Exact Mass: 506.1438
Exact Mass Matches: 506.1438
Found 500 metabolites which its exact mass value is equals to given mass value 506.1438
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
bas 320i
streptonigrin
Nigrin b, also known as rufocromomycin or nigrin, is a member of the class of compounds known as bipyridines and oligopyridines. Bipyridines and oligopyridines are organic compounds containing two pyridine rings linked to each other. Nigrin b is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Nigrin b can be found in black elderberry, which makes nigrin b a potential biomarker for the consumption of this food product. rRNA N-glycosylase (EC 3.2.2.22, ribosomal ribonucleate N-glycosidase, nigrin b, RNA N-glycosidase, rRNA N-glycosidase, ricin, momorcochin-S, Mirabilis antiviral protein, gelonin, saporins) is an enzyme with systematic name rRNA N-glycohydrolase. This enzyme catalyses the following chemical reaction Hydrolysis of the N-glycosylic bond at A-4324 in 28S rRNA from eukaryotic ribosomes . C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000970 - Antineoplastic Agents
Quercetin 3-O-(6'-acetyl-glucoside)
Quercetin 3-O-(6-acetyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Tricin 7-glucuronoside
Tricin 7-glucuronoside is found in alfalfa. Tricin 7-glucuronoside is isolated from alfalfa (Medicago sativa). Isolated from alfalfa (Medicago sativa). Tricin 7-glucuronoside is found in alfalfa and pulses.
4'-O-Acetylmyricitrin
4-O-Acetylmyricitrin is found in fruits. 4-O-Acetylmyricitrin is a constituent of the leaves of Eugenia jambolana (jambolan). Constituent of the leaves of Eugenia jambolana (jambolan). Myricetin 3-(4-acetylrhamnoside) is found in fruits.
Protohypericin
Isolated from Hypericum perforatum (St. Johns Wort). Protohypericin is found in tea, alcoholic beverages, and herbs and spices. Protohypericin is found in alcoholic beverages. Protohypericin is isolated from Hypericum perforatum (St. Johns Wort).
Glyphoside
2-O-Acetylhyperin is found in alcoholic beverages. 2-O-Acetylhyperin is a constituent of Hypericum perforatum (St Johns wort). Isolated from leaves of Glycyrrhiza glabra (licorice). Glyphoside is found in tea and herbs and spices.
Isobiflorin 6'-gallate
Isobiflorin 6-gallate is found in herbs and spices. Isobiflorin 6-gallate is a constituent of Syzygium aromaticum (clove). Constituent of Syzygium aromaticum (clove). Isobiflorin 6-gallate is found in herbs and spices.
Diosbulbinoside D
Diosbulbinoside D belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Diosbulbinoside D is an extremely weak basic (essentially neutral) compound (based on its pKa). Diosbulbinoside D is found in root vegetables. Diosbulbinoside D has been isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). Diosbulbinoside D is found in root vegetables.
Caryatin glucoside
Caryatin glucoside is found in nuts. Caryatin glucoside is isolated from pecan nuts Carya pecan. Isolated from pecan nuts Carya pecan. 3,5-Dimethylquercetin glucoside is found in nuts.
Quercetin 3-(6'-acetylglucoside)
Quercetin 3-(6-acetylglucoside) is isolated from Pinus sylvestris (Scotch pine). Isolated from Pinus sylvestris (Scotch pine)
Hydroxyclomipramine glucuronide
Hydroxyclomipramine glucuronide is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
Dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one
2-Propyl-4-pentafluoroethyl-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylic acid
Metaflumizone
Syrups, hydrolyzed starch, hydrogenated
Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-
5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(7-imino-6-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid
Protohypericin
Protohypericin is a natural product found in Polygala sellowiana, Hypericum perforatum, and Cortinarius austrovenetus with data available.
