Exact Mass: 508.11213480000004

Exact Mass Matches: 508.11213480000004

Found 231 metabolites which its exact mass value is equals to given mass value 508.11213480000004, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Limocitrin 3-glucoside

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C23H24O13 (508.1216854)


Limocitrin 3-glucoside is found in citrus. Limocitrin 3-glucoside is a constituent of Citrus species fruit peels Constituent of Citrus subspecies fruit peels. Limocitrin 3-glucoside is found in lemon and citrus.

   

1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran

10,12,13-Tris(acetyloxy)-4-hydroxy-11-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-yl acetic acid

C26H20O11 (508.100557)


1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is found in mushrooms. 1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is a constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported) Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). 1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is found in mushrooms.

   

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H20O14 (508.085302)


   

1,4-Dimethoxyglucobrassicin

{[(e)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C18H24N2O11S2 (508.0821474)


1,4-Dimethoxyglucobrassicin is found in brassicas. 1,4-Dimethoxyglucobrassicin is isolated from the roots of Barbarea vulgaris ssp. arcuata. Isolated from the roots of Barbarea vulgaris sspecies arcuata. 1,4-Dimethoxyglucobrassicin is found in brassicas.

   

Spinacetin 3-glucoside

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C23H24O13 (508.1216854)


Spinacetin 3-glucoside is found in herbs and spices. Spinacetin 3-glucoside is isolated from Artemisia absinthium (wormwood). Isolated from Artemisia absinthium (wormwood). Spinacetin 3-glucoside is found in herbs and spices.

   

1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran

10,12,13-Tris(acetyloxy)-5-hydroxy-11-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetic acid

C26H20O11 (508.100557)


1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is found in mushrooms. 1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is a constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported) Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). 1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran is found in mushrooms.

   

6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H20O14 (508.085302)


   

BL III

3,4-Bis(acetyloxy)-5-[4-(acetyloxy)phenyl]-11,12-dihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-6-yl acetic acid

C26H20O11 (508.100557)


BL III is found in mushrooms. BL III is a constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). BL III is found in mushrooms.

   

4',8-Dimethylgossypetin 3-glucoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C23H24O13 (508.1216854)


4,8-Dimethylgossypetin 3-glucoside is found in citrus. 4,8-Dimethylgossypetin 3-glucoside is isolated from Citrus species. Isolated from Citrus subspecies 4,8-Dimethylgossypetin 3-glucoside is found in citrus.

   

Rheidin B

9-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid

C30H20O8 (508.115812)


Rheidin B is found in green vegetables. Rheidin B is isolated from rhubarb roots. Isolated from rhubarb roots. Rheidin B is found in green vegetables.

   

Clomocycline

(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

C23H25ClN2O9 (508.12485100000004)


Clomocycline is only found in individuals that have used or taken this drug. It is a tetracycline antibiotic.Clomocycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Clomocycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

   

3,4,5-Trihydroxy-6-(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(6-hydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl)oxyoxane-2-carboxylic acid

C26H20O11 (508.100557)


D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

   

2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine

2-(diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C27H29IN2 (508.1375384)


   

trans-zeatin riboside diphosphate

{[(3,4-dihydroxy-5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolan-2-yl)methyl phosphonato]oxy}phosphonic acid

C15H20N5O11P2 (508.06345300000004)


Trans-zeatin riboside diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Trans-zeatin riboside diphosphate can be found in a number of food items such as rice, carrot, towel gourd, and chinese bayberry, which makes trans-zeatin riboside diphosphate a potential biomarker for the consumption of these food products.

   

Syringetin-3-O-glucoside

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C23H24O13 (508.1216854)


Syringetin-3-O-glucoside is a glycoside and a member of flavonoids. Syringetin-3-o-glucoside is a natural product found in Myrsine seguinii, Vitis vinifera, and other organisms with data available. Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST.

