Exact Mass: 250.0751956

Exact Mass Matches: 250.0751956

Found 500 metabolites which its exact mass value is equals to given mass value 250.0751956, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Citrinin

(3R-trans)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid

C13H14O5 (250.08411940000002)


Citrinin is a mycotoxin originally isolated from Penicillium citrinum. It has since been found to be produced by a variety of other fungi which are found or used in the production of human foods, such as grain, cheese, sake and red pigments. Citrinin has also been found in commercial red yeast rice supplements, and also in Aspergillus niveus and Aspergillus terreus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].

   

4,4'-Diphenylmethane diisocyanate

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C15H10N2O2 (250.07422400000002)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

gamma-Glutamylcysteine

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

C8H14N2O5S (250.0623394)


gamma-Glutamylcysteine is a dipeptide composed of gamma-glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylcysteine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in the glutamate metabolism pathway (KEGG). G-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in glutamate metabolism pathway (KEGG). gamma-Glutamyl-cysteine is found in many foods, some of which are cardamom, hyacinth bean, oil palm, and pak choy. Acquisition and generation of the data is financially supported in part by CREST/JST. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].

   

2-(5-methylthio)pentylmalate

2-(5-methylthio)pentylmalic acid

C10H18O5S (250.0874898)


   

3-(5-methylthio)pentylmalate

3-(5-methylthio)pentylmalic acid

C10H18O5S (250.0874898)


   

Olprinone

Olprinone

C14H10N4O (250.085457)


D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

   

5-Methoxycanthin-6-one

3-methoxy-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

C15H10N2O2 (250.07422400000002)


5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound. 5-Methoxycanthin-6-one is a natural product found in Zanthoxylum caribaeum, Fagaropsis angolensis, and other organisms with data available. 5-Methoxycanthin-6-one is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood

   

2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-[(4Z)-5-Methanesulphinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


(7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens

   

Methoxybrassitin

N-[(1-Methoxy-1H-indol-3-yl)methyl](methylsulphanyl)carboximidic acid

C12H14N2O2S (250.0775944)


Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Methoxybrassitin is found in cauliflower, chinese cabbage, and brassicas. Methoxybrassitin is found in brassicas. Methoxybrassitin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii.

   

2-Methoxycanthin-6-one

7-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

C15H10N2O2 (250.07422400000002)


2-Methoxycanthin-6-one is an alkaloid from stem wood of Quassia amara (Surinam quassia).

   

Cysteinyl-Glutamate

2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]pentanedioic acid

C8H14N2O5S (250.0623394)


Cysteinyl-Glutamate is a dipeptide composed of cysteine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Glutamylcysteine

(4S)-4-Amino-4-{[(1R)-1-carboxy-2-sulphanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

C8H14N2O5S (250.0623394)


Glutamylcysteine is a dipeptide composed of glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylcysteine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Samin

4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol

C13H14O5 (250.08411940000002)


Samin is found in fats and oils. Samin is isolated from sesame seed oil (Sesamum sp.) Samin [ samin] is a village in the administrative district of Gmina Bartniczka, within Brodnica County, Kuyavian-Pomeranian Voivodeship, in north-central Poland. Isolated from sesame seed oil (Sesamum species)

   

N-Acetylkynurenine

alpha-(Acetylamino)-2-amino-gamma-oxobenzenebutanoic acid

C12H14N2O4 (250.0953524)


N-Acetylkynurenine (CAS: 2044-53-3) belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Acetylkynurenine has been identified in urine (PMID: 6051633).

   

(2R,4S)-6-Fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(2R,4S)-6-Fluoro-2-methylspiro[2,3-dihydrochromene-4,5-imidazolidine]-2,4-dione

C12H11FN2O3 (250.0753668)


   

2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

2-(3-methylpiperidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C11H14N4OS (250.08882739999999)


   

Diphenylmethane-2,2'-diisocyanate

1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene

C15H10N2O2 (250.07422400000002)


   

Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-

4-(2-Aminophenyl)-2-[(1-hydroxyethylidene)amino]-4-oxobutanoate

C12H14N2O4 (250.0953524)


   

Tris(2-carboxyethyl)phosphine

3-[bis(2-carboxyethyl)phosphanyl]propanoic acid

C9H15O6P (250.060622)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

6-Anilino-5,8-quinolinedione

6-(phenylamino)-5,8-dihydroquinoline-5,8-dione

C15H10N2O2 (250.07422400000002)


D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid

6-hydroxy-3,4,5-trimethyl-8-oxo-4,8-dihydro-3H-2-benzopyran-7-carboxylic acid

C13H14O5 (250.08411940000002)


   

Cppene

3-(2-Carboxypiperazine-4-yl)-1-propenyl-1-phosphonic acid

C8H15N2O5P (250.071855)


   

Dansylamide

5-(Dimethylamino)naphthalene-1-sulphonamide

C12H14N2O2S (250.0775944)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

[Diisocyanato(phenyl)methyl]benzene

[Diisocyanato(phenyl)methyl]benzene

C15H10N2O2 (250.07422400000002)


   

Olprinone

5-{imidazo[1,2-a]pyridin-6-yl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

C14H10N4O (250.085457)


   

(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

(4S)-4-Amino-5-[(2R)-2-amino-3-sulphanylpropanoyl]oxy-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   

(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

(2S)-2-Amino-5-[(2R)-2-amino-3-sulphanylpropanoyl]oxy-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   

serine glutamate

4-amino-5-[(2-amino-3-hydroxypropanoyl)peroxy]-5-oxopentanoic acid

C8H14N2O7 (250.0800974)


   

N-gamma-Glutamylcysteine

2-amino-4-[(1-carboxy-2-sulfanylethyl)-C-hydroxycarbonimidoyl]butanoic acid

C8H14N2O5S (250.0623394)


gamma-L-Glutamyl-L-cysteine (also known as gamma-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate‚Äîcysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. γ-L-Glutamyl-L-cysteine (also known as γ-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate—cysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].

   
   
   
   
   

4,6-dihydroxy-3-methylidene-10-prop-1-enyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione

4,6-dihydroxy-3-methylidene-10-prop-1-enyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione

C13H14O5 (250.08411940000002)


   
   
   
   
   

9-Methoxycanthin-6-one

9-Methoxycanthin-6-one

C15H10N2O2 (250.07422400000002)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].

   
   

2-methoxycanthin-6-one

7-methoxy-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   
   

2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one

2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one

C12H14N2O2S (250.0775944)


   
   
   
   
   

1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-

1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-

C13H14O5 (250.08411940000002)


   
   

(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-propenal|4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde|4-Acetoxy-3,5-dimethoxy-trans-zimtaldehyd

(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-propenal|4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde|4-Acetoxy-3,5-dimethoxy-trans-zimtaldehyd

C13H14O5 (250.08411940000002)


   

2-(3,5-Dihydroxy-6-acetyl-2,3-dihydrobenzofuran-3-yl)allyl alcohol

2-(3,5-Dihydroxy-6-acetyl-2,3-dihydrobenzofuran-3-yl)allyl alcohol

C13H14O5 (250.08411940000002)


   
   
   

2H-1-Benzopyran-2-one, 3,4,8-trimethoxy-5-methyl-

2H-1-Benzopyran-2-one, 3,4,8-trimethoxy-5-methyl-

C13H14O5 (250.08411940000002)


   

5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione

5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione

C12H14N2O4 (250.0953524)


   

trans-sphagnum acid ethyl ester

trans-sphagnum acid ethyl ester

C13H14O5 (250.08411940000002)


   
   
   
   

Di-Me ester-3-(4-Hydroxyphenyl)-2-pentenediolic acid

Di-Me ester-3-(4-Hydroxyphenyl)-2-pentenediolic acid

C13H14O5 (250.08411940000002)


   
   

6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-

6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-

C15H10N2O2 (250.07422400000002)


   
   
   

Drymaritin

Drymaritin

C15H10N2O2 (250.07422400000002)


An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity.

