Exact Mass: 534.088212
Exact Mass Matches: 534.088212
Found 215 metabolites which its exact mass value is equals to given mass value 534.088212,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Luteolin 7-malonylglucoside
Luteolin 7-malonylglucoside, also known as luteolin 7-O-B-D-(6-O-malonyl) glucopyranoside, 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. Luteolin 7-malonylglucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-malonylglucoside can be found in celery leaves, globe artichoke, and wild celery, which makes luteolin 7-malonylglucoside a potential biomarker for the consumption of these food products.
4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables. 4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is isolated from spinach (Spinacia oleracea). Isolated from spinach (Spinacia oleracea). 4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables and spinach.
2'-Hydroxygenistein 7-(6'-malonylglucoside)
2-Hydroxygenistein 7-(6-malonylglucoside) is found in pulses. 2-Hydroxygenistein 7-(6-malonylglucoside) is isolated from the roots of Lupinius albus (white lupin). Isolated from the roots of Lupinius albus (white lupin). 2-Hydroxygenistein 7-(6-malonylglucoside) is found in pulses and white lupine.
3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide
3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide is found in green vegetables. 3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide is a constituent of spinach.
6'-Malonylastragalin
6-Malonylastragalin is found in pear. 6-Malonylastragalin is a constituent of Cicer sp. and pears. Constituent of Cicer species and pears. 6-Malonylastragalin is found in pomes, pulses, and pear.
Ceftobiprole
Rocepafant
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Ruberythric acid
Kaempferol 3-O-(6-malonyl-glucoside)
Kaempferol 3-o-(6"-malonyl-glucoside) 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. Kaempferol 3-o-(6"-malonyl-glucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Kaempferol 3-o-(6"-malonyl-glucoside) can be found in endive and lettuce, which makes kaempferol 3-o-(6"-malonyl-glucoside) a potential biomarker for the consumption of these food products.
Apigenin 7-(6'-malonylglucoside)
Apigenin 7-(6-malonylglucoside) 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. Apigenin 7-(6-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Apigenin 7-(6-malonylglucoside) can be found in german camomile, lupine, and parsley, which makes apigenin 7-(6-malonylglucoside) a potential biomarker for the consumption of these food products.
5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
5,4-dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is a member of the class of compounds known as flavonoid o-glucuronides. Flavonoid o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. 5,4-dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5,4-dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide can be found in spinach, which makes 5,4-dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide a potential biomarker for the consumption of this food product.
6,8-Di-C-beta-D-arabinopyranosylapigenin
6,8-di-c-beta-d-arabinopyranosylapigenin is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 6,8-di-c-beta-d-arabinopyranosylapigenin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,8-di-c-beta-d-arabinopyranosylapigenin can be found in tea, which makes 6,8-di-c-beta-d-arabinopyranosylapigenin a potential biomarker for the consumption of this food product.
Luteolin 7-(6'-malonylglucoside)
Luteolin 7-(6-malonylglucoside) 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. Luteolin 7-(6-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-(6-malonylglucoside) can be found in carrot and wild carrot, which makes luteolin 7-(6-malonylglucoside) a potential biomarker for the consumption of these food products.
Apigenin 6-C-α-L-arabinopyranosyl-8-C-β-D-xylopyranoside
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside is a natural product found in Viola philippica with data available.