   
   

axillaroside

5,7,3,4-Tetrahydroxy-3,6-dimethoxyflavone 7-glucuronide

C23H24O13 (508.1216854)


   

Eupatolitin 3-galactoside

3,5,3,4-Tetrahydroxy-6,7-dimethoxyflavone 3-galactoside

C23H24O13 (508.1216854)


   

5,8,3,4-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside

5,8,3,4-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside

C23H24O13 (508.1216854)


   

Spinacetin 7-glucoside

3,5,7,4-Tetrahydroxy-6,3-dimethoxyflavone 7-glucoside

C23H24O13 (508.1216854)


   

Tomentin 4-glucoside

5,6,3,4-Tetrahydroxy-3,7-dimethoxyflavone 4-glucoside

C23H24O13 (508.1216854)


   

Patuletin 3-glucuronide

Patuletin 3-glucuronide

C22H20O14 (508.085302)


   

Myricetin 3,4-dimethyl ether 3-glucoside

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

C23H24O13 (508.1216854)


   
   
   

Gossypetin 3,8-dimethyl ether 5-glucoside

2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one

C23H24O13 (508.1216854)


   
   

Limocitrin 7-glucoside

3,5,7,4-Tetrahydroxy-8,3-dimethoxyflavon 7-glucoside

C23H24O13 (508.1216854)


   
   

Gossypetin 7,4-dimethyl ether 8-glucoside

Gossypetin 7,4-dimethyl ether 8-glucoside

C23H24O13 (508.1216854)


   
   

5,7,3,6-Tetrahydroxy-8,2-dimethoxyflavone 6-glucoside

5,7,3,6-Tetrahydroxy-8,2-dimethoxyflavone 6-glucoside

C23H24O13 (508.1216854)


   

Pleurostimin 7-methyl ether 6-glucoside

5,6,3,4-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside

C23H24O13 (508.1216854)


   

Tomentin 6-glucoside

Tomentin 6-glucoside

C23H24O13 (508.1216854)


   

Myricetin 7,4-dimethyl ether 3-galactoside

3,5,3,5-Tetrahydroxy-7,4-dimethoxyflavone 3-galactoside

C23H24O13 (508.1216854)


   

Moghanin A

6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2- (4-hydroxy-3,5-dimethoxyphenyl) -4H-1-benzopyran-4-one

C23H24O13 (508.1216854)


   
   
   
   

Gossypetin 7,8-dimethyl ether 4-glucoside

3,5,3,4-Tetrahydroxy-7,8-dimethoxyflavone 4-glucoside

C23H24O13 (508.1216854)


   

5,7,3,4-Tetrahydroxy-6,8-dimethoxyflavone 7-glucoside

5,7,3,4-Tetrahydroxy-6,8-dimethoxyflavone 7-glucoside

C23H24O13 (508.1216854)


   

Quercetagetin 3,3-dimethyl ether 7-glucoside

5,6,7,4-Tetrahydroxy-3,3-dimethoxyflavone 7-glucoside

C23H24O13 (508.1216854)


   

Gossypetin 7,8-dimethyl ether 3-glucoside

2- (3,4-Dihydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one

C23H24O13 (508.1216854)


   

Hibiscetin 8,3-dimethyl ether 3-rhamnoside

3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one

C23H24O13 (508.1216854)


   

Quercetagetin 7,3-dimethyl ether 6-glucoside

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

C23H24O13 (508.1216854)


   

8,3,5-Trihydroxy-7,4-dimethoxyisoflavone 6-O-glucoside

8,3,5-Trihydroxy-7,4-dimethoxyisoflavone 6-O-glucoside

C23H24O13 (508.1216854)


   

Eupatolitin 3-glucoside

Eupatolitin 3-glucoside

C23H24O13 (508.1216854)


   

Syringetin 3-glucoside

Syringetin-3-O-glucoside

C23H24O13 (508.1216854)


   

Laricitrin 3-glucuronide

Laricitrin 3-glucuronide

C22H20O14 (508.085302)


   

2'-Acetylcallunin

3,5,7,8,4-Pentahydroxyflavanone 8- (2"-acetylglucoside)

C23H24O13 (508.1216854)


   

Limocitrin 3-galactoside

3,5,7,4-Tetrahydroxy-8,3-dimethoxyflavon 3-galactoside

C23H24O13 (508.1216854)


