Exact Mass: 534.1454130000001

Exact Mass Matches: 534.1454130000001

Found 286 metabolites which its exact mass value is equals to given mass value 534.1454130000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CERCOSPORIN

Cercosporin from Cercospora hayii

C29H26O10 (534.1525896)


An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. CONFIDENCE isolated standard

   

Luteolin 7-malonylglucoside

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

C24H22O14 (534.1009512)


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.

   

Dalpanin

3- [ 2,3-Dihydro-6-hydroxy-2- (1-hydroxy-1-methylethyl) benzofuran-5-yl ] -8- (beta-D-glucopyranosyl) -2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

C26H30O12 (534.173718)


   

Aprepitant

3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one

C23H21F7N4O3 (534.15018)


Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV). A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Aprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd of 86 pM.

   
   

Isosyringinoside

2-{[(2Z)-3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C23H34O14 (534.1948464)


Isosyringinoside is found in herbs and spices. Isosyringinoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). Isosyringinoside is found in herbs and spices.

   

4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid

C24H22O14 (534.1009512)


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)

3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)


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

6-{[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O14 (534.1009512)


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

3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)


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

7-{[1-hydroxy-2-(hydroxyimino)-2-(5-imino-4,5-dihydro-1,2,4-thiadiazol-3-yl)ethylidene]amino}-8-oxo-3-({2-oxo-[1,3-bipyrrolidine]-3-ylidene}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C20H22N8O6S2 (534.1103672)


   

Delamanid

1-[4-({2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl}methoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

C25H25F3N4O6 (534.1726106)


   

ent-Aprepitant

3-[(2-{1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

C23H21F7N4O3 (534.15018)


   

Rocepafant

9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide

C26H23ClN6OS2 (534.1063218)


C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

   

Ruberythric acid

1-hydroxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione

C25H26O13 (534.1373346)


   

Sulfosuccinimidyl 6-(biotinamido)hexanoate

N-{6-[(2,5-dioxo-3-sulphopyrrolidin-1-yl)oxy]-6-oxohexyl}-5-{2-hydroxy-1H,3ah,4H,6H,6ah-thieno[3,4-D]imidazol-6-yl}pentanimidic acid

C20H30N4O9S2 (534.1454130000001)


   

Kaempferol 3-O-(6-malonyl-glucoside)

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

C24H22O14 (534.1009512)


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)

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

C24H22O14 (534.1009512)


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

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid

C24H22O14 (534.1009512)


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

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one

C25H26O13 (534.1373346)


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)

3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)


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

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-6-((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

C25H26O13 (534.1373346)


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

5,7,4-Trihydroxyflavone 6-C-xylopyranoside-8-C-arabinopyranoside

C25H26O13 (534.1373346)


   
   
   

Rhamnazin 3-(6-acetylglucoside)

3,5,4-Trihydroxy-7,3-dimethoxyflavone 3- (6"-acetylglucoside)

C25H26O13 (534.1373346)


   

3,5,7,3,4-Pentahydroxy-6-prenylflavanone 7-glucoside

3,5,7,3,4-Pentahydroxy-6-prenylflavanone 7-glucoside

C26H30O12 (534.173718)


   

Luteolin 7- (2'-glucuronosyllactate)

5,7,3,4-Tetrahydroxyflavone 7- (2"-glucuronosyllactate)

C24H22O14 (534.1009512)


   

Phellatin

7- (beta-D-Glucopyranosyloxy) -3,5-dihydroxy-6- (3-hydroxy-3-methylbutyl) -2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H30O12 (534.173718)


   

5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide

5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide

C24H22O14 (534.1009512)


   

Parthenosin

2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid butyl ester

C25H26O13 (534.1373346)


   
   

3)-xyloside

5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1-

C26H30O12 (534.173718)


   

Quercetin 3-(4-malonylrhamnoside)

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

C24H22O14 (534.1009512)


   

Amurensin

3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone

C26H30O12 (534.173718)


   

Okanin 4-O-(4,6-di-O-acetylglucoside)

3,4,2,3,4-Pentahydroxychalcone 4-O- (4",6"-di-O-acetylglucoside)

C25H26O13 (534.1373346)


   
   

Scutellarein 7-(6-malonylglucoside)

Scutellarein 7-(6-malonylglucoside)

C24H22O14 (534.1009512)


   

Kaempferol 3-(6-malonylgalactoside)