   

6-beta-hydroxypropionyl-3-methyllumazine

6-beta-hydroxypropionyl-3-methyllumazine

C10H10N4O4 (250.070202)


   
   

3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one

3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one

C13H14O5 (250.08411940000002)


   

5-hydroxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid

5-hydroxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid

C13H14O5 (250.08411940000002)


   

4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one

4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one

C13H14O5 (250.08411940000002)


   

4-Methyl-9H-furo[2,3:7,8]naphtho[2,1-b]pyran-9-one

4-Methyl-9H-furo[2,3:7,8]naphtho[2,1-b]pyran-9-one

C16H10O3 (250.062991)


   

globosumone A

globosumone A

C13H14O5 (250.08411940000002)


A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.

   
   

3-acetyl-2-methyl-1,4,5-trihydroxy-2,5-epoxynaphthoquinol

3-acetyl-2-methyl-1,4,5-trihydroxy-2,5-epoxynaphthoquinol

C13H14O5 (250.08411940000002)


   
   

8-hydroxy-7-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|isoarmenin

8-hydroxy-7-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|isoarmenin

C13H14O5 (250.08411940000002)


   

(E)-6-(2,4-dihydroxyl-5-methylphenyl)-6-oxo-2-hexenoic acid

(E)-6-(2,4-dihydroxyl-5-methylphenyl)-6-oxo-2-hexenoic acid

C13H14O5 (250.08411940000002)


   
   
   
   

3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one

3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one

C13H14O5 (250.08411940000002)


   

2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid

2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid

C13H14O5 (250.08411940000002)


   
   

4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose

4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose

C9H14O8 (250.0688644)


   

7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|monaspurpurone

7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|monaspurpurone

C13H14O5 (250.08411940000002)


   

1-Methoxycanthinone

1-Methoxycanthinone

C15H10N2O2 (250.07422400000002)


An indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity.

   
   

4,6,7-Trimethoxy-5-methylcoumarin

4,6,7-Trimethoxy-5-methylcoumarin

C13H14O5 (250.08411940000002)


   
   

Cyclolanceaefolic acid methyl ester

Cyclolanceaefolic acid methyl ester

C13H14O5 (250.08411940000002)


   
   

3,5-Dimethyl-7-hydroxy-4,6-dimethoxycoumarin

3,5-Dimethyl-7-hydroxy-4,6-dimethoxycoumarin

C13H14O5 (250.08411940000002)


   

5-hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one

5-hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one

C13H14O5 (250.08411940000002)


   
   
   

(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

C13H14O5 (250.08411940000002)


   
   

(2S)-7-Hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl) chromone|(2S)-7-hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl)chromone

(2S)-7-Hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl) chromone|(2S)-7-hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl)chromone

C13H14O5 (250.08411940000002)


   
   
   

8-Methoxycanthin-6-one

13-METHOXY-1,6-DIAZATETRACYCLO[7.6.1.0?,(1)?.0(1)?,(1)?]HEXADECA-3,5,7,9(16),10(15),11,13-HEPTAEN-2-ONE

C15H10N2O2 (250.07422400000002)


9-methoxycanthin-6-one is an indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antiplasmodial drug. It is an indole alkaloid, an aromatic ether and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 9-Methoxycanthin-6-one is a natural product found in Simarouba glauca, Eurycoma longifolia, and other organisms with data available. An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].

   

Citrinin

(-)-Citrinin

C13H14O5 (250.08411940000002)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].

   

Citrinin_120248

Citrinin_120248

C13H14O5 (250.08411940000002)


Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].

   

gamma-Glu-cys

Gamma-glutamylcysteine

C8H14N2O5S (250.0623394)


Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].

   

8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one

NCGC00381450-01!8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one

C13H14O5 (250.08411940000002)


   

2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one

NCGC00384670-01!2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one

C13H14O5 (250.08411940000002)


   

8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one

NCGC00384779-01!8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one

C13H14O5 (250.08411940000002)


   

Gamma-glutamylcysteine

Gamma-glutamylcysteine

C8H14N2O5S (250.0623394)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RITKHVBHSGLULN_STSL_0116_5-Glutamylcysteine_8000fmol_180506_S2_LC02_MS02_219; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].

   

gamma-Glutamyl-cysteine

gamma-Glutamyl-cysteine

C8H14N2O5S (250.0623394)


   

13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]

NCGC00384670-01!2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]

C13H14O5 (250.08411940000002)


   

gamma-Glutamyl-cysteine; LC-tDDA; CE10

gamma-Glutamyl-cysteine; LC-tDDA; CE10

C8H14N2O5S (250.0623394)


   

gamma-Glutamyl-cysteine; LC-tDDA; CE20

gamma-Glutamyl-cysteine; LC-tDDA; CE20

C8H14N2O5S (250.0623394)


   

gamma-Glutamyl-cysteine; LC-tDDA; CE30

gamma-Glutamyl-cysteine; LC-tDDA; CE30

C8H14N2O5S (250.0623394)


   

gamma-Glutamyl-cysteine; LC-tDDA; CE40

gamma-Glutamyl-cysteine; LC-tDDA; CE40

C8H14N2O5S (250.0623394)


   
   

3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-

3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-

C12H11FN2O3 (250.0753668)


   
   
   

10-bromo-decanoic acid

10-bromo-decanoic acid

C10H19BrO2 (250.0568334)


   

2-bromo-decanoic acid

2-bromo-decanoic acid

C10H19BrO2 (250.0568334)


   

LY83583

6-(Phenylamino)-5,8-quinolinedione

C15H10N2O2 (250.07422400000002)


D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

9-bromo-decanoic acid

9-bromo-decanoic acid

C10H19BrO2 (250.0568334)


   

5-Methoxycanthin-6-one

3-methoxy-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-[(4Z)-5-methanesulfinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


   

Methoxybrassitin

N-[(1-methoxy-1H-indol-3-yl)methyl](methylsulfanyl)formamide

C12H14N2O2S (250.0775944)


   

Samin

4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol

C13H14O5 (250.08411940000002)


   

Benzothiazole, 2-(1H-indol-3-yl)-

Benzothiazole, 2-(1H-indol-3-yl)-

C15H10N2S (250.056466)


   

4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

C13H14O5 (250.08411940000002)


   

5-(1-Chloro-2-methylpropan-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole

5-(1-Chloro-2-methylpropan-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole

C13H15ClN2O (250.08728499999998)


   

Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride

Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride

C9H16Cl2N4 (250.0751956)


   

3-(trifluoromethyl)benzophenone

3-(trifluoromethyl)benzophenone

C14H9F3O (250.060546)


   

5-phenyl-3-propan-2-yl-1,3,5-thiadiazinane-2,4-dione

5-phenyl-3-propan-2-yl-1,3,5-thiadiazinane-2,4-dione

C12H14N2O2S (250.0775944)


   

(3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID

(3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID

C10H11BN2O5 (250.07609860000002)


   