   

Spinacetin 3-glucoside

3,6-Dimethoxy-3- [ (beta-D-glucopyranosyl) oxy ] -4,5,7-trihydroxyflavone

C23H24O13 (508.1216854)


   

Syringetin 3-galactoside

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

C23H24O13 (508.1216854)


   

Tomentin 6-galactoside

5,6,3,4-Tetrahydroxy-3,7-dimethoxyflavone 6-galactoside

C23H24O13 (508.1216854)


   

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

C23H24O13 (508.1216854)


   
   

Limocitrin 4-O-beta-D-glucopyranoside

Limocitrin 4-O-beta-D-glucopyranoside

C23H24O13 (508.1216854)


   
   
   

1,2,3,4-tetrahydro-7,8-dihydroxy-4-oxonaphthalen-1-yl 6-O-[(3,4,5-trihydroxyphenyl)carbonyl]-beta-D-glucopyranoside

1,2,3,4-tetrahydro-7,8-dihydroxy-4-oxonaphthalen-1-yl 6-O-[(3,4,5-trihydroxyphenyl)carbonyl]-beta-D-glucopyranoside

C23H24O13 (508.1216854)


   

emodin dianthrone

emodin dianthrone

C30H20O8 (508.115812)


   
   

6-O-cis-p-Coumaroylantirrinoside

6-O-cis-p-Coumaroylantirrinoside

C24H28O12 (508.1580688)


   

dendrochrysanene

dendrochrysanene

C30H20O8 (508.115812)


   

2,2-Dimethyl-4,4,5,5-tetrahydroxy-7-methoxy-9,9-bianthracene-10,10(9H,9H)-dione

2,2-Dimethyl-4,4,5,5-tetrahydroxy-7-methoxy-9,9-bianthracene-10,10(9H,9H)-dione

C31H24O7 (508.1521954)


   
   

hedycoryside B|methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7{[(4-hydroxybenzoyl)oxy]methyl}cyclopenta[c]pyran-4-carboxylate

hedycoryside B|methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7{[(4-hydroxybenzoyl)oxy]methyl}cyclopenta[c]pyran-4-carboxylate

C24H28O12 (508.1580688)


   
   

mearnsetin 3-O-beta-D-glucuronide|mearsetin-3-O-beta-glucuronopyranoside

mearnsetin 3-O-beta-D-glucuronide|mearsetin-3-O-beta-glucuronopyranoside

C22H20O14 (508.085302)


   

10-O-caffeoylaucubin

10-O-caffeoylaucubin

C24H28O12 (508.1580688)


   

Limocitrin O-hexoside

Limocitrin O-hexoside

C23H24O13 (508.1216854)


   
   
   

10-Benzoyl galioside

10-Benzoyl galioside

C24H28O12 (508.1580688)


   

(-)-(5S,6S)-5,6-dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7H-benzo[c]xanthen-7-one

(-)-(5S,6S)-5,6-dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7H-benzo[c]xanthen-7-one

C27H24O10 (508.13694039999996)


   

7-O-alpha-D-glucopyranosyl-3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one

7-O-alpha-D-glucopyranosyl-3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one

C23H24O13 (508.1216854)


   
   
   

4-O-(3,5-di-O-methylgalloyl)bergenin|bergecin A

4-O-(3,5-di-O-methylgalloyl)bergenin|bergecin A

C23H24O13 (508.1216854)


   

10-O-benzoyl scandoside methyl ester

10-O-benzoyl scandoside methyl ester

C24H28O12 (508.1580688)


   

marylaurencinoside E

marylaurencinoside E

C24H28O12 (508.1580688)


   

(2R,3R)-3,5,7,3,4-pentahydroxyflavanone 7-(2-O-acetyl-beta-D-galactopyranoside)|taxifolin 7-(2-O-acetyl-beta-D-galactopyranoside)

(2R,3R)-3,5,7,3,4-pentahydroxyflavanone 7-(2-O-acetyl-beta-D-galactopyranoside)|taxifolin 7-(2-O-acetyl-beta-D-galactopyranoside)