5,7,4-Trihydroxyflavone 6-C-xylopyranoside-8-C-arabinopyranoside
5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide
Parthenosin
Quercetin 3-(4-malonylrhamnoside)
Okanin 4-O-(4,6-di-O-acetylglucoside)
6,9-Dihydroxy-2,310-trimethoxy-6a,12a-didehydrorotenone 9-O-glucoside
6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
6-O-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
6-Malonylastragalin
epiphyllic acid-7-O-beta-glucoside-10-methyl ester
3t-[6-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-benzofuran-5-yl]-acrylic acid|3t-[6-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-benzofuran-5-yl]-acrylsaeure|psoralic acid-(6<--1)-O-beta-D-glucopyranoside acetate
apigenin-7-O-beta-D-apiofuranosyl-(1->2)-beta-D-apiofuranoside
6-beta-C-(2-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|6-beta-C-(2-O-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|6-??-C-(2-Galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone
8-beta-C-(2-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|8-beta-C-(2-O-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|8-??-C-(2-Galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone
4,5-di-O-(4-hydroxy-3,5-methoxy-benzoyl)-shikimic acid
7-hydroxy-3,5,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside
luteolin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>
7-hydroxy-5,6,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside
(5aS)-5c,13c-diacetoxy-7a,15a-bis-methylsulfanyl-(5ar,7at,13ac,15at)-5,5a,7a,8,13,13a,15a,16-octahydro-bis(oxepino[3,4:4,5]pyrrolo)[1,2-a;1,2-d]pyrazine-7,15-dione|bisdethiobis(methylthio)acetylaranotin|bisdethiodi(methylthio)acetylaranotin|Didethiodi(methylthio)acetylaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-aranotin|S,S-Seco-S,S-dimethyl-acetylaranotin
C24H26N2O8S2 (534.1130516000001)
5,3,4-trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4-beta-D-glucuronide methyl ester
isopsoralic acid-(4<--1)-O-beta-D-glucopyranoside acetate
6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
Apigenin-6-C-β-D-xylopyranosyl-8-C-α-L-arabinopyranoside
Apigenin6-C-α-L-arabinopyranosyl-8-C-β-D-xylopyranoside
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside is a natural product found in Viola philippica with data available.
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid
C22H27ClO13_(1R,4S,5R,6S,7R,8S)-5-Chloro-9-(beta-D-glucopyranosyloxy)-4-hydroxy-2,10-dioxatricyclo[5.3.1.0~4,8~]undec-6-yl 3,4-dihydroxybenzoate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846878]
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based: Match]
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based on: CCMSLIB00000848198]
6''-Malonylastragalin
4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide
2'-Hydroxygenistein 7-(6''-malonylglucoside)
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide
(2S,3R,4S,5S,6R)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
2-(biphenyl-4-yl)-4,6-diphenylpyrylium perchlorate
Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium
C30H22F4N2Ti (534.1198489999999)
Phenylmethyl 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranoside monosodium salt
Ceftobiprole
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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Praliciguat
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D005765 - Gastrointestinal Agents > D000074268 - Guanylyl Cyclase C Agonists D020536 - Enzyme Activators
3,3-Dimethoxy-4-(beta-D-glucopyranuronosyloxy)-5-hydroxy-6,7-(methylenedioxy)flavone
1-Benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-)
A nucleotide-sugar oxoanion that is the conjugate base of UDP-4-amino-4-deoxy-beta-L-arabinopyranose, arising from deprotonation of the diphosphate group and protonation of the amino group.
(R)-lipoyl-AMP(1-)
A lipoyl-AMP(1-) obtained by deprotonation of the phosphate OH group of (R)-lipoyl-AMP; major species at pH 7.3.
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxidoiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-1-ium-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(Z)-(2-oxo-1-pyrrolidin-3-ylpyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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
4-[3,5-Bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
lipoyl-AMP(1-)
Conjugate base of lipoyl-AMP arising from deprotonation of the free phosphate OH group.
2-(Thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester
1-(4-Bromophenyl)-1-methyl-6-nitro-2-phenylspiro[1,3-diazinane-5,3-2,4-dihydroquinoline]-2,4,6-trione
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone
3-(1,3-benzodioxol-5-yl)-1-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin
ustilaginoidin I
A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-benzo[g]chromen-4-one and (6S)-5,6,8-trihydroxy-2-methyl-6,9-dihydro-4H-benzo[g]chromen-4-one.