3,5,7,4-Tetrahydroxyflavone 3- (6"-malonylgalactoside)

C24H22O14 (534.1009512)


   

Luteolin 5-(6-malonylglucoside)

5,7,3,4-Tetrahydroxyflavone 5- (6"-malonylglucoside)

C24H22O14 (534.1009512)


   

4)-galactoside

3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl- (1->4) -galactoside

C26H30O12 (534.173718)


   

Orobol 7-O-(6-malonylglucoside)

5,7,3,4-Tetrahydroxyisoflavone 7-O- (6"-malonylglucoside)

C24H22O14 (534.1009512)


   

6,9-Dihydroxy-2,310-trimethoxy-6a,12a-didehydrorotenone 9-O-glucoside

6,9-Dihydroxy-2,310-trimethoxy-6a,12a-didehydrorotenone 9-O-glucoside

C25H26O13 (534.1373346)


   

Syringin-4-O-beta-glucoside

Syringin-4-O-beta-glucoside

C23H34O14 (534.1948464)


   
   
   

6,8-Di-C-alpha-L-arabinopyranosylapigenin

6,8-Di-C-alpha-L-arabinopyranosylapigenin

C25H26O13 (534.1373346)


   

6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin

5,7,4-Trihydroxyflavone 6-C-alpha-L-arabinopyranoside-8-C-beta-L-arabinopyranoside

C25H26O13 (534.1373346)


   

6-O-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin

5,7,4-Trihydroxyflavone 6-O-beta-L-arabinopyranoside-8-C-alpha-L-arabinopyranoside

C25H26O13 (534.1373346)


   

6,8-Di-C-beta-D-arabinopyranosylapigenin

5,7,4-Trihydroxyflavone 6,8-di-C-beta-D-arabinopyranoside

C25H26O13 (534.1373346)


   

5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl- (1->3) -xyloside

5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl- (1->3) -xyloside

C26H30O12 (534.173718)


   

6-Malonylastragalin

2- (4-Hydroxyphenyl) -3- [ [ 6-O- (3-hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -5-hydroxy-7-hydroxy-4H-1-benzopyran-4-one

C24H22O14 (534.1009512)


   
   

Apigenin C-pentosyl-C-pentoside

Apigenin C-pentosyl-C-pentoside

C25H26O13 (534.1373346)


   

Malvidin 3-(6-acetylglucoside)

Malvidin 3-(6-acetylglucoside)

C25H26O13 (534.1373346)


   

Cyanidin 3-(6-malonylglucoside)

Cyanidin 3-(6-malonylglucoside)

C24H22O14 (534.1009512)


   

epiphyllic acid-7-O-beta-glucoside-10-methyl ester

epiphyllic acid-7-O-beta-glucoside-10-methyl ester

C25H26O13 (534.1373346)


   

2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alchohol|2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alcohol|eryciboside G

2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alchohol|2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alcohol|eryciboside G

C23H34O14 (534.1948464)


   

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

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

C25H26O13 (534.1373346)


   

apigenin-7-O-beta-D-apiofuranosyl-(1->2)-beta-D-apiofuranoside

apigenin-7-O-beta-D-apiofuranosyl-(1->2)-beta-D-apiofuranoside

C25H26O13 (534.1373346)


   

(+)-(6S,8S,7S)-discorhabdine K trifluoroacetate

(+)-(6S,8S,7S)-discorhabdine K trifluoroacetate

C25H22N6O4S2 (534.1143892)


   
   
   

Luteolin 7-(2-glucuronosyllactate)

Luteolin 7-(2-glucuronosyllactate)

C24H22O14 (534.1009512)


   

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

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

C25H26O13 (534.1373346)


   

Rocaglamide derivative 9

Rocaglamide derivative 9

C29H26O10 (534.1525896)


   
   

1-O-[(E)-3,4-dihydroxy-5-methoxycinnamoyl]gentiobiose

1-O-[(E)-3,4-dihydroxy-5-methoxycinnamoyl]gentiobiose

C22H30O15 (534.158463)


   
   

kunzeaphlogin A|lysidiside C

kunzeaphlogin A|lysidiside C

C23H34O14 (534.1948464)


   

6-O-Malonyl-Trifolin

6-O-Malonyl-Trifolin

C24H22O14 (534.1009512)


   

deacetyllittoraloin

deacetyllittoraloin

C26H30O12 (534.173718)


   