2-Butenal, (2,4-dinitrophenyl)hydrazone

2-Butenal, (2,4-dinitrophenyl)hydrazone

C10H10N4O4 (250.070202)


   

Ethyl 8-bromooctanoate

Ethyl 8-bromooctanoate

C10H19BrO2 (250.0568334)


   

Ozagrel sodium

Ozagrel (sodium)

C13H11N2NaO2 (250.0718186)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

   

3-BENZYLIDENEISOCHROMAN-1,4-DIONE

3-BENZYLIDENEISOCHROMAN-1,4-DIONE

C16H10O3 (250.062991)


   

2-PHENYL-1,6-NAPHTHYRIDINE-3-CARBOXYLICACID

2-PHENYL-1,6-NAPHTHYRIDINE-3-CARBOXYLICACID

C15H10N2O2 (250.07422400000002)


   

Benzoic acid, 2-(1,8-naphthyridin-2-yl)- (9CI)

Benzoic acid, 2-(1,8-naphthyridin-2-yl)- (9CI)

C15H10N2O2 (250.07422400000002)


   

2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine

2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine

C14H10N4O (250.085457)


   

1-(2-(4-NITROPHENOXY)ETHYL)PYRROLIDIN-2-ONE

1-(2-(4-NITROPHENOXY)ETHYL)PYRROLIDIN-2-ONE

C12H14N2O4 (250.0953524)


   
   

4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine

4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine

C11H11ClN4O (250.06213459999998)


   

methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate

methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate

C13H14O5 (250.08411940000002)


   

N-(3-amino-2,4-difluorophenyl)propane-1-sulfonamide

N-(3-amino-2,4-difluorophenyl)propane-1-sulfonamide

C9H12F2N2O2S (250.0587516)


   
   

4-Benzyloxyphenylhydrazine hydrochloride

4-Benzyloxyphenylhydrazine hydrochloride

C13H15ClN2O (250.08728499999998)


   

4-pyridin-3-yloxypyridine-2-carboximidamide,hydrochloride

4-pyridin-3-yloxypyridine-2-carboximidamide,hydrochloride

C11H11ClN4O (250.06213459999998)


   

6,7-DIMETHOXY-4-HYDROXY-3-NITROQUINOLINE

6,7-DIMETHOXY-4-HYDROXY-3-NITROQUINOLINE

C11H10N2O5 (250.058969)


   

2,2,5,7-TETRAMETHYL-1-OXOINDANE-4-CARBONYL CHLORIDE

2,2,5,7-TETRAMETHYL-1-OXOINDANE-4-CARBONYL CHLORIDE

C14H15ClO2 (250.076052)


   

2-(Trifluoromethyl)benzophenone

2-(Trifluoromethyl)benzophenone

C14H9F3O (250.060546)


   

2-(TRIFLUOROACETYL)BIPHENYL

2-(TRIFLUOROACETYL)BIPHENYL

C14H9F3O (250.060546)


   

ethyl 2-(3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetate

ethyl 2-(3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetate

C12H14N2O4 (250.0953524)


   

4-(Pyridin-2-yl)piperidin-4-ol dihydrochloride

4-(Pyridin-2-yl)piperidin-4-ol dihydrochloride

C10H16Cl2N2O (250.06396259999997)


   

5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

5-[(3,4-ETHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

C13H14O5 (250.08411940000002)


   

2-(5-bromopentoxy)oxane

2-(5-bromopentoxy)oxane

C10H19BrO2 (250.0568334)


   
   

2,4-Diaminophenetole sulfate

2,4-Diaminophenetole sulfate

C8H14N2O5S (250.0623394)


   

Dimethyl 4-methoxybenzylidenemalonate

Dimethyl 4-methoxybenzylidenemalonate

C13H14O5 (250.08411940000002)


   

2-(2-Hydroxy)ethyl-p-phenylene diamino sulfate

2-(2-Hydroxy)ethyl-p-phenylene diamino sulfate

C8H14N2O5S (250.0623394)


   

1-(4-morpholin-4-yl-3-nitrophenyl)ethanone

1-(4-morpholin-4-yl-3-nitrophenyl)ethanone

C12H14N2O4 (250.0953524)


   

2-(Trifluoromethyl)-[1,1-Biphenyl]-3-Carboxaldehyde

2-(Trifluoromethyl)-[1,1-Biphenyl]-3-Carboxaldehyde

C14H9F3O (250.060546)


   

1-(4-CHLORO-PHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YLAMINE

1-(4-CHLORO-PHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YLAMINE

C11H11ClN4O (250.06213459999998)


   
   

1-(3-methoxy-4-nitrophenyl)piperidin-4-one

1-(3-methoxy-4-nitrophenyl)piperidin-4-one

C12H14N2O4 (250.0953524)


   

4-(Piperidin-4-yloxy)pyridine dihydrochloride

4-(Piperidin-4-yloxy)pyridine dihydrochloride

C10H16Cl2N2O (250.06396259999997)


   

4-Trifluoromethyl-biphenyl-4-carbaldehyde

4-Trifluoromethyl-biphenyl-4-carbaldehyde

C14H9F3O (250.060546)


   

3-CHLORO-4-FLUORO-3-METHYLBENZHYDROL

3-CHLORO-4-FLUORO-3-METHYLBENZHYDROL

C14H12ClFO (250.05606639999996)


   

1H-Indene-1,3(2H)-dione, 2-benzoyl-

1H-Indene-1,3(2H)-dione, 2-benzoyl-

C16H10O3 (250.062991)


   
   

ethyl 4-methoxycarbonylbenzoylacetate

ethyl 4-methoxycarbonylbenzoylacetate

C13H14O5 (250.08411940000002)


   

4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid

4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid

C13H14O5 (250.08411940000002)


   

8,9-DIHYDRO-3-PHENYL-1,2,5-OXADIAZOLO[3,4-F]CINNOLINE

8,9-DIHYDRO-3-PHENYL-1,2,5-OXADIAZOLO[3,4-F]CINNOLINE

C14H10N4O (250.085457)


   

(4-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid

(4-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid

C10H11BN2O3S (250.0583406)


   

N-2-Naphthylalaninamide hydrochloride (1:1)

N-2-Naphthylalaninamide hydrochloride (1:1)

C13H15ClN2O (250.08728499999998)


   
   

3?-TRIFLUOROMETHYLBIPHENYL-2-CARBALDEHYDE

3?-TRIFLUOROMETHYLBIPHENYL-2-CARBALDEHYDE

C14H9F3O (250.060546)


   

2-chloro-3-methyl-4-piperidin-4-yloxybenzonitrile

2-chloro-3-methyl-4-piperidin-4-yloxybenzonitrile

C13H15ClN2O (250.08728499999998)


   

2-Pyridin-2-yl-quinoline-4-carboxylic acid

2-Pyridin-2-yl-quinoline-4-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

METHYL 1,2,3,4-TETRAHYDRO-7-NITRO-2-OXOQUINOLINE-3-CARBOXYLATE

METHYL 1,2,3,4-TETRAHYDRO-7-NITRO-2-OXOQUINOLINE-3-CARBOXYLATE

C11H10N2O5 (250.058969)


   

4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride

4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride

C10H16Cl2N2O (250.06396259999997)


   
   

3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE

3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE

C15H10N2O2 (250.07422400000002)


   

(3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid

(3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid

C10H11BN2O3S (250.0583406)


   

10-Bromodecanoic acid

10-Bromodecanoic acid

C10H19BrO2 (250.0568334)


   

