Exact Mass: 506.1437572

Quercetin 3-O-(6'-acetyl-glucoside)

[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetic acid

Quercetin 3-O-(6-acetyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)

Tricin 7-glucuronoside

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

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

6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetic acid

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

7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,21(26),22,24-tridecaene-9,20-dione

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-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetic acid

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

[6-(5,7-Dihydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

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.

3’, 4’, 5’-Tricetin O-hexoside

Diosbulbinoside D

(1R,5S,8S,10S,11S,13R)-8-(furan-3-yl)-10-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,14-dioxatetracyclo[11.2.1.0^{2,11}.0^{5,10}]hexadec-2-ene-6,15-dione

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

7-hydroxy-2-[3-hydroxy-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)phenyl]-3,5-dimethoxy-4H-chromen-4-one

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)

(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetic acid

Quercetin 3-(6-acetylglucoside) is isolated from Pinus sylvestris (Scotch pine). Isolated from Pinus sylvestris (Scotch pine)

Hydroxyclomipramine glucuronide

(2S,3S,4S,5R,6S)-6-({14-chloro-2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C25H31ClN2O7 (506.1819686)

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)

Methyl 3-cyano-5-{1-[3-cyano-4-methoxy-5-(methoxycarbonyl)phenyl]-6-methoxy-6-oxohex-1-en-1-yl}-2-methoxybenzoic acid

C27H26N2O8 (506.1689076)

3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one

3-(2H-1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]-2,5-dihydrofuran-2-one

2-Propyl-4-pentafluoroethyl-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylic acid

4-(1,1,2,2,2-pentafluoroethyl)-2-propyl-1-{[2-(2H-1,2,3,4-tetrazol-5-yl)-[1,1-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid

C23H19F5N6O2 (506.1489574)

Metaflumizone

N-{[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino}-N-[4-(trifluoromethoxy)phenyl]carbamimidic acid

C24H16F6N4O2 (506.1177388)

Syrups, hydrolyzed starch, hydrogenated

4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol

Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-

2,5,11,17-tetrahydroxy-7-(2-hydroxypropyl)-13-methoxy-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid

5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(7-imino-6-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid

5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(7-imino-6-methoxy-5,8-dioxo-5,6,7,8-tetrahydroquinolin-2-yl)-3-methylpyridine-2-carboxylic acid

C25H22N4O8 (506.1437572)

Protohypericin

7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecaene-9,20-dione

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

Dracunculifoside C

yricetin 3-acetylrhamnoside

Myricetin 3-O-(4-acetyl)-alpha-L-rhamnopyranoside

Okanin 4-methyl ether 4-(6-acetylglucoside)

2,3-Dihydroxy-4- [ (E) -3- (3-hydroxy-4-methoxyphenyl) propenoyl ] phenyl 6-O-acetyl-beta-D-glucopyranoside

Lysidiside E

Quercetin 3-(2-acetylgalactoside)

3- [ (2-O-Acetyl-beta-D-galactopyranosyl) oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one

Pannellin

LMPK12140436

6-Methoxyluteolin 7-glucuronide methyl ester

5,7,3,4-Tetrahydroxy-6-methoxyflavone 7-glucuronide methyl ester

Pentandrin glucoside

5,3-Dihydroxy-7,4,5-trimethoxyisoflavone 3-O-glucoside

Quercetin 3-(6-ethylglucuronide)

5,8-Dihydroxy-6,7,4-trimethoxyflavone 8-glucoside

8- (beta-D-Glucopyranosyloxy) -5-hydroxy-6,7-dimethoxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

Quercetin 3-(3-acetylgalactoside)

3,5,7,3,4-Pentahydroxyflavone 3- (3"-acetylgalactoside)

Kunzeachromone E

Lethedoside C

5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Myricetin 3-(2-acetylrhamnoside)

3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

1-O-Formylrocagloic acid

Kunzeachromone C

Mikanin 3-galactoside

3,5-Dihydroxy-6,7,4-trimethoxyflavone 3-galactoside

Okanin 4-methyl ether 3-(6-acetylglucoside)

3,2,3,4-Tetrahydroxy-4-methoxychalcone 3- (6"-acetylglucoside)

5,2,6-Trihydroxy-7,8-dimethoxyflavone 2-glucuronide

3-Hydroxy-2- (5-hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl) phenyl beta-D-glucopyranosiduronic acid

Prunioside A

Allobetonicoside

Kudzuisoflavone B

pendulin

2- [ 4- (beta-D-Glucopyranosyloxy) phenyl ] -5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one

Quercetin 3-glucoside-7-acetate

Jaceidin 7-rhamnoside

Hypochoeroside C

Mirabijalone C

5,2,3-Trihydroxy-7-methoxy-2-hydroxymethyl-6-methylisoflavone 3-O-glucoside

Chironiside

Campsiside

Morin 3,7,4-trimethyl ether 2-glucoside

5,2-Dihydroxy-3,7,4-trimethoxyflavone 2-glucoside

5-Hydroxycampenoside

4-O-Galloylchlorogenic acid

Balsaminone B

Nevadensin 5-glucoside

5- (beta-D-Glucopyranosyloxy) -7-hydroxy-6,8-dimethoxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