2,5-dicaffeoylaltraric acid

2,5-dicaffeoylaltraric acid

C24H22O14 (534.1009512)


   

5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside

5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside

C26H30O12 (534.173718)


   
   

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

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

C25H26O13 (534.1373346)


   
   

4,5-di-O-(4-hydroxy-3,5-methoxy-benzoyl)-shikimic acid

4,5-di-O-(4-hydroxy-3,5-methoxy-benzoyl)-shikimic acid

C25H26O13 (534.1373346)


   

7-hydroxy-3,5,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside

7-hydroxy-3,5,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside

C25H26O13 (534.1373346)


   

luteolin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>

luteolin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>

C24H22O14 (534.1009512)


   

salviaflaside methyl ester

salviaflaside methyl ester

C26H30O12 (534.173718)


   

7-hydroxy-5,6,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside

7-hydroxy-5,6,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside

C25H26O13 (534.1373346)


   

2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-propenoic acid 4-O-beta-D-glucopyranoside|aegineoside

2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-propenoic acid 4-O-beta-D-glucopyranoside|aegineoside

C26H30O12 (534.173718)


   

2-(3-methylbutyryl)phloroglucinol-4,6-di-C-beta-D-glucopyranoside

2-(3-methylbutyryl)phloroglucinol-4,6-di-C-beta-D-glucopyranoside

C23H34O14 (534.1948464)


   

2,5-dihydroxy-4-methoxyphenanthrene 2-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside|denneanoside E

2,5-dihydroxy-4-methoxyphenanthrene 2-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside|denneanoside E

C26H30O12 (534.173718)


   

3,4-dicaffeoylglucaric acid

3,4-dicaffeoylglucaric acid

C24H22O14 (534.1009512)


   

marylaurecinoside B

marylaurecinoside B

C26H30O12 (534.173718)


   

(S(a),6S,7S,8S)-6-[(benzoyl)oxy]-6,7,8,9,9,18,18-heptahydro-1,2,3,14-tetramethoxy-8-methyl-spiro[dibenzo[a,c]cyclooctene-7,17-oxirane]|schisandrin A1|schisphenlignan D

(S(a),6S,7S,8S)-6-[(benzoyl)oxy]-6,7,8,9,9,18,18-heptahydro-1,2,3,14-tetramethoxy-8-methyl-spiro[dibenzo[a,c]cyclooctene-7,17-oxirane]|schisandrin A1|schisphenlignan D

C30H30O9 (534.188973)


   

bergenin 11-O-(E)-sinapate

bergenin 11-O-(E)-sinapate

C25H26O13 (534.1373346)


   

(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

(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)


   

4-O-(beta-D-Arabinopyranosl-beta-D-galactopyranoside)- 3,4-Dihydroxychalcone

4-O-(beta-D-Arabinopyranosl-beta-D-galactopyranoside)- 3,4-Dihydroxychalcone

C26H30O12 (534.173718)


   
   
   

genipin 1-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside

genipin 1-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside

C23H34O14 (534.1948464)


   

6-O-p-coumaroylgeniposide|6-O-trans-p-coumaroylgeniposide

6-O-p-coumaroylgeniposide|6-O-trans-p-coumaroylgeniposide

C26H30O12 (534.173718)


   

Me glycoside,2,3-O-isopropylidene,tri-Ac,Me ester-4-O-beta-D-Glucopyranuronosyl-L-rhamnose

Me glycoside,2,3-O-isopropylidene,tri-Ac,Me ester-4-O-beta-D-Glucopyranuronosyl-L-rhamnose

C23H34O14 (534.1948464)


   

Hexa-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose|Hexa-Ac-beta-Pyranose-Xylobiose

Hexa-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose|Hexa-Ac-beta-Pyranose-Xylobiose

C22H30O15 (534.158463)


   

5,3,4-trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4-beta-D-glucuronide methyl ester

5,3,4-trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4-beta-D-glucuronide methyl ester

C24H22O14 (534.1009512)


   

6-vanilloylpediglucoside

6-vanilloylpediglucoside

C26H30O12 (534.173718)


   

2, 4, 5, 7, 8, 9-Hexa-Ac, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI

2, 4, 5, 7, 8, 9-Hexa-Ac, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI

C22H30O15 (534.158463)


   
   

isopsoralic acid-(4<--1)-O-beta-D-glucopyranoside acetate

isopsoralic acid-(4<--1)-O-beta-D-glucopyranoside acetate

C25H26O13 (534.1373346)