C23H24O13 (508.1216854)


   

2,6-O-acetylsalicortin

2,6-O-acetylsalicortin

C24H28O12 (508.1580688)


   
   
   

2,6-di(4,5-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane-1-hydroxy-5-O-rhamnopyranoside

2,6-di(4,5-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane-1-hydroxy-5-O-rhamnopyranoside

C24H28O12 (508.1580688)


   
   

Quercetin-3-O-(6-acetyl)-??-D-galactopyranoside

Quercetin-3-O-(6-acetyl)-??-D-galactopyranoside

C23H24O13 (508.1216854)


   

4alpha,5,8-trihydroxy-alpha-tetralone 5-O-beta-D-[6-O-(3,4,5-trihydroxybenzoyl)]glucopyranoside

4alpha,5,8-trihydroxy-alpha-tetralone 5-O-beta-D-[6-O-(3,4,5-trihydroxybenzoyl)]glucopyranoside

C23H24O13 (508.1216854)


   

12,15-Diacetyl-13??(21)-epoxyeurycomanone

12,15-Diacetyl-13??(21)-epoxyeurycomanone

C24H28O12 (508.1580688)


   

quercetagenin 3,4-dimethyl ether 7-O-beta-D-glucopyranoside

quercetagenin 3,4-dimethyl ether 7-O-beta-D-glucopyranoside

C23H24O13 (508.1216854)


   

2,2-Dimethyl-4,4,5,5-tetrahydroxy-6-methoxy-9,9-bianthracene-10,10(9H,9H)-dione

2,2-Dimethyl-4,4,5,5-tetrahydroxy-6-methoxy-9,9-bianthracene-10,10(9H,9H)-dione

C31H24O7 (508.1521954)


   

tricin 7-O-beta-D-glucoside

tricin 7-O-beta-D-glucoside

C23H24O13 (508.1216854)


   
   

(2S)-dihydrotricin 4-O-(beta-6-methoxy-4-oxo-chroman-3-yloxyl) ether|calquiquelignan F

(2S)-dihydrotricin 4-O-(beta-6-methoxy-4-oxo-chroman-3-yloxyl) ether|calquiquelignan F

C27H24O10 (508.13694039999996)


   

ceplignan-4-O-beta-D-glucoside

ceplignan-4-O-beta-D-glucoside

C24H28O12 (508.1580688)


   
   
   

2-O-beta-D-glucopyranosyl-5,7,5-trihydroxy-3,4,-dimethoxyflavone

2-O-beta-D-glucopyranosyl-5,7,5-trihydroxy-3,4,-dimethoxyflavone

C23H24O13 (508.1216854)


   

Picroside IV

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O12 (508.1580688)


   

3-O-Glucosyllimocitrin

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C23H24O13 (508.1216854)


5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Sedum acre, Erica cinerea, and other organisms with data available.

   

syringetin-3-galactoside

Syringetin-3-O-galactoside

C23H24O13 (508.1216854)


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

   

[(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C23H24O13 (508.1216854)


   

C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)

NCGC00347822-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-

C24H28O12 (508.1580688)


   

C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)

NCGC00169336-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-

C24H28O12 (508.1580688)


   

Syringetin-3-O-galactoside

Syringetin-3-O-galactoside

C23H24O13 (508.1216854)


Annotation level-1

   
   

[(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000845446]

NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000845446]

C23H24O13 (508.1216854)


   

[(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

C23H24O13 (508.1216854)


   

Cys Cys Phe His

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

C21H28N6O5S2 (508.1562518)


   

Cys Cys His Phe

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

C21H28N6O5S2 (508.1562518)


   

Cys Glu Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Cys Phe Cys His

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

C21H28N6O5S2 (508.1562518)


   

Cys Phe His Cys

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

C21H28N6O5S2 (508.1562518)


   

Cys His Cys Phe

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

C21H28N6O5S2 (508.1562518)


   

Cys His Phe Cys

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

C21H28N6O5S2 (508.1562518)


   