(4-(3,5-Difluorophenoxy)phenyl)boronic acid

(4-(3,5-Difluorophenoxy)phenyl)boronic acid

C12H9BF2O3 (250.0612778)


   

3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid

3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid

C13H14O5 (250.08411940000002)


   

Ethyl 2-(1H-benzimidazol-2-ylthio)propanoate

Ethyl 2-(1H-benzimidazol-2-ylthio)propanoate

C12H14N2O2S (250.0775944)


   

1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole

1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole

C13H15ClN2O (250.08728499999998)


   

Ethyl 3-(1,4-Benzodioxan-2-yl)-3-oxopropanoate

Ethyl 3-(1,4-Benzodioxan-2-yl)-3-oxopropanoate

C13H14O5 (250.08411940000002)


   

4-[3-(Acryloyloxy)propyloxy]benzoic acid

4-[3-(Acryloyloxy)propyloxy]benzoic acid

C13H14O5 (250.08411940000002)


   

ethyl 7-hydroxy-4-nitro-1H-indole-2-carboxylate

ethyl 7-hydroxy-4-nitro-1H-indole-2-carboxylate

C11H10N2O5 (250.058969)


   

N-(Mesitylenesulfonyl)imidazole

N-(Mesitylenesulfonyl)imidazole

C12H14N2O2S (250.0775944)


   

2,6-Difluoro-N-(2-nitrophenyl)aniline

2,6-Difluoro-N-(2-nitrophenyl)aniline

C12H8F2N2O2 (250.0553812)


   

1,3-DIACETOXYTETRAMETHYLDISILOXANE

1,3-DIACETOXYTETRAMETHYLDISILOXANE

C8H18O5Si2 (250.0692738)


   

2-(Trifluoromethyl)-[1,1-biphenyl]-4-carbaldehyde

2-(Trifluoromethyl)-[1,1-biphenyl]-4-carbaldehyde

C14H9F3O (250.060546)


   

3-Phenylquinoxaline-5-carboxylic acid

3-Phenylquinoxaline-5-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

2-phenylquinoxaline-5-carboxylic acid

2-phenylquinoxaline-5-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

2-Phenylquinoxaline-6-carboxylic acid

2-Phenylquinoxaline-6-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

2-((2-Nitro-4-(trifluoromethyl)phenyl)amino)ethanol

2-((2-Nitro-4-(trifluoromethyl)phenyl)amino)ethanol

C9H9F3N2O3 (250.056524)


   
   
   

Corannulene

Corannulene

C20H10 (250.078246)


   

5-Mercapto-1-[3-(3-methylureido) phenyl]-1,2,3,4-tetrazole

5-Mercapto-1-[3-(3-methylureido) phenyl]-1,2,3,4-tetrazole

C9H10N6OS (250.063677)


   

4-(piperidine-1-sulfonyl)benzonitrile

4-(piperidine-1-sulfonyl)benzonitrile

C12H14N2O2S (250.0775944)


   

Ethyl 2-bromooctanoate

Ethyl 2-bromooctanoate

C10H19BrO2 (250.0568334)


   

2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID

2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID

C15H10N2O2 (250.07422400000002)


   

2-chloro-4-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine

2-chloro-4-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine

C13H12ClFN2 (250.06729939999997)


   

4-Ethoxy-1,2-benzenediamine sulfate (1:1)

4-Ethoxy-1,2-benzenediamine sulfate (1:1)

C8H14N2O5S (250.0623394)


   

(2R,3S)-1-CARBOXY-4-TERT-BUTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, POTASSIUM SALT

(2R,3S)-1-CARBOXY-4-TERT-BUTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, POTASSIUM SALT

C11H15KO4 (250.060737)


   

1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-chlorophenyl)-

1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-chlorophenyl)-

C14H15ClO2 (250.076052)


   

4-Acetoxy-3-acetoxymethylacetophenone

4-Acetoxy-3-acetoxymethylacetophenone

C13H14O5 (250.08411940000002)


   

DIMETHYL 2-(4-METHOXYPHENYL)FUMARATE

DIMETHYL 2-(4-METHOXYPHENYL)FUMARATE

C13H14O5 (250.08411940000002)


   

3-(Piperidine-1-sulfonyl)benzonitrile

3-(Piperidine-1-sulfonyl)benzonitrile

C12H14N2O2S (250.0775944)


   

L-Camphor-10-suLphonic acid

L-Camphor-10-suLphonic acid

C10H18O5S (250.0874898)


   

5-(1-benzothiophen-2-yl)-1H-indazole

5-(1-benzothiophen-2-yl)-1H-indazole

C15H10N2S (250.056466)


   

(2-BENZO[1,3]DIOXOL-5-YL-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER

(2-BENZO[1,3]DIOXOL-5-YL-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER

C13H15ClN2O (250.08728499999998)


   

4-(4-Methylphenoxy)phenylhydrazine hydrochloride

4-(4-Methylphenoxy)phenylhydrazine hydrochloride

C13H15ClN2O (250.08728499999998)


   

1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride

1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride

C9H16Cl2N4 (250.0751956)


   

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE

C9H16Cl2N4 (250.0751956)


   

6-chloro-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-chloro-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C11H11ClN4O (250.06213459999998)


   

4-Phenanthrenecarboxylicacid, 5-formyl-

4-Phenanthrenecarboxylicacid, 5-formyl-

C16H10O3 (250.062991)


   

5-Chloro-6-cyclohexyl-1-benzofuran-2(3H)-one

5-Chloro-6-cyclohexyl-1-benzofuran-2(3H)-one

C14H15ClO2 (250.076052)


   

Methyl 5-methoxy-7-nitro-1H-indole-2-carboxylate

Methyl 5-methoxy-7-nitro-1H-indole-2-carboxylate

C11H10N2O5 (250.058969)


   

2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride

2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride

C13H15ClN2O (250.08728499999998)


   

2-Bromodecanoic acid

10-Bromodecanoic acid

C10H19BrO2 (250.0568334)


A bromo fatty acid that is decanoic acid carrying a single bromo substituent at position 2.

   

9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL

9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL

C14H9F3O (250.060546)


   

Diphenylmaleic anhydride

Diphenylmaleic anhydride

C16H10O3 (250.062991)


   

6-(benzothiophen-2-yl)-1h-indazole

6-(benzothiophen-2-yl)-1h-indazole

C15H10N2S (250.056466)


   

o-(p-Isocyanatobenzyl)phenyl isocyanate

o-(p-Isocyanatobenzyl)phenyl isocyanate

C15H10N2O2 (250.07422400000002)


   

11-Bromo-1-undecanol

11-Bromo-1-undecanol

C11H23BrO (250.0932168)


   

4,6,7-trimethoxy-5-methylchromen-2-one

4,6,7-trimethoxy-5-methylchromen-2-one

C13H14O5 (250.08411940000002)


   

2H-1-Benzopyran-2-one, 3-benzoyl-

2H-1-Benzopyran-2-one, 3-benzoyl-

C16H10O3 (250.062991)


   

4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoic acid

4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoic acid

C13H14O5 (250.08411940000002)


   

1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one

1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one

C13H15ClN2O (250.08728499999998)


   

2-[4-(trifluoromethyl)phenyl]benzaldehyde

2-[4-(trifluoromethyl)phenyl]benzaldehyde

C14H9F3O (250.060546)


   

4-(trifluoromethoxy)phenoxyacetic acid hydrazide

4-(trifluoromethoxy)phenoxyacetic acid hydrazide

C9H9F3N2O3 (250.056524)