Nevadensin 7-glucoside

7-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Junipegenin B 7-O-glucoside

Tricetin 3,4-dimethyl ether 7-glucuronide

5,7,3-Trihydroxy-4,5-dimethoxyflavone 7-glucuronide

Candidol 3-glucoside

3,4-Dihydroxy-5,6,7-trimethoxyflavone 3-glucoside

6-Hydroxytricetin 6,4,5-trimethyl eter 3-rhamnoside

2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dimethoxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

Quercetin 7-(6-acetylglucoside)

7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one

4,6,2,4-Tetramethoxychalcone 2-beta-glucoside

6'-O-Acetylisoquercitrin

3- [ (6-O-Acetyl-beta-D-glucopyranosyl) oxy ] -3,4,5,7-tetrahydroxyflavone

Acquisition and generation of the data is financially supported in part by CREST/JST.

MCULE-6577862437

Perseitol heptaacetate

Dianhydrorugulosin

Guangsangon L

C21H30O14

kodemarioside B

3,4,-dihydro-6,8-dihydroxy-3-(2-acetyl-3-O-beta-D-glucopyranosyl-5-hydroxyphenyl)methyl-2(1H)-benzopyran-1-one

2-O-coumaroylplantarenaloside

(6-O-acetyl)isoquercitrine

C21H30O14

(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

6-acetyl-beta-D-glucopyranosyldiderroside

protogenkwanin 4-O-(2-O-acetyl)-beta-D-glucoside

quercetagetin-7-O-(6-O-acetyl-beta-glucopyranoside)

Yemuoside YMI

7-O-sinapoylkaempferide

dihydrohypothemycin triacetate

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

desmethyl-brusatol

C18H34O16

[(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

3,4-Di-Me ether-Xanthocercin B

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

quercitrin 4-O-acetate

Cyrtophylin

3,4-methylendioxymethylrocaglate|4-demethoxy-3,4-methylenedioxymethyl rocaglate|Rocaglamide derivative 8

protogenkwanin 4-O-(6-O-acetyl)-beta-D-glucoside

C25H30O11

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

C22H36Br2O3 (506.10310259999994)

Pinnaterpene A

1,6-Di-O-beta-D-glucopyranosyl-D-mannitol

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

C30H18O8

sebestenoid A

sebestenoid B

C31H26N2O5 (506.18416260000004)

Clausenawalline B

5,7,3-trihydroxy-6,4-dimethoxyflavone 7-O-beta-D-galacturonopyranoside|demethoxycentaureidin 7-O-beta-D-galacturonopyranoside

hebitol II

A natural product found in Veronica lavaudiana.

4-demethoxy-3,4-methylenedioxy-methyl rocaglate

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

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

7-O-(E)-p-coumaroylcachineside I

(5S)-6-O-(3,4-dihydroxy cinnamoyl)-1-O-beta-D-glucopyranosyl-geraniol-5,10-olide|sibiraglycoside G

4-O-caffeylswertiamarin

16E-brachycalyxolide

Neoboutomannin

C32H26O6 (506.17292960000003)

(-)-4-methoxy-7-O-(6-acetyl)-beta-D-glucopyranosyl-8,3-dihydroxyflavanone

5,3,4,5-tetramethoxyflavanone-7-O-rhamnopyranoside

ayanin 3-O-beta-D-glucopyranoside

CHEMBL3104735

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

WS 79089B

Microcarpin

2-apiosylgardoside

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

Asphodelin

5,5-Bisoranjidiol

nepetin 7-glucuronide

Me glycoside,penta-Ac-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose

Hexa-Ac-alpha-D-(2S)-1-O-Glucopyranosylglycerol

alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-Gal-ol

Chrysotalunin

1,8-di-O-(3-methoxy-4-hydroxybenzoyl)-3,6-dihydroxycyclooctane-2,7-endoperoxide

Lespedezol B2

C31H22O7 (506.1365462)

[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate

Abyquinone A

floridoside

pleioside A|tricin 7-methyl ether-4-O-beta-D-glucopyranoside

CHEMBL498129

C32H26O6 (506.17292960000003)

duranterectoside D

C24H26O12

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

SCHEMBL12557979

1,1-Bis(4,5-dihydroxy-2-methyl anthraquinone)|4,4,5,5-Tetrahydroxy-2,2-dimethyl-1,1-bianthrachinon|Siameanin

Delphinidin 3-(6-O-acetylgalactoside)

Hirsutidin 3-glucoside

3’,4’,5’-Tricetin-O-hexoside

7-GlcA tricin

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Tricin 7-O-glucuronide is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available.

Gluco-obtusin

6-Acetylhyperin

6-O-Acetylhyperoside

6-Acetylhyperin is a natural product found in Nymphaea odorata with data available.

Darifenacin HBr

Darifenacin hydrobromide

C28H31BrN2O2 (506.1568766)

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

NCGC00380643-01!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

NCGC00168943-02![(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

NCGC00381225-01_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

NCGC00385751-01_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