Asp Asp Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H28N4O11S (508.14752180000005)


   

Asp Asp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Asp Glu Asp Met

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N4O11S (508.14752180000005)


   

Asp Glu Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Asp Met Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Asp Met Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Glu Cys Glu Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Glu Asp Asp Met

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N4O11S (508.14752180000005)


   

Glu Asp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Glu Glu Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Glu Glu Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H28N4O11S (508.14752180000005)


   

Glu Met Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Phe Cys Cys His

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

C21H28N6O5S2 (508.1562518)


   

Phe Cys His Cys

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

C21H28N6O5S2 (508.1562518)


   

Phe His Cys Cys

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

C21H28N6O5S2 (508.1562518)


   

His Cys Cys Phe

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

C21H28N6O5S2 (508.1562518)


   

His Cys Phe Cys

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

C21H28N6O5S2 (508.1562518)


   

His Phe Cys Cys

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

C21H28N6O5S2 (508.1562518)


   

Met Asp Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-carboxypropanamido]pentanedioic acid

C18H28N4O11S (508.14752180000005)


   

Met Asp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-carboxybutanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Met Glu Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-carboxypropanamido]butanedioic acid

C18H28N4O11S (508.14752180000005)


   

Fluorescein monoglucuronide

Fluorescein monoglucuronide

C26H20O11 (508.100557)


   
   

Limocitrin 3-glucoside

Limocitrin 3-glucoside

C23H24O13 (508.1216854)


   

clomocycline

(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

C23H25ClN2O9 (508.12485100000004)


Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

   

1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran

3,6,12-tris(acetyloxy)-11-hydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

C26H20O11 (508.100557)


   

1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran

3,6,11-tris(acetyloxy)-12-hydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

C26H20O11 (508.100557)


   

1,4-Dimethoxyglucobrassicin

{[(E)-[2-(1,4-dimethoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

C18H24N2O11S2 (508.0821474)


   

4',8-Dimethylgossypetin 3-glucoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C23H24O13 (508.1216854)


   

Reidin b

9-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid

C30H20O8 (508.115812)


   

BL III

3,6-bis(acetyloxy)-5-[4-(acetyloxy)phenyl]-11,12-dihydroxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate

C26H20O11 (508.100557)


   

Tarenninoside B

6-O-benzoylixoside

C23H24O13 (508.1216854)


   

2-Bromo-9,10-bis(2-naphthalenyl)anthracene

2-Bromo-9,10-bis(2-naphthalenyl)anthracene

C34H21Br (508.0826526)


   

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]acetamide

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]acetamide

C19H21BrN6O6 (508.0705866)


   
   

sodium [[3-anilino-9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl]amino]benzenesulphonate

sodium [[3-anilino-9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl]amino]benzenesulphonate

C26H17N2NaO6S (508.07049820000003)


   
   

1,1,2,2-Tetra(4-carboxylphenyl)ethylene

1,1,2,2-Tetra(4-carboxylphenyl)ethylene

C30H20O8 (508.115812)


   
   

4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4-ethyl-2,3,5-trifluoro-1,1:4,1-terphenyl

4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4-ethyl-2,3,5-trifluoro-1,1:4,1-terphenyl

C27H16F8O (508.10733419999997)


   

(6R,7R)-BENZHYDRYL 7-AMINO-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE

(6R,7R)-BENZHYDRYL 7-AMINO-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE

C24H24N6O5S (508.1528814)


   

2-Bromo-9,10-di(1-naphthyl)anthracene

2-Bromo-9,10-di(1-naphthyl)anthracene

C34H21Br (508.0826526)


   

Tivozanib Hydrochloride

Tivozanib Hydrochloride

C22H22Cl2N4O6 (508.0916332)


C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

mersalyl

mersalyl

C13H17HgNNaO6 (508.06598420000006)


C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BC - Mercurial diuretics C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D004791 - Enzyme Inhibitors

   

[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

C24H28O12 (508.1580688)


   

6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H20O14 (508.085302)


   

Syringetin 3-O-galactoside

Syringetin 3-O-galactoside

C23H24O13 (508.1216854)