   

8-Bromooctan-1-ol acetate

8-Bromooctan-1-ol acetate

C10H19BrO2 (250.0568334)


   

5-hexyl-2,2′-bithienyl

5-hexyl-2,2′-bithienyl

C14H18S2 (250.0849868)


   

3-phenylcinnoline-4-carboxylic acid

3-phenylcinnoline-4-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

sodium,5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate

sodium,5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate

C10H15N2NaO2S (250.075189)


   

tert-butyl n-(4-isothiocyanatophenyl)carbamate

tert-butyl n-(4-isothiocyanatophenyl)carbamate

C12H14N2O2S (250.0775944)


   

(3-ETHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID

(3-ETHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID

C9H10BF3O4 (250.06242060000002)


   

Ethyl2-(4-(cyclopropylthio)phenyl)-2-oxoacetate

Ethyl2-(4-(cyclopropylthio)phenyl)-2-oxoacetate

C13H14O3S (250.0663614)


   

(3-(BENZYLOXY)PHENYL)HYDRAZINE HYDROCHLORIDE

(3-(BENZYLOXY)PHENYL)HYDRAZINE HYDROCHLORIDE

C13H15ClN2O (250.08728499999998)


   

3-[4-(TERT-BUTYL)PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE

3-[4-(TERT-BUTYL)PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE

C13H15ClN2O (250.08728499999998)


   

3-trifluoromethylbiphenyl-4-carbaldehyde

3-trifluoromethylbiphenyl-4-carbaldehyde

C14H9F3O (250.060546)


   

4-(Trifluoromethyl)-[1,1-biphenyl]-3-carbaldehyde

4-(Trifluoromethyl)-[1,1-biphenyl]-3-carbaldehyde

C14H9F3O (250.060546)


   

3-trifluoromethylbiphenyl-3-carbaldehyde

3-trifluoromethylbiphenyl-3-carbaldehyde

C14H9F3O (250.060546)


   
   
   

[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid

[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid

C12H11FN2O3 (250.0753668)


   

TERT-BUTYL (4-(DIFLUOROMETHYL)THIAZOL-2-YL)CARBAMATE

TERT-BUTYL (4-(DIFLUOROMETHYL)THIAZOL-2-YL)CARBAMATE

C9H12F2N2O2S (250.0587516)


   

2-phenyl-1,6-naphthyridine-4-carboxylic acid

2-phenyl-1,6-naphthyridine-4-carboxylic acid

C15H10N2O2 (250.07422400000002)


   

2-Methoxymethoxy-5-(trifluoromethyl)phenylboronic acid

2-Methoxymethoxy-5-(trifluoromethyl)phenylboronic acid

C9H10BF3O4 (250.06242060000002)


   

2-(Trimethylsilyl)benzo[b]thiophen-7-ylboronic acid

2-(Trimethylsilyl)benzo[b]thiophen-7-ylboronic acid

C11H15BO2SSi (250.06550400000003)


   

ethyl 2-bromo-2-propylpentanoate

ethyl 2-bromo-2-propylpentanoate

C10H19BrO2 (250.0568334)


   

1,8-Naphthyridine-4-carboxylic acid, 2-phenyl-

1,8-Naphthyridine-4-carboxylic acid, 2-phenyl-

C15H10N2O2 (250.07422400000002)


   

1-(2-Chlorophenyl)piperazine Monohydrochloride Monohydrate

1-(2-Chlorophenyl)piperazine Monohydrochloride Monohydrate

C10H16Cl2N2O (250.06396259999997)


   

2-(1,6-NAPHTHYRIDIN-2-YL)BENZOIC ACID

2-(1,6-NAPHTHYRIDIN-2-YL)BENZOIC ACID

C15H10N2O2 (250.07422400000002)


   

6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole

6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole

C13H15ClN2O (250.08728499999998)


   

Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester

Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester

C10H19BrO2 (250.0568334)


   

5-[amino(methyl)amino]-4-chloro-2-phenylpyridazin-3-one

5-[amino(methyl)amino]-4-chloro-2-phenylpyridazin-3-one

C11H11ClN4O (250.06213459999998)


   

2-(4-Piperidyloxy)pyridine Dihydrochloride

2-(4-Piperidyloxy)pyridine Dihydrochloride

C10H16Cl2N2O (250.06396259999997)


   

6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide

6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide

C13H15ClN2O (250.08728499999998)


   

4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone

C13H14O5 (250.08411940000002)


   

4-(trifluoromethyl)benzophenone

4-(trifluoromethyl)benzophenone

C14H9F3O (250.060546)


   

3-(5-Amino-1-pentanoyl)pyridine dihydrochloride

3-(5-Amino-1-pentanoyl)pyridine dihydrochloride

C10H16Cl2N2O (250.06396259999997)


   

6-chloro-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

6-chloro-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

C11H11ClN4O (250.06213459999998)


   

1H-Indene-1,3(2H)-dione,2-[(4-hydroxyphenyl)methylene]-

1H-Indene-1,3(2H)-dione,2-[(4-hydroxyphenyl)methylene]-

C16H10O3 (250.062991)


   

1H-Benzimidazole-1,3(2H)-diaceticacid, 2-oxo-

1H-Benzimidazole-1,3(2H)-diaceticacid, 2-oxo-

C11H10N2O5 (250.058969)


   

2-(4-Pyridinyl)-4-quinolinecarboxylic acid

2-(4-Pyridinyl)-4-quinolinecarboxylic acid

C15H10N2O2 (250.07422400000002)


   

1,2,4,5-Benzenetetracarboxamide

1,2,4,5-Benzenetetracarboxamide

C10H10N4O4 (250.070202)


   

Methyl 4-(2-aminoanilino)-2,5-dihydrothiophene-3-carboxylate

Methyl 4-(2-aminoanilino)-2,5-dihydrothiophene-3-carboxylate

C12H14N2O2S (250.0775944)


   

4-((4-METHOXYBENZYL)OXY)-2-METHYLENE-4-OXOBUTANOIC ACID

4-((4-METHOXYBENZYL)OXY)-2-METHYLENE-4-OXOBUTANOIC ACID

C13H14O5 (250.08411940000002)


   

Polymethylene polyphenyl polyisocyanate

Polymethylene polyphenyl polyisocyanate

C15H10N2O2 (250.07422400000002)


   

3-AMINO-1-METHYL-5-PHENYL-1H-AZEPIN-2(3H)-ONE HYDROCHLORIDE

3-AMINO-1-METHYL-5-PHENYL-1H-AZEPIN-2(3H)-ONE HYDROCHLORIDE

C13H15ClN2O (250.08728499999998)


   

(3-benzyloxy-phenyl)-hydrazine hydrochloride

(3-benzyloxy-phenyl)-hydrazine hydrochloride

C13H15ClN2O (250.08728499999998)


   

S-indol-3-ylmethylcysteine

S-indol-3-ylmethylcysteine

C12H14N2O2S (250.0775944)


   

SDZ EAA 494

SDZ EAA 494

C8H15N2O5P (250.071855)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists

   

Spiro(4H-1-benzopyran-4,4-imidazolidine)-2,5-dione, 6-fluoro-2,3-dihydro-2-methyl-

Spiro(4H-1-benzopyran-4,4-imidazolidine)-2,5-dione, 6-fluoro-2,3-dihydro-2-methyl-

C12H11FN2O3 (250.0753668)


D004791 - Enzyme Inhibitors

   

1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-

1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-

C13H14O5 (250.08411940000002)