6-Hydroxyluteolin 6,7,3-trimethyl ether 4-glucoside
Okanin 4-methyl ether 4-(6-acetylglucoside)
Quercetin 3-(2-acetylgalactoside)
6-Methoxyluteolin 7-glucuronide methyl ester
5,8-Dihydroxy-6,7,4-trimethoxyflavone 8-glucoside
Lethedoside C
3,3,4-tri-O-Methylellagic acid 4-O-beta-D-glucopyranoside
Myricetin 3-(2-acetylrhamnoside)
Okanin 4-methyl ether 3-(6-acetylglucoside)
5,2,6-Trihydroxy-7,8-dimethoxyflavone 2-glucuronide
Nevadensin 5-glucoside
Nevadensin 7-glucoside
6-Hydroxytricetin 6,4,5-trimethyl eter 3-rhamnoside
Quercetin 7-(6-acetylglucoside)
6'-O-Acetylisoquercitrin
Acquisition and generation of the data is financially supported in part by CREST/JST.
3,4,-dihydro-6,8-dihydroxy-3-(2-acetyl-3-O-beta-D-glucopyranosyl-5-hydroxyphenyl)methyl-2(1H)-benzopyran-1-one
(2)-7-beta-glucosyloxy-5-hydroxy-4-methoxy-6-methoxymethyl-8-methylflavanone
Cistiglaucolid-8-O-methacrylat|Cistiglaucolide 8-methacrylate
Me glycoside,penta-Ac-alpha-Pyranose-3-O-beta-L-Arabinopyranosyl-L-arabinose
quercetagetin-7-O-(6-O-acetyl-beta-glucopyranoside)
1-[(2R,3S)-2,3-dihydro-2-(4-beta-D-glucopyranosyloxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-yl]ethanone|bombasin 4-O-beta-D-glucoside
[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1,2,3-Tri-Me ether,6-O-beta-D-glucopyranoside-2,3,6,8-Pentahydroxy-7-methylanthraquinone
Syringic acid methyl ester 4-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside|Syringic acid methyl ester-4-O-??-D-apiofuranosyl-(1鈥樏傗垎2)-??-D-glucopyranoside
3,4-methylendioxymethylrocaglate|4-demethoxy-3,4-methylenedioxymethyl rocaglate|Rocaglamide derivative 8
2R-O-(4-O-beta-D-glucopyranosyl caffeoyl)-3-(4-hydroxyphenyl) lactic acid|4-O-beta-D-glucopyranosyl isorinic acid
3,3,4-trimethyl-4-O-beta-D-glucopyranosyl-ellagic acid
7-O-(Acetyl-beta-D-glucopyranoside)-3,4,5,6,7-Pentahydroxyflavone
7,8,4-trihydroxy-3,5-dimethoxy-6-methylflavonol-8-O-beta-D-glucopyranoside
5,7,3-trihydroxy-6,4-dimethoxyflavone 7-O-beta-D-galacturonopyranoside|demethoxycentaureidin 7-O-beta-D-galacturonopyranoside
1-(4-beta-D-glucopyranosyloxybenzyl) 4-methyl (2R)-2-benzylmalate
3,5-dihydroxy-2-hydroxymethyl-7-methoxy-6-methylisoflavone 2-O-beta-D-glucopyranoside|3-[2-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-2-hydroxymethyl-7-methoxy-6-methyl-4H-1-benzopyran-4-one|boeravinone Q
syringic acid 4-O-beta-D-glucopyranosyl-(1?5)-alpha-L-rhamnopyranoside
floramanoside E|quercetin-3-O-(6??-acetyl)-beta-D-glucopyranoside
(5S)-6-O-(3,4-dihydroxy cinnamoyl)-1-O-beta-D-glucopyranosyl-geraniol-5,10-olide|sibiraglycoside G
(-)-4-methoxy-7-O-(6-acetyl)-beta-D-glucopyranosyl-8,3-dihydroxyflavanone
5,3,4,5-tetramethoxyflavanone-7-O-rhamnopyranoside
pleioside B|tricin 7-methyl ether-5-O-beta-D-glucopyranoside
5,6,7,3,4-pentahydroxyflavone-7-O-(6-O-acetyl)-beta-D-glucopyranoside
Me glycoside,penta-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose
O-(Tetra-O-acetyl-beta-D-glucopyranoside)-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one
myricetin 3-O-(3-O-acetyl)-alpha-L-rhamnoside|myricetin-3-O-alpha-L-(acetyl)-rhamnopyranoside
Me glycoside,penta-Ac-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose
1,8-di-O-(3-methoxy-4-hydroxybenzoyl)-3,6-dihydroxycyclooctane-2,7-endoperoxide
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate
pleioside A|tricin 7-methyl ether-4-O-beta-D-glucopyranoside
benzyl [5-O-benzoyl-beta-D-apiofuranosyl(1-2)]-beta-D-glucopyranoside
4-[1,4-Dihydro-1,4-dioxo-3-(1-methoxy-1-methylethyl)naphthalene-2-yl]anthra[2,3-c]furan-1,3,5,10-tetrone
1,1-Bis(4,5-dihydroxy-2-methyl anthraquinone)|4,4,5,5-Tetrahydroxy-2,2-dimethyl-1,1-bianthrachinon|Siameanin
7-GlcA tricin
Tricin 7-O-glucuronide is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available.
