Exact Mass: 636.1202454
Exact Mass Matches: 636.1202454
Found 202 metabolites which its exact mass value is equals to given mass value 636.1202454,
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).
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.
Kaempferol 3-(6'-acetylgalactoside) 7-rhamnoside
Kaempferol 3-(6-acetylgalactoside) 7-rhamnoside is found in broad bean. Kaempferol 3-(6-acetylgalactoside) 7-rhamnoside is isolated from Vicia faba. Isolated from Vicia faba. Kaempferol 3-(6-acetylgalactoside) 7-rhamnoside is found in pulses and broad bean.
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.
Quercetin 3-(4'-acetylrhamnoside) 7-rhamnoside
Quercetin 3-(4-acetylrhamnoside) 7-rhamnoside is found in fruits. Quercetin 3-(4-acetylrhamnoside) 7-rhamnoside is isolated from Mespilus germanica (European medlar). Isolated from Mespilus germanica (European medlar). Quercetin 3-(4-acetylrhamnoside) 7-rhamnoside is found in medlar and fruits.
1,3,6-Tri-O-galloyl-beta-D-glucose
CpG dinucleotides
Kaempferol 3-O-(6'-acetyl-galactoside) 7-O-rhamnoside
Kaempferol 3-o-(6-acetyl-galactoside) 7-o-rhamnoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 3-o-(6-acetyl-galactoside) 7-o-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-(6-acetyl-galactoside) 7-o-rhamnoside can be found in broad bean, which makes kaempferol 3-o-(6-acetyl-galactoside) 7-o-rhamnoside a potential biomarker for the consumption of this food product.
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.
Multiflorin A
Multiflorin a is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Multiflorin a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Multiflorin a can be found in peach, which makes multiflorin a a potential biomarker for the consumption of this food product.
Kaempferol 3-(4-acetyl-6-p-coumarylglucoside)
Diosmetin 7-Apiosyl-(1-
Rhamnazin 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]
Dentatiflavonoid
8-C-beta-D-Xylopyranosylchrysoeriol 4-O-acetyl 2-O-glucoside
Kaempferol 3-(3-acetyl-6-p-coumaroylglucoside)
Kaempferol 3-(6-acetylglucoside)-7-rhamnoside
Kaempferol 3-(6-acetylgalactoside)-7-rhamnoside
EP_M637
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 2206
9-methoxy-7-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate
7-O-[2-O-(5-O-vanilloyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-6-methoxycoumarin|eryciboside E
kaempferol 3-O-[(2-O-acetyl-beta-D-glucopyranosyl)-(1->4)-alpha-L-rhamnopyranoside]|palmatoside C
7-O-[6-O-(5-O-vanilloyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-6-methoxycoumarin|eryciboside D
2,4,6-tri-O-galloyl-D-glucopyranose|2,4,6-tri-O-galloyl-D-glucose|D-Pyranose-2,4,6-Trigalloylglucose
dalpatein 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
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
kaempferol-3-O-alpha-L-rhamnopyranosyl-(1?2)-[3-O-acetyl]-beta-D-glucopyranoside
kaempferol 3-O-(6-O-acetyl-3-beta-D-glucopyranosyl)-alpha-L-rhamnopyranoside|multiflorin C
Viscumneoside IV
A viscumneoside that is rhamnacine (3,7-dimethylquercetin) in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucoside and in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by formal condensatio with the pro-R carboxy group of 3-hydroxy-3-methylglutaric acid.
kaempferol 3-O-beta-D-(2-O-acetyl)glucopyranosyl-7-O-alpha-L-rhamnopyranoside|Sinocrassoside A13
pectolinaringenin 7-O-alpha-L-rhamnopyranosyl-(1?2)-O-beta-D-glucuronopyranoside
5,4-dimethoxy-6,7-methylenedioxy-flavone-3-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|Periginatorine
6-O-(4-Hydroxycinnamoyl),mono-Ac-3-O-beta-D-Glucopyranosyloxy-4鈥樎?5,7-trihydroxyflavone
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
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one
[(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]
3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000846561]
3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one [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
Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside
1,2',5-Tri-O-galloylhamamelofuranose
3-O-Galloylhamamelitannin
Isoflupredone
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].
Fortaz
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
[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)
L-Alaninamide, glycyl-N-(2-mercaptoethyl)-, 2,2-disulfide bis(trifluoroacetate)
L-gamma-glutamyl-S-[(1R,2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteinylglycine
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
dalpatein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
(3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]pentanoic acid
(3S,5S,6R)-6-[(2S,3S,5S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3-(1,3-Benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one
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
methyl (2r)-8-{3-[3,6-dihydroxy-2-(methoxycarbonyl)-4-methylbenzoyl]-2,4-dihydroxyphenyl}-5-hydroxy-2-[(2s,3r)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3h-1-benzopyran-2-carboxylate
(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
[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(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
[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl]oxy}oxan-2-yl]methyl acetate
3,4-dihydroxy-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate
[3-(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
9-methoxy-7-(4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-methoxy-6-(4-methoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
[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
9-methoxy-7-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
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"}
2-methyl-1,3,6-trihydroxyanthraquinone3-o-(6'-o-acetyl)- α-l-rhamnosyl-(1→2)-β-d-glucoside
{"Ingredient_id": "HBIN005941","Ingredient_name": "2-methyl-1,3,6-trihydroxyanthraquinone3-o-(6'-o-acetyl)- \u03b1-l-rhamnosyl-(1\u21922)-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C29H32O16","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14768","TCMSP_id": "NA","TCM_ID_id": "NA","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"}
Acacetin-7-glucurono-(1-2)-glucuronide
{"Ingredient_id": "HBIN014297","Ingredient_name": "Acacetin-7-glucurono-(1-2)-glucuronide","Alias": "acacetin-7-glucurono-(1-2)-glucuronide","Ingredient_formula": "C28H28O17","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O","Ingredient_weight": "636.56","OB_score": "28.92477571","CAS_id": "NA","SymMap_id": "SMIT00948","TCMID_id": "25786","TCMSP_id": "MOL000152","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}