   

Midafotel

Midafotel

C8H15N2O5P (250.071855)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C12H14N2O2S (250.0775944)


   

1-(4-Fluoro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester

1-(4-Fluoro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester

C12H11FN2O3 (250.0753668)


   

N-(morpholine-4-carbothioyl)benzamide

N-(morpholine-4-carbothioyl)benzamide

C12H14N2O2S (250.0775944)


   

(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid

(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid

C13H14O5 (250.08411940000002)


   

2-[(3-Fluorophenyl)methylthio]pyrimidine-4,6-diamine

2-[(3-Fluorophenyl)methylthio]pyrimidine-4,6-diamine

C11H11FN4S (250.0688418)


   

Galactose 4,6-pyruvate acetal

Galactose 4,6-pyruvate acetal

C9H14O8 (250.0688644)


   

Methyl 4-acetoxy-3-methoxycinnamate

Methyl 4-acetoxy-3-methoxycinnamate

C13H14O5 (250.08411940000002)


   

L-Cysteinyl-L-glutamic acid

L-Cysteinyl-L-glutamic acid

C8H14N2O5S (250.0623394)


   
   

2-(4-Fluorophenyl)-4-phenylpyrimidine

2-(4-Fluorophenyl)-4-phenylpyrimidine

C16H11FN2 (250.0906218)


   

Phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

C15H10N2O2 (250.07422400000002)


   

2-(3-Fluorophenyl)-4-phenylpyrimidine

2-(3-Fluorophenyl)-4-phenylpyrimidine

C16H11FN2 (250.0906218)


   

4,6pyDGalbeta R isomer

4,6pyDGalbeta R isomer

C9H14O8 (250.0688644)


   

(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid

(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid

C9H14O8 (250.0688644)


   

C-(1-Azido-alpha-D-glucopyranosyl) formamide

C-(1-Azido-alpha-D-glucopyranosyl) formamide

C7H14N4O6 (250.0913304)


   
   

4-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid

4-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   
   
   

indol-3-ylmethyl-L-cysteine

indol-3-ylmethyl-L-cysteine

C12H14N2O2S (250.0775944)


   

(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

C9H14O8 (250.0688644)


   

2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

C11H14N4OS (250.08882739999999)


   

(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   

(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   

4-Amino-5-(2-amino-3-hydroxypropanoyl)peroxy-5-oxopentanoic acid

4-Amino-5-(2-amino-3-hydroxypropanoyl)peroxy-5-oxopentanoic acid

C8H14N2O7 (250.0800974)


   
   

9-Methoxyeupolauridine 1-Oxide

9-Methoxyeupolauridine 1-Oxide

C15H10N2O2 (250.07422400000002)


A natural product found in Ambavia gerrardii.

   

(r)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one

(r)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one

C13H14O5 (250.08411940000002)


A natural product found in Leptosphaeria species and Halorosellinia oceanica.

   

6-Quinoxalinecarboxylic acid phenyl ester

6-Quinoxalinecarboxylic acid phenyl ester

C15H10N2O2 (250.07422400000002)


   

4-Acetoxy-3,5-dimethoxy-trans-cinnamaldehyde

4-Acetoxy-3,5-dimethoxy-trans-cinnamaldehyde

C13H14O5 (250.08411940000002)


   

N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide

N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide

C11H11ClN4O (250.06213459999998)


   

(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

C13H14O5 (250.08411940000002)


A natural product found in Leptosphaeria species and Halorosellinia oceanica.

   

5-[(4-chlorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one

5-[(4-chlorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one

C11H11ClN4O (250.06213459999998)


   

(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one

(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one

C13H14O5 (250.08411940000002)


   

7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione

7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione

C13H14O5 (250.08411940000002)


   
   

1-[4-(2-Chlorophenoxy)butyl]imidazole

1-[4-(2-Chlorophenoxy)butyl]imidazole

C13H15ClN2O (250.08728499999998)


   

3,4-O-[(1S)-1-carboxyethylidene]-beta-D-galactose

3,4-O-[(1S)-1-carboxyethylidene]-beta-D-galactose

C9H14O8 (250.0688644)


   

N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

C11H11FN4S (250.0688418)


   

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide

C12H14N2O2S (250.0775944)


   

2-Amino-1-methyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

2-Amino-1-methyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

C14H10N4O (250.085457)


   

Diphenylcyclopentadienylphosphine

Diphenylcyclopentadienylphosphine

C17H15P (250.091132)


   

4,6-O-[(1R)-1-carboxyethylidene]-D-galactose

4,6-O-[(1R)-1-carboxyethylidene]-D-galactose

C9H14O8 (250.0688644)


   

3-aminopropyl beta-D-galactopyranosiduronate

3-aminopropyl beta-D-galactopyranosiduronate

C9H16NO7- (250.09267260000001)


   

(Z)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enethioamide

(Z)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enethioamide

C12H14N2S2 (250.0598364)


   

3-(1,2,4-Trihydroxybutyl)isochromen-1-one

3-(1,2,4-Trihydroxybutyl)isochromen-1-one

C13H14O5 (250.08411940000002)


   

N-acetyl-S-(3-amino-2-hydroxy-3-oxopropyl)-D-cysteine

N-acetyl-S-(3-amino-2-hydroxy-3-oxopropyl)-D-cysteine

C8H14N2O5S (250.0623394)


   

2-(2-(2-Oxo-2-(trimethylsilyloxy)ethoxy)ethoxy)acetic acid

2-(2-(2-Oxo-2-(trimethylsilyloxy)ethoxy)ethoxy)acetic acid

C9H18O6Si (250.08726080000002)


   

4-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-3-oxo-2-butenic acid

4-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-3-oxo-2-butenic acid

C13H14O5 (250.08411940000002)


   

2-(Trimethylsilylthio)propionic acid trimethylsilyl ester

2-(Trimethylsilylthio)propionic acid trimethylsilyl ester

C9H22O2SSi2 (250.0878992)


   

4,4-Diphenylmethane diisocyanate

4,4-methylenebis(phenyl isocyanate)

C15H10N2O2 (250.07422400000002)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-(5-methylthio)pentylmalic acid

3-(5-methylthio)pentylmalic acid

C10H18O5S (250.0874898)


   

2-(5-methylthio)pentylmalic acid

2-(5-methylthio)pentylmalic acid

C10H18O5S (250.0874898)


   
   

Tris(2-carboxyethyl)phosphine

3,3,3-PHOSPHINETRIYLTRIPROPANOIC ACID

C9H15O6P (250.060622)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid

2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid

C8H14N2O5S (250.0623394)


   

Glu-cys

Glu-cys

C8H14N2O5S (250.0623394)


A dipeptide composed of L-glutamic acid and L-cysteine joined by a peptide linkage.

   

salicifoliol

salicifoliol

C13H14O5 (250.08411940000002)


A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4.

   

azanigerone E

azanigerone E

C13H14O5 (250.08411940000002)


An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.

   

L-gamma-Glutamyl-L-cysteine

L-gamma-Glutamyl-L-cysteine

C8H14N2O5S (250.0623394)


A molecular entity formed when L-cysteine amino group binds to the gamma-carbonyl of L-glutamic acid.

   
   

Antimalarial agent 14

Antimalarial agent 14

C16H10O3 (250.062991)


Antimalarial agent 14 (Compound N3) is a potent inhibitor of mitochondrial electron transport. Antimalarial agent 14 can serve as an anti-malarial agent[1].