6-Acetylhyperin
6-Acetylhyperin is a natural product found in Nymphaea odorata with data available.
Darifenacin HBr
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Darifenacin hydrobromide (UK-88525 hydrobromide) is a selective M3 muscarinic receptor antagonist with a pKi of 8.9.
4-Methoxy-7-O-(6-acetyl)-??-D-glucopyranosyl-8,3-dihydroxyflavanone
3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
C21H30O14_2,3,4,5,6-Pentahydroxycyclohexyl 4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)hexopyranoside
C21H30O14_4-{[1-(Hexopyranosyloxy)-4-(methoxycarbonyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl]oxy}-3-hydroxy-4-oxobutanoic acid
3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Cys Asp Asn Arg
Cys Asp Arg Asn
Cys Glu Gln Gln
Cys Gln Glu Gln
Cys Gln Gln Glu
Asp Asp Glu Glu
Asp Glu Asp Glu
Asp Glu Glu Asp
Asp Met Asn Gln
Asp Met Gln Asn
Asp Asn Met Gln
Asp Asn Gln Met
Asp Gln Met Asn
Asp Gln Asn Met
Glu Cys Gln Gln
Glu Asp Asp Glu
Glu Asp Glu Asp
Glu Glu Asp Asp
Glu Glu Glu Thr
Glu Glu Thr Glu
Glu Met Met Pro
Glu Met Asn Asn
Glu Met Pro Met
Glu Asn Met Asn
Glu Asn Asn Met
Glu Pro Met Met
Glu Gln Cys Gln
Glu Gln Gln Cys
Glu Thr Glu Glu
Met Asp Asn Gln
Met Asp Gln Asn
Met Glu Met Pro
Met Glu Asn Asn
Met Glu Pro Met
Met Met Glu Pro
Met Met Pro Glu
Met Asn Asp Gln
Met Asn Glu Asn
Met Asn Asn Glu
Met Asn Gln Asp
Met Pro Glu Met
Met Pro Met Glu
Met Gln Asp Asn
Met Gln Asn Asp
Asn Asp Met Gln
Asn Asp Gln Met
Asn Glu Met Asn
Asn Glu Asn Met
Asn Met Asp Gln
Asn Met Glu Asn
Asn Met Asn Glu
Asn Met Gln Asp
Asn Asn Glu Met
Asn Asn Met Glu
Asn Gln Asp Met
Asn Gln Met Asp
Pro Glu Met Met
Pro Met Glu Met
Pro Met Met Glu
Gln Cys Glu Gln
Gln Cys Gln Glu
Gln Asp Met Asn
Gln Asp Asn Met
Gln Glu Cys Gln
Gln Glu Gln Cys
Gln Met Asp Asn
Gln Met Asn Asp
Gln Asn Asp Met
Gln Asn Met Asp
Gln Gln Cys Glu
Gln Gln Glu Cys
Thr Glu Glu Glu
Tricin 7-glucuronide
Quercetin 3- (3-acetylgalactoside)
Viscumneoside VI
A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted to the corresponding (6-O-acetyl)-beta-D-glucopyranoside. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism.