   

eupatolitin 3-O-glucoside

eupatolitin 3-O-glucoside

C23H24O13 (508.1216854)


   

2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine

2-(diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C27H29IN2 (508.1375384)


   

(10Z)-1,3,8-trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9-anthrylidene)anthracen-9-one

(10Z)-1,3,8-trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9-anthrylidene)anthracen-9-one

C30H20O8 (508.115812)


   
   

[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-4-(beta-D-ribofuranosyl)aminobenzene 5-phosphate

[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-4-(beta-D-ribofuranosyl)aminobenzene 5-phosphate

C20H25N6O8P-2 (508.147142)


   

[[3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

[[3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C15H20N5O11P2-3 (508.06345300000004)


   

vandateroside I, (-)-

vandateroside I, (-)-

C24H28O12 (508.1580688)


A natural product found in Vanda teres.

   

4-amino-N-{(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide

4-amino-N-{(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide

C23H21BrN6O3 (508.0858416)


   

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

C21H21ClN4O5S2 (508.06418460000003)


   

5-[[[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester

5-[[[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester

C24H20ClF3N2O5 (508.10127760000006)


   

5-[[[5-(2-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester

5-[[[5-(2-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester

C24H20ClF3N2O5 (508.10127760000006)


   

2-[[4-(2-Thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester

2-[[4-(2-Thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester

C25H24N4O4S2 (508.1238904)


   

1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

C22H26BrFN4O4 (508.11213480000004)


   

1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

C22H26BrFN4O4 (508.11213480000004)


   

methyl 2-[(2R,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

methyl 2-[(2R,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

C23H25ClN2O7S (508.107093)


   

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

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

C24H23F3N2O7 (508.1457284)


   

2-[(2R,4aS,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2R,4aS,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

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

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

C24H23F3N2O7 (508.1457284)


   

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

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

C24H23F3N2O7 (508.1457284)


   

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

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

C24H23F3N2O7 (508.1457284)


   

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

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

C24H23F3N2O7 (508.1457284)


   

2-[(2S,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2S,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

2-[(2S,4aS,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2S,4aS,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside

C23H24O13 (508.1216854)


   

2-[(2R,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2R,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

2-[(2S,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

2-[(2S,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H25ClN2O7S (508.107093)


   

3,4,5-Trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

C22H20O14 (508.085302)


   

6-[2,3-Dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2,3-Dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C19H24O16 (508.1064304)


   

3,4,5-Trihydroxy-6-[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid

C22H20O14 (508.085302)


   

6-[2,3-Dihydroxy-5-({[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2,3-Dihydroxy-5-({[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C19H24O16 (508.1064304)


   

9-Ribosyl-trans-zeatin 5-diphosphate(3-)

9-Ribosyl-trans-zeatin 5-diphosphate(3-)

C15H20N5O11P2 (508.06345300000004)


A organophosphate oxoanion that is ADP(3-) substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group; major structure at pH 7.3.

   
   

4,8-Dimethylgossypetin 3-glucoside

4,8-Dimethylgossypetin 3-glucoside

C23H24O13 (508.1216854)


   
   

BMS-779788

BMS-779788

C28H29ClN2O3S (508.1587314000001)


BMS-779788 is a LXR partial agonist with IC50 values of 68 nM for LXRα and 14 nM for LXRβ.

   

(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl (2e)-3-(3-hydroxyphenyl)prop-2-enoate

(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl (2e)-3-(3-hydroxyphenyl)prop-2-enoate

C24H28O12 (508.1580688)


   

3,5-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7,8-dimethoxychromen-4-one

3,5-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7,8-dimethoxychromen-4-one

C23H24O13 (508.1216854)


   

(2r,3s)-3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

(2r,3s)-3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

C24H28O12 (508.1580688)


   

1,3,8-trihydroxy-10-(4-hydroxy-3-methoxyphenyl)-11-(hydroxymethyl)-7,9-dimethoxy-10,11-dihydro-5-oxatetraphen-12-one