   

SIRT1-IN-2

SIRT1-IN-2

C13H15ClN2O (250.08728499999998)


SIRT1-IN-2 (compound 3h) is a potent and selective SIRT1 (silent information regulator 1) inhibitor, with an IC50 of 1.6 μM[1].

   

7-hydroxy-4,6-dimethoxy-3,5-dimethylchromen-2-one

7-hydroxy-4,6-dimethoxy-3,5-dimethylchromen-2-one

C13H14O5 (250.08411940000002)


   

6,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-7-methylisochromen-1-one

6,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-7-methylisochromen-1-one

C13H14O5 (250.08411940000002)


   

5-hydroxy-7-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid

5-hydroxy-7-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid

C13H14O5 (250.08411940000002)


   

(4s)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one

(4s)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

(1s,4s,6s,8s,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(1s,4s,6s,8s,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

2,6-dimethoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenyl acetate

2,6-dimethoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenyl acetate

C13H14O5 (250.08411940000002)


   

(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

C9H14O8 (250.0688644)


   

(3s,5s,6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

(3s,5s,6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

C13H14O5 (250.08411940000002)


   

(2r,3s)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one

(2r,3s)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one

C13H14O5 (250.08411940000002)


   

3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

C13H14O5 (250.08411940000002)


   

(1r,4r,6s,8r,10s,11z,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(1r,4r,6s,8r,10s,11z,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one

(3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one

C13H14O5 (250.08411940000002)


   

(2z,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2z,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


   

(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid

(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid

C13H14O5 (250.08411940000002)


   

(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate

(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate

C13H14O5 (250.08411940000002)


   

(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

C13H14O5 (250.08411940000002)


   

1-(4,5,6-trimethoxy-1-benzofuran-2-yl)ethanone

1-(4,5,6-trimethoxy-1-benzofuran-2-yl)ethanone

C13H14O5 (250.08411940000002)


   

(3ar,5r,6s,6ar)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

(3ar,5r,6s,6ar)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

C13H14O5 (250.08411940000002)


   

(6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

(6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

C13H14O5 (250.08411940000002)


   

methyl 3-[(3r)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate

methyl 3-[(3r)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate

C13H14O5 (250.08411940000002)


   

6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxychromen-2-one

6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxychromen-2-one

C13H14O5 (250.08411940000002)


   

8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

C13H14O5 (250.08411940000002)


   

7,8-dihydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one

7,8-dihydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one

C13H14O5 (250.08411940000002)


   

2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene

NA

C13H14O3S (250.0663614)


{"Ingredient_id": "HBIN004690","Ingredient_name": "2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C13H14O3S","Ingredient_Smile": "NA","Ingredient_weight": "250.31","OB_score": "NA","CAS_id": "124442-14-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9051","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone

NA

C13H14O5 (250.08411940000002)


{"Ingredient_id": "HBIN006790","Ingredient_name": "(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C=C2CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-methyl-canthin-2,6-dione

NA

C15H10N2O2 (250.07422400000002)


{"Ingredient_id": "HBIN008923","Ingredient_name": "3-methyl-canthin-2,6-dione","Alias": "NA","Ingredient_formula": "C15H10N2O2","Ingredient_Smile": "CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(5s,6r,7r,8r)-goniotriol

NA

C13H14O5 (250.08411940000002)


{"Ingredient_id": "HBIN011935","Ingredient_name": "(5s,6r,7r,8r)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "125950","DrugBank_id": "NA"}

   

(5s,6r,7s,8s)-goniotriol

NA

C13H14O5 (250.08411940000002)


{"Ingredient_id": "HBIN011941","Ingredient_name": "(5s,6r,7s,8s)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "26496963","DrugBank_id": "NA"}

   

(3s,4s)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

(3s,4s)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

C13H14O5 (250.08411940000002)


   

2-methanesulfinyl-1,4-dimethoxynaphthalene

2-methanesulfinyl-1,4-dimethoxynaphthalene

C13H14O3S (250.0663614)


   

5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one

5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one

C13H14O5 (250.08411940000002)


   

(2r,3r,3as,7s,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

(2r,3r,3as,7s,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

C13H14O5 (250.08411940000002)


   

6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

C9H14O8 (250.0688644)


   

4,6-dihydroxy-3-methylidene-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,7-dione

4,6-dihydroxy-3-methylidene-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,7-dione

C13H14O5 (250.08411940000002)


   

8-hydroxy-7-[(3s)-3-hydroxybutoxy]chromen-2-one

8-hydroxy-7-[(3s)-3-hydroxybutoxy]chromen-2-one

C13H14O5 (250.08411940000002)


   

(2s)-2-hydroxy-2-[5-(methylsulfanyl)pentyl]butanedioic acid

(2s)-2-hydroxy-2-[5-(methylsulfanyl)pentyl]butanedioic acid

C10H18O5S (250.0874898)


   

(3as,9r,9as)-5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one

(3as,9r,9as)-5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one

C13H14O5 (250.08411940000002)


   

(2e,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2e,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


   

(3s,4r)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid

(3s,4r)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid

C13H14O5 (250.08411940000002)


   

7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one

7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one

C13H14O5 (250.08411940000002)


   

8-hydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxychromen-2-one

8-hydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxychromen-2-one

C13H14O5 (250.08411940000002)


   

6-hydroxy-3-(2-hydroxypropyl)-8-methoxychromen-2-one

6-hydroxy-3-(2-hydroxypropyl)-8-methoxychromen-2-one

C13H14O5 (250.08411940000002)


   

1-[3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone

1-[3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone

C13H14O5 (250.08411940000002)


   

(1r,4r,6r,8r,10r,11e,14r)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(1r,4r,6r,8r,10r,11e,14r)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(4s,6s,9s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

(4s,6s,9s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

(5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-5-hydroxy-5,6-dihydropyran-2-one

(5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-5-hydroxy-5,6-dihydropyran-2-one

C13H14O5 (250.08411940000002)


   

4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione

4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione

C13H14O5 (250.08411940000002)


   

6-hydroxy-2-methyl-5-(5-oxofuran-2-ylidene)hex-3-yn-1-yl acetate

6-hydroxy-2-methyl-5-(5-oxofuran-2-ylidene)hex-3-yn-1-yl acetate

C13H14O5 (250.08411940000002)


   

methyl (2s)-2-[(1r)-1-hydroxy-2-phenylethyl]-4-oxooxetane-2-carboxylate

methyl (2s)-2-[(1r)-1-hydroxy-2-phenylethyl]-4-oxooxetane-2-carboxylate

C13H14O5 (250.08411940000002)


   

3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

C15H10N2O2 (250.07422400000002)


   

2-oxopent-3-en-1-yl 2,4-dihydroxy-6-methylbenzoate

2-oxopent-3-en-1-yl 2,4-dihydroxy-6-methylbenzoate

C13H14O5 (250.08411940000002)


   

3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

C13H14O5 (250.08411940000002)


   

6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid

6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid

C13H14O5 (250.08411940000002)


   

(1s,4s,5s,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

(1s,4s,5s,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2(10),3,8,11,15,17-heptaen-12-ylium

5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2(10),3,8,11,15,17-heptaen-12-ylium

[C16H12NO2]+ (250.0867992)


   

2,6-dimethoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate

2,6-dimethoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate

C13H14O5 (250.08411940000002)


   

7-hydroxy-5-(hydroxymethyl)-2-(2-hydroxypropyl)chromen-4-one

7-hydroxy-5-(hydroxymethyl)-2-(2-hydroxypropyl)chromen-4-one

C13H14O5 (250.08411940000002)