   
   

6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin

6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin

C25H26O13 (534.1373346)


   
   

Me glycoside,penta-Ac-4-O-alpha-L-Fucopyranosyl-L-fucose

Me glycoside,penta-Ac-4-O-alpha-L-Fucopyranosyl-L-fucose

C23H34O14 (534.1948464)


   

2,4-dicaffeoylaltraric acid

2,4-dicaffeoylaltraric acid

C24H22O14 (534.1009512)


   

Cyanidin 3-(3-malonylglucoside)

Cyanidin 3-(3-malonylglucoside)

C24H22O14 (534.1009512)


   

3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside

3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside

C26H30O12 (534.173718)


   
   

Luteolin O-malonylhexoside

Luteolin O-malonylhexoside

C24H22O14 (534.1009512)


   

Apigenin-6-C-β-D-xylopyranosyl-8-C-α-L-arabinopyranoside

Apigenin-6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranoside

C25H26O13 (534.1373346)


   

Apigenin6-C-α-L-arabinopyranosyl-8-C-β-D-xylopyranoside

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-6-((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

C25H26O13 (534.1373346)


Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside is a natural product found in Viola philippica with data available.

   

Aprepitant

3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one

C23H21F7N4O3 (534.15018)


A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Aprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd of 86 pM.

   

Conivaptan HCl

Conivaptan HCl (Vaprisol)

C32H27ClN4O2 (534.1822432)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist D045283 - Natriuretic Agents > D065092 - Antidiuretic Hormone Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

NCGC00384563-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C25H26O13 (534.1373346)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C25H26O13 (534.1373346)


   

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

NCGC00381078-01!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

C25H26O13 (534.1373346)


   

C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester

NCGC00380892-01_C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester

C26H30O12 (534.173718)


   

C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside

NCGC00385685-01_C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside

C23H34O14 (534.1948464)


   

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

NCGC00380871-01_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

C22H27ClO13 (534.1140122)


   

(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C23H34O14 (534.1948464)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C23H34O14 (534.1948464)


   
   

Flavone base + 4O, O-MalonylHex

Flavone base + 4O, O-MalonylHex

C24H22O14 (534.1009512)


Annotation level-3

   

Flavone base + 3O, C-Pen, C-Pen

Flavone base + 3O, C-Pen, C-Pen

C25H26O13 (534.1373346)


Annotation level-3

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]

NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]

C25H26O13 (534.1373346)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846878]

NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846878]

C25H26O13 (534.1373346)


   

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]

NCGC00381078-01!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]

C25H26O13 (534.1373346)


   

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]

NCGC00381078-01!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]

C25H26O13 (534.1373346)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol_major

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol_major

C23H34O14 (534.1948464)


   

(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major

(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major

C23H34O14 (534.1948464)


   

Cys Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O6S2 (534.160668)


   

Cys Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Cys Glu Phe His

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Cys Glu His Phe

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Cys Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O6S2 (534.160668)


   

Cys Phe Glu His

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Cys Phe His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

Cys Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Cys His Glu Phe

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Cys His Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

Cys Ser Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Cys Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Cys Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Cys Tyr Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Cys Tyr Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C24H30N4O8S (534.178426)


   

Glu Cys Phe His

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Glu Cys His Phe

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Glu Glu Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

C20H30N4O13 (534.180929)


   

Glu Phe Cys His

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Glu Phe His Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Glu His Cys Phe

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Glu His Phe Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Phe Cys Cys Tyr

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O6S2 (534.160668)


   

Phe Cys Glu His

(4S)-4-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Phe Cys His Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

Phe Cys Tyr Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Phe Glu Cys His

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Phe Glu His Cys

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Phe His Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

Phe His Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Phe Tyr Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

His Cys Glu Phe

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

His Cys Phe Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

His Glu Cys Phe

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

His Glu Phe Cys

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

His Phe Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C23H30N6O7S (534.189659)


   

His Phe Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H30N6O7S (534.189659)


   

Ser Cys Tyr Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Ser Tyr Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Ser Tyr Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C24H30N4O8S (534.178426)


   

Tyr Cys Cys Phe

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Tyr Cys Phe Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Tyr Cys Ser Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Tyr Cys Tyr Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C24H30N4O8S (534.178426)


   

Tyr Phe Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C24H30N4O6S2 (534.160668)


   

Tyr Ser Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C24H30N4O8S (534.178426)


   

Tyr Ser Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C24H30N4O8S (534.178426)


   

