Exact Mass: 636.057374
Exact Mass Matches: 636.057374
Found 99 metabolites which its exact mass value is equals to given mass value 636.057374
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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).
Lonafarnib
C27H31Br2ClN4O2 (636.0502135999999)
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C471 - Enzyme Inhibitor > C2020 - Farnesyl Transferase Inhibitor D004791 - Enzyme Inhibitors Lonafarnib (Sch66336) is a potent and orally active farnesyl transferase (FTase) inhibitor. Lonafarnib inhibits the activities of H-ras, K-ras and N-ras with IC50 values of 1.9 nM, 5.2 nM and 2.8 nM, respectively. Lonafarnib also has anti-hepatitis delta virus (HDV) activities.
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.
Lonafarnib
C27H31Br2ClN4O2 (636.0502135999999)
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C471 - Enzyme Inhibitor > C2020 - Farnesyl Transferase Inhibitor D004791 - Enzyme Inhibitors Lonafarnib (Sch66336) is a potent and orally active farnesyl transferase (FTase) inhibitor. Lonafarnib inhibits the activities of H-ras, K-ras and N-ras with IC50 values of 1.9 nM, 5.2 nM and 2.8 nM, respectively. Lonafarnib also has anti-hepatitis delta virus (HDV) activities.
Isoscutellarein 4-methyl ether 8-(2,4-disulfatoglucuronide)
C22H20O18S2 (636.0091060000001)
[(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
(+)-morelloflavone-7-sulfate|morrelloflavone-7-sulfate
7-[4-(3,5-Dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3-(2,4,6-trihydroxyphenoxy)dibenzo[b,e][1,4]dioxin-1,2,6,8-tetraol
Kurigalin
[(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
Shyobunyl acetate
6-geranylnaringenin is a member of the class of compounds known as 6-prenylated flavanones. 6-prenylated flavanones are flavanones that features a C5-isoprenoid substituent at the 6-position. 6-geranylnaringenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-geranylnaringenin can be found in beer, which makes 6-geranylnaringenin a potential biomarker for the consumption of this food product. Constituent of the seeds of Cassia tora (charota). Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] is found in coffee and coffee products, herbs and spices, and pulses. Constituent of the seeds of Cassia tora (charota). Norrubrofusarin 6-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor Constituent of Galbanum absolute. Shyobunyl acetate is found in herbs and spices. C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Sorafenib Tosylate (Bay 43-9006 Tosylate) is a potent and orally active Raf inhibitor with IC50s of 6 nM and 20 nM for Raf-1 and B-Raf, respectively. SorafenibTosylate is a multikinase inhibitor with IC50s of 90 nM, 15 nM, 20 nM, 57 nM and 58 nM for VEGFR2, VEGFR3, PDGFRβ, FLT3 and c-Kit, respectively. Sorafenib Tosylate induces autophagy and apoptosis. Sorafenib Tosylate has anti-tumor activity. Sorafenib Tosylate is a ferroptosis activator[1].
[Pd(1,3-bis(diphenylphosphino)propane)(OAc)2]
C31H32O4P2Pd (636.0810481999999)
S-4-oxide-4-hydroxy-2,6-bis[4-(trifluoroMethyl)phenyl]-Dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
R-4-oxide-4-hydroxy-2,6-bis[4-(trifluoroMethyl)phenyl]-Dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
4-[[3,5-Difluoro-4-[(1,1,2,3,3-pentafluoro-2-propen-1-yl)oxy]phenoxy]difluoromethyl]-4-ethyl-2,3,5-trifluoro-1,1:4,1-terphenyl
C30H16F12O2 (636.0958619999999)
4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-YL)piperidin-1-YL]-2-oxoethyl}piperidine-1-carboxamide
C27H31Br2ClN4O2 (636.0502135999999)
Phenylmercuric borate [who-DD]
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
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
Sorafenib Tosylate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Sorafenib Tosylate (Bay 43-9006 Tosylate) is a potent and orally active Raf inhibitor with IC50s of 6 nM and 20 nM for Raf-1 and B-Raf, respectively. SorafenibTosylate is a multikinase inhibitor with IC50s of 90 nM, 15 nM, 20 nM, 57 nM and 58 nM for VEGFR2, VEGFR3, PDGFRβ, FLT3 and c-Kit, respectively. Sorafenib Tosylate induces autophagy and apoptosis. Sorafenib Tosylate has anti-tumor activity. Sorafenib Tosylate is a ferroptosis activator[1].
(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"}
2,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4-hydroxy-3,5-bis(sulfooxy)oxane-2-carboxylic acid
C22H20O18S2 (636.0091060000001)
(2r,3r,4s,5s,6r)-6-{[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]methyl}-2,4,5-trihydroxyoxan-3-yl 3,4,5-trihydroxybenzoate
6-{[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]methyl}-2,4,5-trihydroxyoxan-3-yl 3,4,5-trihydroxybenzoate
4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
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,6r)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
(2s,3r,4r,5s,6r)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
2,3-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate
4-hydroxy-2-(hydroxymethyl)-5,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
6-hydroxy-2-(hydroxymethyl)-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
3-hydroxy-2-(hydroxymethyl)-5,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate
7'-bromo-2'-(6-bromo-1h-indol-3-yl)-5-hydroxy-2,2''-diimino-1'',3''-dimethyl-4',9'-dihydro-2'h,3h-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-5''-one
C26H22Br2N8O2 (636.0232351999999)
3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
(2s,3r,4s,5s,6r)-2,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
(2r,3r,4r,5r,6s)-5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
(2s,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
(2r,3s,4r,5s,6s)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate
(2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4-hydroxy-3,5-bis(sulfooxy)oxane-2-carboxylic acid
C22H20O18S2 (636.0091060000001)
(1's,2'r,4r)-7'-bromo-2'-(6-bromo-1h-indol-3-yl)-5-hydroxy-2,2''-diimino-1'',3''-dimethyl-4',9'-dihydro-2'h,3h-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-5''-one
C26H22Br2N8O2 (636.0232351999999)
(1'r,2's,4s)-7'-bromo-2'-(6-bromo-1h-indol-3-yl)-5-hydroxy-2,2''-diimino-1'',3''-dimethyl-4',9'-dihydro-2'h,3h-dispiro[imidazole-4,3'-carbazole-1',4''-imidazolidin]-5''-one
C26H22Br2N8O2 (636.0232351999999)