Exact Mass: 636.0963
Exact Mass Matches: 636.0963
Found 74 metabolites which its exact mass value is equals to given mass value 636.0963,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 dalton.
1,3,6-Trigalloyl_glucose
Gallotannin is a class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). It is functionally related to a gallic acid. 1,3,6-tri-O-galloyl-beta-D-glucose is a natural product found in Euphorbia lunulata with data available. 1,3,6-Tri-O-galloyl-beta-D-glucose (1,3,6-Tri-O-galloyl-β-D-glucose) is a phenolic compound in Black Walnut Kernels[1]. 1,3,6-Tri-O-galloyl-beta-D-glucose (1,3,6-Tri-O-galloyl-β-D-glucose) is a phenolic compound in Black Walnut Kernels[1].
1,2,6-Trigalloyl-beta-D-glucopyranose
Isolated from Rubus fruticosus (blackberry) and Rubus idaeus (raspberry). 1,2,6-Trigalloyl-beta-D-glucopyranose is found in many foods, some of which are fruits, pomegranate, garden rhubarb, and red raspberry. 1,2,6-Trigalloyl-beta-D-glucopyranose is found in fruits. 1,2,6-Trigalloyl-beta-D-glucopyranose is isolated from Rubus fruticosus (blackberry) and Rubus idaeus (raspberry).
1,3,4-Trigalloyl-beta-D-glucopyranose
1,3,4-Trigalloyl-beta-D-glucopyranose is found in fruits. 1,3,4-Trigalloyl-beta-D-glucopyranose is a constituent of the leaves of Punica granatum (pomegranate)
1,4,6-Trigalloyl-beta-D-glucopyranose
Tannin isolated from green tea. 1,4,6-Trigalloyl-beta-D-glucopyranose is found in tea and pomegranate. 1,4,6-Trigalloyl-beta-D-glucopyranose is found in pomegranate. Tannin isolated from green tea.
3-O-Galloylhamamelitannin
3-O-Galloylhamamelitannin is found in herbs and spices. 3-O-Galloylhamamelitannin is isolated from Castanea crenata (Japanese chestnut), Sanguisorba officinalis (burnet bloodwort). Isolated from Castanea crenata (Japanese chestnut), Sanguisorba officinalis (burnet bloodwort). 3-O-Galloylhamamelitannin is found in tea, herbs and spices, and nuts.
Kurigalin
Kurigalin is found in nuts. Kurigalin is a gallotannin isolated from the bark of Castanea crenata (Japanese chestnut). A gallotannin isolated from the bark of Castanea crenata (Japanese chestnut). Kurigalin is found in nuts.
1,2,4-Trigalloyl-beta-D-glucopyranose
1,2,4-Trigalloyl-beta-D-glucopyranose is found in fruits. 1,2,4-Trigalloyl-beta-D-glucopyranose is a constituent of the leaves of Punica granatum (pomegranate)
1,2',5-Tri-O-galloylhamamelofuranose
1,2,5-Tri-O-galloylhamamelofuranose is found in nuts. 1,2,5-Tri-O-galloylhamamelofuranose is isolated from the bark of Castanea crenata (Japanese chestnut). Isolated from the bark of Castanea crenata (Japanese chestnut). 1,2,5-Tri-O-galloylhamamelofuranose is found in nuts.
1,3,6-Tri-O-galloyl-beta-D-glucose
1,2,3-tri-O-Galloyl-beta-4C1-glucose
1,2,3-tri-o-galloyl-beta-4c1-glucose is a member of the class of compounds known as tannins. Tannins are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 1,2,3-tri-o-galloyl-beta-4c1-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1,2,3-tri-o-galloyl-beta-4c1-glucose can be found in pomegranate, which makes 1,2,3-tri-o-galloyl-beta-4c1-glucose a potential biomarker for the consumption of this food product.
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate
2,4,6-tri-O-galloyl-D-glucopyranose|2,4,6-tri-O-galloyl-D-glucose|D-Pyranose-2,4,6-Trigalloylglucose
3,4,6-tri-O-galloyl-beta-D-Glc|3,4,6-tri-O-galloyl-beta-D-glucopyranose|3,4,6-tri-O-galloyl-beta-D-glucose|3,4,6-tri-O-galloyl-D-glucopyranose|3,4,6-tri-O-galloyl-D-glucopyranoside|3,4,6-tri-O-galloyl-D-glucose|3,4,6-tri-O-galloylglucose|D-Pyranose-3,4,6-Trigalloylglucose
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate_major
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate_minor
1,3,4-Trigalloyl-beta-D-glucopyranose
1,2,4-Trigalloyl-beta-D-glucopyranose
1,4,6-Trigalloylglucose
1,2',5-Tri-O-galloylhamamelofuranose
3-O-Galloylhamamelitannin
1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranose
luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)]
3-[[(2R,3R,4S,5R,6S)-4-(2-carboxyacetyl)oxy-3,5-dihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
(3s,4s)-3,4-dihydroxy-3-(3,4,5-trihydroxybenzoyl)-1,5-bis(3,4,5-trihydroxyphenyl)-4-[(1r,2r)-1,2,3-trihydroxypropyl]pentane-1,2,5-trione
3,4-dihydroxy-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate
[2,4-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-5-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
(2r,3r,4r,5s,6r)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
(2s,3r,4r,5r)-3,4-dihydroxy-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate
1,2,3-tri-o-galloyl-d-glucose
{"Ingredient_id": "HBIN000627","Ingredient_name": "1,2,3-tri-o-galloyl-d-glucose","Alias": "1, 2, 3-tri-o-galloyl-d-glucose","Ingredient_formula": "C27H24O18","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O","Ingredient_weight": "636.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02535;SMIT02685","TCMID_id": "23444","TCMSP_id": "NA","TCM_ID_id": "9659","PubChem_id": "13270010","DrugBank_id": "NA"}
1, 4, 6-tri-o-galloyl-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001339","Ingredient_name": "1, 4, 6-tri-o-galloyl-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H24O18","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24041","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,6-trigalloylglucose; d-pyranose-form
{"Ingredient_id": "HBIN004245","Ingredient_name": "2,4,6-trigalloylglucose; d-pyranose-form","Alias": "NA","Ingredient_formula": "C27H24O18","Ingredient_Smile": "NA","Ingredient_weight": "636.47","OB_score": "NA","CAS_id": "108043-99-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8909","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,6-trigalloylglucose
{"Ingredient_id": "HBIN007314","Ingredient_name": "3,4,6-trigalloylglucose","Alias": "NA","Ingredient_formula": "C27H24O18","Ingredient_Smile": "NA","Ingredient_weight": "636.47","OB_score": "NA","CAS_id": "99523-99-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8304","PubChem_id": "NA","DrugBank_id": "NA"}