1,3,8-trihydroxy-10-(4-hydroxy-3-methoxyphenyl)-11-(hydroxymethyl)-7,9-dimethoxy-10,11-dihydro-5-oxatetraphen-12-one

C27H24O10 (508.13694039999996)


   

3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C23H24O13 (508.1216854)


   

methyl (1s,4as,5r,7as)-7-[(benzoyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,5r,7as)-7-[(benzoyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

C24H28O12 (508.1580688)


   

(2s,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H20O14 (508.085302)


   

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)


   

[(1s,2s,4s,5s,6r,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

[(1s,2s,4s,5s,6r,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O12 (508.1580688)


   

3-(3,5-dihydroxy-4-methoxyphenyl)-8-hydroxy-7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

3-(3,5-dihydroxy-4-methoxyphenyl)-8-hydroxy-7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)


   

[(2s,4r,5s,6s,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-4-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

[(2s,4r,5s,6s,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-4-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

C23H24O13 (508.1216854)


   

1,1',4',5',8-pentahydroxy-2',6-dimethyl-9'h-[2,9'-bianthracene]-9,10,10'-trione

1,1',4',5',8-pentahydroxy-2',6-dimethyl-9'h-[2,9'-bianthracene]-9,10,10'-trione

C30H20O8 (508.115812)


   

(2s)-4,9,10'-trihydroxy-7-methoxy-5,8,9'-trioxo-3',4'-dihydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-7'-carboxylic acid

(2s)-4,9,10'-trihydroxy-7-methoxy-5,8,9'-trioxo-3',4'-dihydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-7'-carboxylic acid

C25H16O12 (508.0641736)


   

(2s,4r,5r,6s,7s)-5,12,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-6-yl 4-hydroxy-3,5-dimethoxybenzoate

(2s,4r,5r,6s,7s)-5,12,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-6-yl 4-hydroxy-3,5-dimethoxybenzoate

C23H24O13 (508.1216854)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate

C24H28O12 (508.1580688)


   

(1s,2s,4s,5s,6s,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(1s,2s,4s,5s,6s,10s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O12 (508.1580688)


   

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)


   

4-[4-(3,4-dihydroxyphenyl)-5,8-dihydroxy-12-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-14-yl]-2-methoxyphenyl acetate

4-[4-(3,4-dihydroxyphenyl)-5,8-dihydroxy-12-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-14-yl]-2-methoxyphenyl acetate

C27H24O10 (508.13694039999996)


   

13-{[2-(2,4-dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-yl]methyl}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol

13-{[2-(2,4-dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-yl]methyl}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol

C30H20O8 (508.115812)


   

[(2r,3s,4s,5r,6r)-6-{[(1r)-7,8-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6r)-6-{[(1r)-7,8-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C23H24O13 (508.1216854)


   

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)


   

3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)


   

methyl (1r,4s,5s,6s,10r,11r,13r,16r,17s,18r)-11-acetyl-5,16-bis(acetyloxy)-10-methyl-8,15-dioxo-3,7,14-trioxapentacyclo[8.7.1.0¹,¹³.0⁴,¹⁷.0⁶,¹⁸]octadecane-4-carboxylate

methyl (1r,4s,5s,6s,10r,11r,13r,16r,17s,18r)-11-acetyl-5,16-bis(acetyloxy)-10-methyl-8,15-dioxo-3,7,14-trioxapentacyclo[8.7.1.0¹,¹³.0⁴,¹⁷.0⁶,¹⁸]octadecane-4-carboxylate

C24H28O12 (508.1580688)


   

14'-acetyl-6,6',7,7'-tetrahydroxy-13'-methyl-2h-10',17'-dioxaspiro[1-benzopyran-3,16'-tetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadecane]-2'(11'),4',6',8'-tetraene-3',4,15'-trione

14'-acetyl-6,6',7,7'-tetrahydroxy-13'-methyl-2h-10',17'-dioxaspiro[1-benzopyran-3,16'-tetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadecane]-2'(11'),4',6',8'-tetraene-3',4,15'-trione

C26H20O11 (508.100557)


   

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C23H24O13 (508.1216854)