Tyr Tyr Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C24H30N4O8S (534.178426)


   

Tyr Tyr Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C24H30N4O8S (534.178426)


   

Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)

Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)

C24H22O14 (534.1009512)


   

Kaempferol 3-(6-malonylglucoside)

Kaempferol 3-(6-malonylglucoside)

C24H22O14 (534.1009512)


   

Cyanidin-3-(6-malonylglucoside)

Cyanidin 3-O-(6-O-malonyl-β-D-glucoside)

C24H22O14 (534.1009512)


   

6''-Malonylastragalin

3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)


   

4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid

C24H22O14 (534.1009512)


   

3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide

6-{[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O14 (534.1009512)


   

2'-Hydroxygenistein 7-(6''-malonylglucoside)

3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

C24H22O14 (534.1009512)


   

Isosyringinoside

2-{2,6-dimethoxy-4-[(1Z)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-1-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C23H34O14 (534.1948464)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

C25H26O13 (534.1373346)


   

Tarenninoside E

6-O-(E)-cinnamoylixoside

C25H26O13 (534.1373346)


   

Delamanid

Delamanid

C25H25F3N4O6 (534.1726106)


J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   
   
   

(1R,2R,3R)-Aprepitant

(1R,2R,3R)-Aprepitant

C23H21F7N4O3 (534.15018)


   
   
   
   

bis(2-diphenylphosphinoethyl)phenylphosphine

bis(2-diphenylphosphinoethyl)phenylphosphine

C34H33P3 (534.1795008)


   

2-(biphenyl-4-yl)-4,6-diphenylpyrylium perchlorate

2-(biphenyl-4-yl)-4,6-diphenylpyrylium perchlorate

C33H23ClO5 (534.1233938)


   

sulphosuccinimidyl-6-(biotinamido)hexanoate

sulphosuccinimidyl-6-(biotinamido)hexanoate

C20H30N4O9S2 (534.1454130000001)


   

Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium

Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium

C30H22F4N2Ti (534.1198489999999)


   

(1S,2S,3S)-Aprepitant

(1S,2S,3S)-Aprepitant

C23H21F7N4O3 (534.15018)


   

Trisiloxane, 3,3-(1,2-ethanediyl)bis[3-[(diMethylsilyl)oxy]-1,1,5,5-tetraMethyl-

Trisiloxane, 3,3-(1,2-ethanediyl)bis[3-[(diMethylsilyl)oxy]-1,1,5,5-tetraMethyl-

C14H46O6Si8 (534.1448456)


   

Phenylmethyl 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranoside monosodium salt

Phenylmethyl 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranoside monosodium salt

C19H27NaO14S (534.1019162)


   

(H-Cys-Phe-OH)2 (Disulfide bond)

(H-Cys-Phe-OH)2 (Disulfide bond)

C24H30N4O6S2 (534.160668)


   

Hexaphenyldisiloxane

Hexaphenyldisiloxane

C36H30OSi2 (534.183509)


   
   

Ceftobiprole

Ceftobiprole

C20H22N8O6S2 (534.1103672)


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

Praliciguat

C21H14F8N6O2 (534.105044)


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

3,3-Dimethoxy-4-(beta-D-glucopyranuronosyloxy)-5-hydroxy-6,7-(methylenedioxy)flavone

C24H22O14 (534.1009512)


   

1-Benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea

1-Benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea

C30H22ClF3N2O2 (534.1321818)


   

5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

C23H21F7N4O3 (534.15018)


   

Clofazimine hydrogen-sulfate

Clofazimine hydrogen-sulfate

C27H23ClN4O4S (534.1128468)


   
   

kaempferol 3-O-beta-D-(6-O-malonyl)-glucoside

kaempferol 3-O-beta-D-(6-O-malonyl)-glucoside

C24H22O14 (534.1009512)


   

(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

(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

C20H22N8O6S2 (534.1103672)


   

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

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

C24H22O14 (534.1009512)


   

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

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

C20H22N8O6S2 (534.1103672)


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

4-[3,5-Bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

C32H23ClN2O4 (534.1346268)


   

1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

C23H28BrClN6S (534.0967938)


   

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

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

C23H27BrN4O6 (534.1113862)


   

Ethyl 2-[4-[(7-chloro-4-quinolyl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate

Ethyl 2-[4-[(7-chloro-4-quinolyl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate

C27H27ClN6O4 (534.1782212)


   

N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin

6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin

C25H26O13 (534.1373346)


   

3,5-Dicaffeoylaltraric acid

3,5-Dicaffeoylaltraric acid

C24H22O14 (534.1009512)


   

N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[(1S,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

C28H30N4O5S (534.193681)


   

N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

N-[(1R,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

C29H27FN2O7 (534.1802204)


   

sodium[alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll]

sodium[alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll]

C20H31NaO15 (534.1560576)


   

ustilaginoidin I

ustilaginoidin I

C28H22O11 (534.1162062)


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.