Quercetin 3-O-(6''-acetyl-glucoside)
Diosbulbinoside D
Glyphoside
4''-O-Acetylmyricitrin
Isobiflorin 6''-gallate
6-Hydroxytricetin 6,4,5-trimethyl ether 3-rhamnoside
[4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester
4-Methylumbelliferyl2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
METHYL 2,3,4-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSIDE
(4aR,5aS,13aR,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one,2,3-dihydroxypropyl dihydrogen phosphate
methyl 2,3,6-tri-o-benzoyl-alpha-d-galactopyranoside
2-[N-(2-acetoxyethyl)-4-chloro-2-nitro-5-[2-(propionamido)anilino]anilino]ethyl acetate
Fupentixol dihydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Flupentixol is an orally active D1/D2 dopamine receptor antagonist and new PI3K inhibitor (PI3Kα IC50=127 nM). Flupentixol shows anti-proliferative activity to cancer cells and induces apoptosis. Flupentixol can also be used in schizophrenia, anxiolytic and depressive research[1][2][3].
PF-431396
(E)-2-(3-Hydroxy-4-methoxyphenyl)ethyl 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] beta-D-glucopyranoside
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide,dihydrochloride
4-Methylumbelliferyl2,3,4,6-tetra-O-acetyl-a-D-glucopyranoside
Methyl 2,3,6-tri-O-benzoyl-alpha-D-mannopyranoside
1-[N-[6-[[amino-[(4-chlorophenyl)carbamoylamino]methylidene]amino]hexyl]carbamimidoyl]-3-(4-chlorophenyl)urea
Benzenamine, 4,4-[[2-(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)-1,4-phenylene]bis(oxy)]bis-
Rovafovir etalafenamide
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Linrodostat mesylate
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
2-Propyl-4-pentafluoroethyl-1-((2-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylic acid
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one
8-O-Cinnamoylmussaenosidic Acid
A natural product found in Anarrhinum orientale.
3-(N-formyl-L-methionyl)-AMP
An L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of N-formyl-L-methionine with the 3-hydroxy group of AMP.
N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
6-O-cinnamoylmussaenosidic acid, (rel)-
A natural product found in Anarrhinum orientale.
beta-D-galactosyl-(1->6)-beta-D-galactosyl-(1->6)-D-galactitol
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide
Ethyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxycarbonylphenyl)-6-methyl-4,5-dihydrothieno[2,3-b]pyridine-5-carboxylate
3,4,5-Trihydroxy-6-[2-[6-(1-hydroxy-2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propan-2-yloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propoxy]oxane-2-carboxylic acid
[(E)-4-[5-[3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-oxopropyl]-2-hydroxyphenyl]-2-methylbut-2-enyl] hydrogen sulate
3,4,5-Trihydroxy-6-[2-[2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-6-yl]-2-methylbut-3-enoxy]oxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[4-[5-[(4-aminophenyl)sulfonylamino]pyrazol-1-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl acetate
bruneomycin
Complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000970 - Antineoplastic Agents
(1s,2s,5s,6r,9s,10r)-2,5-dihydroxy-10-(4-hydroxy-3-methoxybenzoyloxy)-7,8-dioxabicyclo[4.2.2]decan-9-yl 4-hydroxy-3-methoxybenzoate
[(2r,3r,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(4s)-3-[(1s)-1-(acetyloxy)ethyl]-2-{[(2s,3r,4s,5s,6r)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5-(methoxycarbonyl)-3,4-dihydro-2h-pyran-4-yl]acetic acid
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trimethoxyphenyl)chromen-4-one
(1s,4as,7s,7as)-7-methyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
methyl (2e)-3-(3,4-dihydroxyphenyl)-2-{4-[(1e)-3-{[(1z)-2-(3,4-dihydroxyphenyl)ethenyl]oxy}-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}prop-2-enoate
6,7,14-trimethoxy-13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
(1s,4as,7ar)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-5-one
(2r,3r)-4-(acetyloxy)-2,3-bis(2,4-dihydroxy-6-methylbenzoyloxy)butyl acetate
methyl 3-(3,4-dihydroxyphenyl)-2-[4-(3-{[2-(3,4-dihydroxyphenyl)ethenyl]oxy}-3-oxoprop-1-en-1-yl)-2-hydroxyphenoxy]prop-2-enoate
(3r,4s,5s,6r)-4,5-dihydroxy-6-{[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]methyl}oxan-3-yl benzoate
(6-{[2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate
(1s,4as,6s,7r,7as)-4-formyl-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-6-yl (2e)-3-phenylprop-2-enoate