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid
3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide
4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide
6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)apigenin
A flavone C-glycoside that consists of apigenin carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl 2-(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)propanoate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2-(benzoyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl benzoate
3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
7a,9,14,15a,16-pentahydroxy-12-methoxy-3-methyl-6,7-dihydro-2-oxahexaphene-1,8,10,13,15-pentone
(2r)-2-amino-4-{4-[(e)-{[(3s)-1-[carboxy(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
7a,8,15,15a,16-pentahydroxy-12-methoxy-3-methyl-6,7-dihydro-2-oxahexaphene-1,9,10,13,14-pentone
16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate
C24H26N2O8S2 (534.1130516000001)
3-(4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
6-c-β-l-arabinopyranosyl-8-c-α-l-arabinopyra-nosylapigenin
{"Ingredient_id": "HBIN012288","Ingredient_name": "6-c-\u03b2-l-arabinopyranosyl-8-c-\u03b1-l-arabinopyra-nosylapigenin","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1560","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-α-l-arabinopyranosyl-8-c-β-d-xylopyranoside
{"Ingredient_id": "HBIN016423","Ingredient_name": "apigenin-6-c-\u03b1-l-arabinopyranosyl-8-c-\u03b2-d-xylopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14329","TCMID_id": "1481","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-α-l-arabinopyranosyl-8-c-β-l-arabinopyranoside
{"Ingredient_id": "HBIN016424","Ingredient_name": "apigenin-6-c-\u03b1-l-arabinopyranosyl-8-c-\u03b2-l-arabinopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(CO4)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14328","TCMID_id": "1480","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-β-d-xylopyranosyl-8-c-α-l-arabi-nopyranoside
{"Ingredient_id": "HBIN016429","Ingredient_name": "apigenin-6-c-\u03b2-d-xylopyranosyl-8-c-\u03b1-l-arabi-nopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14337","TCMID_id": "1501","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]anthracene-9,10-dione
[3-(acetyloxy)-6-{4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy}-4,5-dihydroxyoxan-2-yl]methyl acetate
(2s,3r,4s,5s,6r)-2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-8-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
(2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
[(2s,3s,4r,5r,6s)-3-(acetyloxy)-6-{4-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy}-4,5-dihydroxyoxan-2-yl]methyl acetate
(2r,3r,4s,5s)-2,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,5-dihydroxyhexanedioic acid
2,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydroxyhexanedioic acid
6-chloro-7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4-dihydroxybenzoate
6-[(2s,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
10-chloro-2,4-dihydroxy-7-(4-hydroxy-2-methoxy-6-methylphenyl)-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
(1s,4as,7r,7as)-4'-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]-6-[(2r,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
(2s,3r,4s,5s,6r)-2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
(2r,3s,4r,5s)-2,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydroxyhexanedioic acid
(1r,4as,7r,7as)-4'-[hydroxy(4-hydroxyphenyl)methyl]-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]-8-[(2s,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
6,8-bis[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
4'-[hydroxy(4-hydroxyphenyl)methyl]-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid
3-{[(2s,3r,4s,5s,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid
(1r,4r,5r,12r,15s,16r)-16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate
C24H26N2O8S2 (534.1130516000001)
(2e)-3-(4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
3-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-3-oxopropanoic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({14-hydroxy-7,13-dimethoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)oxan-2-yl]methyl acetate
(7ar,15as)-7a,9,14,15a,16-pentahydroxy-12-methoxy-3-methyl-6,7-dihydro-2-oxahexaphene-1,8,10,13,15-pentone
methyl 3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
[4-(acetyloxy)-6-{4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy}-3,5-dihydroxyoxan-2-yl]methyl acetate
3-{[(2s,3r,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3-oxopropanoic acid
(2r)-2-amino-4-{4-[(e)-{[(3s)-1-[(r)-carboxy(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
3-{[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid
(2e)-3-(6-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4-dihydroxy-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
(3r,4r,5s,6s)-6-[(1-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-1-oxopropan-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
7,21,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.0¹,¹⁷.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,²².0²⁴,²⁹]hentriaconta-3(16),4(13),6,8,10,14,19,21,24,26,28-undecaene-5,12,23-trione
(3r,4s,5r)-5-hydroxy-3,4-bis(4-hydroxy-3,5-dimethoxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl (2r)-2-[(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carbonyloxy]propanoate
2-amino-4-{4-[({1-[carboxy(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}-c-hydroxycarbonimidoyl)(hydroxyimino)methyl]phenoxy}butanoic acid
7-(3-chloro-2,4-dimethoxy-6-methylphenyl)-2,4,9-trihydroxy-12,12-dimethyltetracene-5,6,11-trione
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]-6-[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
(2s,3s,4s,5r,6s)-6-{[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(1r,4s,5s,12r,15s,16s)-16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate
C24H26N2O8S2 (534.1130516000001)