   

6-[2-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H30O12 (534.173718)


   

6-[(8,11-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[(8,11-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H30O12 (534.173718)


   

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,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C25H26O13 (534.1373346)


   

6-[4-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H30O12 (534.173718)


   

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-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C25H26O13 (534.1373346)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S)-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

C25H26O13 (534.1373346)


   

2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside

2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside

C23H34O14 (534.1948464)


   

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-[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

C25H26O13 (534.1373346)


   

Luteolin 7-O-(6-malonylglucoside)

Luteolin 7-O-(6-malonylglucoside)

C24H22O14 (534.1009512)


   

3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide

3,5-Dihydroxy-3,4-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide

C24H22O14 (534.1009512)


   

4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide

4,5-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone 4-glucuronide

C24H22O14 (534.1009512)


   

2-Hydroxygenistein 7-(6-malonylglucoside)

2-Hydroxygenistein 7-(6-malonylglucoside)

C24H22O14 (534.1009512)


   

Cercosporin from Cercospora hayii

Cercosporin from Cercospora hayii

C29H26O10 (534.1525896)


   

6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)apigenin

6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)apigenin

C25H26O13 (534.1373346)


A flavone C-glycoside that consists of apigenin carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively

   

Luteolin 7-O-(6''-malonylglucoside)

Luteolin 7-O-(6''-malonylglucoside)

C24H22O14 (534.1009512)


   
   

BMS-986188

BMS-986188

C30H31BrO4 (534.1405586)


BMS-986188 is a selective positive allosteric modulator of δ-opioid receptor with an EC50 of 0.05 μM[1].

   

UPGL00004

UPGL00004

C25H26N8O2S2 (534.1620056)


UPGL00004 is a potent allosteric glutaminase C (GAC) inhibitor (IC50=29 nM; Kd=27 nM). UPGL00004 strongly inhibits the proliferation of highly aggressive triple-negative breast cancer cell lines[1].

   

8-[(1r,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl]oxy}-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one

8-[(1r,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl]oxy}-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one

C30H30O9 (534.188973)


   

{3,4,5-trihydroxy-6-[3-(3-oxo-1h-2-benzofuran-1-yl)propoxy]oxan-2-yl}methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate

{3,4,5-trihydroxy-6-[3-(3-oxo-1h-2-benzofuran-1-yl)propoxy]oxan-2-yl}methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate

C26H30O12 (534.173718)


   

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

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

C25H26O13 (534.1373346)


   

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl 2-(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)propanoate

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl 2-(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)propanoate

C24H22O14 (534.1009512)


   

methyl (2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate

methyl (2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate

C30H30O9 (534.188973)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C25H26O13 (534.1373346)


   

2-(benzoyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl benzoate

2-(benzoyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl benzoate

C32H22O8 (534.1314612)


   

3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid

3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid

C25H26O13 (534.1373346)


   

[(9s)-4,5,9-trihydroxy-10-oxo-9-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2r,3s)-3-hydroxy-2-methylbutanoate

[(9s)-4,5,9-trihydroxy-10-oxo-9-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2r,3s)-3-hydroxy-2-methylbutanoate

C26H30O12 (534.173718)


   

(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

(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

C23H23ClN4O9 (534.1153498)


   

2-(1-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}hexyl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione

2-(1-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}hexyl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione

C26H30O12 (534.173718)


   

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

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

C24H22O14 (534.1009512)


   

9,17-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaene-7,19-dione

9,17-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaene-7,19-dione

C29H26O10 (534.1525896)


   

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

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

C25H26O13 (534.1373346)


   

2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

C25H26O13 (534.1373346)


   

7,19-dihydroxy-5,21-bis[(2s)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione

7,19-dihydroxy-5,21-bis[(2s)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione

C29H26O10 (534.1525896)


   

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

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

3-(4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid

C25H26O13 (534.1373346)