methyl (10s,11r,12r,13s,14r)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxylate
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{2-[(2s)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylate
(2s)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(1s,4ar,6s,7r,7ar)-4-formyl-4a-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (2e)-3-phenylprop-2-enoate
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl 3-(4-methoxyphenyl)prop-2-enoate
3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
(1s,4s,5s,8as,12s,12as)-4-hydroxy-1,4,5-trimethyl-3,7-dioxo-12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,8h,8ah,12h,12ah-pyrano[3,4-g][1,5]dioxecine-9-carboxylic acid
[(2r,3s,4r,5r,6s)-6-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
1,1',8,8'-tetrahydroxy-3,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetrone
7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1s,4ar,5s,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl (2e)-3-(4-methoxyphenyl)prop-2-enoate
3-(3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxychromen-4-one
4,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-(3,4-dimethoxyphenyl)-5-hydroxy-3-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2,12-bis(7-hydroxy-4-oxochromen-3-yl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one
21-methoxy-20-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
3-(formyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylic acid
2,2'-bis[(1,8-dihydroxy-3-methyl)anthraquinone]
{"Ingredient_id": "HBIN003685","Ingredient_name": "2,2'-bis[(1,8-dihydroxy-3-methyl)anthraquinone]","Alias": "NA","Ingredient_formula": "C30H18O8","Ingredient_Smile": "CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=CC=C6O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,3',4-o-trimethyl-4'-o-β-d-glucopyranosyl-ellagicacid
{"Ingredient_id": "HBIN007129","Ingredient_name": "3,3',4-o-trimethyl-4'-o-\u03b2-d-glucopyranosyl-ellagicacid","Alias": "NA","Ingredient_formula": "C23H22O13","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC5C(C(C(C(O5)CO)O)O)O)C(=O)O2)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21945","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[1,4-dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone,9ci
{"Ingredient_id": "HBIN009813","Ingredient_name": "4-[1,4-dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone,9ci","Alias": "NA","Ingredient_formula": "C30H18O8","Ingredient_Smile": "NA","Ingredient_weight": "506.46","OB_score": "NA","CAS_id": "273727-82-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7869","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-galloylchlorogenic acid
{"Ingredient_id": "HBIN010769","Ingredient_name": "4-o-galloylchlorogenic acid ","Alias": "NA","Ingredient_formula": "C23H22O13","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O","Ingredient_weight": "506.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20956","PubChem_id": "10929258","DrugBank_id": "NA"}
5-hydroxy-6,7,3'-trimethoxyflavone-8-o-β-d-glucoside
{"Ingredient_id": "HBIN011623","Ingredient_name": "5-hydroxy-6,7,3'-trimethoxyflavone-8-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C24H26O12","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5- hydroxycampenoside
{"Ingredient_id": "HBIN011677","Ingredient_name": "5- hydroxycampenoside","Alias": "5-hydroxycampenoside","Ingredient_formula": "C25H30O11","Ingredient_Smile": "CC1C(CC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4","Ingredient_weight": "506.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32314;9877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101599956","DrugBank_id": "NA"}
6'-o-α-l-arabinopyranosylswertiamarin
{"Ingredient_id": "HBIN012631","Ingredient_name": "6'-o-\u03b1-l-arabinopyranosylswertiamarin","Alias": "NA","Ingredient_formula": "C21H30O14","Ingredient_Smile": "C=CC1C(OC=C2C1(CCOC2=O)O)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1593","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
balsaminone B
{"Ingredient_id": "HBIN017566","Ingredient_name": "balsaminone B","Alias": "NA","Ingredient_formula": "C27H22O10","Ingredient_Smile": "COC1=C(C2=CC=CC=C2C3=C1C4=C(O3)C(=O)C5=CC=CC=C5C4=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "506.5 g/mol","OB_score": "37.06636517","CAS_id": "NA","SymMap_id": "SMIT09859","TCMID_id": "NA","TCMSP_id": "MOL008597","TCM_ID_id": "NA","PubChem_id": "10815442","DrugBank_id": "NA"}