylcatalpol","Alias": "NA","Ingredient_formula": "C35H40O16","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=CC=C6)O)OC(=O)C7=CC=CC=C7","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5388","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-α-l-(3''-o-,4''-o-dibenzoyl)rhamnopyranos-ylcatalpol
{"Ingredient_id": "HBIN012628","Ingredient_name": "6-o-\u03b1-l-(3''-o-,4''-o-dibenzoyl)rhamnopyranos-ylcatalpol","Alias": "NA","Ingredient_formula": "C35H40O16","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5389","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}