   

(4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(1s,4s,6s,8s,10s,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(1s,4s,6s,8s,10s,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(4r)-4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one

(4r)-4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

5,6,8-trimethoxy-3-methylisochromen-1-one

5,6,8-trimethoxy-3-methylisochromen-1-one

C13H14O5 (250.08411940000002)


   

4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one

4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

6,7,8-trimethoxy-3-methylisochromen-1-one

6,7,8-trimethoxy-3-methylisochromen-1-one

C13H14O5 (250.08411940000002)


   

4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one

4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

(2s)-2-amino-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C8H14N2O5S (250.0623394)


   
   

(2e)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid

(2e)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid

C13H14O5 (250.08411940000002)


   

(4r)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

(4r)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

2-(5-methanesulfinylpent-4-en-2-yn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

2-(5-methanesulfinylpent-4-en-2-yn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

C13H14O3S (250.0663614)


   

n-[(1-methoxyindol-3-yl)methyl]methylsulfanylcarboximidic acid

n-[(1-methoxyindol-3-yl)methyl]methylsulfanylcarboximidic acid

C12H14N2O2S (250.0775944)


   

(3r)-6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one

(3r)-6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one

C13H14O5 (250.08411940000002)


   

1-[(1as,2s,7r,7ar)-2,3,7-trihydroxy-7a-methyl-2h,7h-naphtho[2,3-b]oxiren-1a-yl]ethanone

1-[(1as,2s,7r,7ar)-2,3,7-trihydroxy-7a-methyl-2h,7h-naphtho[2,3-b]oxiren-1a-yl]ethanone

C13H14O5 (250.08411940000002)


   

methyl 3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate

methyl 3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate

C13H14O5 (250.08411940000002)


   

(2e,7e)-8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid

(2e,7e)-8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid

C13H14O5 (250.08411940000002)


   

1-[(3s)-3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone

1-[(3s)-3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone

C13H14O5 (250.08411940000002)


   

(4s)-4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one

(4s)-4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

C13H14O5 (250.08411940000002)


   

(3ar,5r,6s,6ar)-6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

(3ar,5r,6s,6ar)-6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

C13H14O5 (250.08411940000002)


   

6,8-dihydroxy-3-(2-hydroxypropyl)-7-methylisochromen-1-one

6,8-dihydroxy-3-(2-hydroxypropyl)-7-methylisochromen-1-one

C13H14O5 (250.08411940000002)


   

(2s)-4-ethoxy-2-hydroxy-4-oxobutyl (2e)-4-chlorobut-2-enoate

(2s)-4-ethoxy-2-hydroxy-4-oxobutyl (2e)-4-chlorobut-2-enoate

C10H15ClO5 (250.06079699999998)


   

methyl 2-(1-hydroxy-2-phenylethyl)-4-oxooxetane-2-carboxylate

methyl 2-(1-hydroxy-2-phenylethyl)-4-oxooxetane-2-carboxylate

C13H14O5 (250.08411940000002)


   

6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one

6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one

C13H14O5 (250.08411940000002)


   

6-hydroxy-1,8-dimethoxy-3-methyl-1h-isochromene-7-carbaldehyde

6-hydroxy-1,8-dimethoxy-3-methyl-1h-isochromene-7-carbaldehyde

C13H14O5 (250.08411940000002)


   

(1r,5s,7s,8r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

(1r,5s,7s,8r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

C13H14O5 (250.08411940000002)


   

5,7-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one

5,7-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one

C13H14O5 (250.08411940000002)


   

3-[(2e)-3-carboxy-3-methylprop-2-en-1-yl]-4-methoxybenzoic acid

3-[(2e)-3-carboxy-3-methylprop-2-en-1-yl]-4-methoxybenzoic acid

C13H14O5 (250.08411940000002)


   

8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one

8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

12-methyl-6,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,8,11,13(17),15-heptaen-5-one

12-methyl-6,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,8,11,13(17),15-heptaen-5-one

C16H10O3 (250.062991)


   

5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

[(2s)-3,3-dimethyloxiran-2-yl]methyl 2h-1,3-benzodioxole-5-carboxylate

[(2s)-3,3-dimethyloxiran-2-yl]methyl 2h-1,3-benzodioxole-5-carboxylate

C13H14O5 (250.08411940000002)


   

2-hydroxy-6-(3-hydroxypropanoyl)-3-methylpteridin-4-one

2-hydroxy-6-(3-hydroxypropanoyl)-3-methylpteridin-4-one

C10H10N4O4 (250.070202)


   

(11z)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(11z)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(6r)-6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one

(6r)-6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one

C13H14O5 (250.08411940000002)


   
   

(3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-3,4-dimethyloxolan-2-one

(3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-3,4-dimethyloxolan-2-one

C13H14O5 (250.08411940000002)


   

(1s,4s,5r,6s,7r,9r,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

(1s,4s,5r,6s,7r,9r,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

7-hydroxy-5-(hydroxymethyl)-2-[(2s)-2-hydroxypropyl]chromen-4-one

7-hydroxy-5-(hydroxymethyl)-2-[(2s)-2-hydroxypropyl]chromen-4-one

C13H14O5 (250.08411940000002)


   

(1r,4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

(1r,4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one

C13H14O5 (250.08411940000002)


   

(3ar,5r,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

(3ar,5r,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

C13H14O5 (250.08411940000002)


   

(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one

(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one

C13H14O5 (250.08411940000002)


   

7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

C13H14O5 (250.08411940000002)


   

(4s,6s,9r)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

(4s,6s,9r)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

6,8-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one

6,8-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one

C13H14O5 (250.08411940000002)


   

(4s)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

(4s)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

(1s,5r,7r,8s,9r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

(1s,5r,7r,8s,9r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

C13H14O5 (250.08411940000002)


   

(4s,5r,6s,10s)-4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione

(4s,5r,6s,10s)-4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione

C13H14O5 (250.08411940000002)


   

methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate

methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate

C13H14O5 (250.08411940000002)


   

6-hydroxy-3-methyl-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

6-hydroxy-3-methyl-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione

C13H14O5 (250.08411940000002)


   

6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),8,10(15),11,13-hexaene-2,7-dione

6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),8,10(15),11,13-hexaene-2,7-dione

C15H10N2O2 (250.07422400000002)


   

8-hydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one

8-hydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one

C13H14O5 (250.08411940000002)


   

(5r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

(5r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

C13H14O5 (250.08411940000002)


   

7-hydroxy-3-(2-hydroxypropyl)-7-methylisochromene-6,8-dione

7-hydroxy-3-(2-hydroxypropyl)-7-methylisochromene-6,8-dione

C13H14O5 (250.08411940000002)


   

methyl 5,7-dihydroxy-2,2-dimethylchromene-6-carboxylate

methyl 5,7-dihydroxy-2,2-dimethylchromene-6-carboxylate

C13H14O5 (250.08411940000002)


   

4-(3,4,5-trimethoxyphenyl)-5h-furan-2-one

4-(3,4,5-trimethoxyphenyl)-5h-furan-2-one

C13H14O5 (250.08411940000002)


   

(3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid

(3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid

C13H14O5 (250.08411940000002)


   

(6-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-8-yl)acetic acid

(6-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-8-yl)acetic acid

C13H14O5 (250.08411940000002)


   

8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid

8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid

C13H14O5 (250.08411940000002)


   

(1s,5s,7s,8r,9s)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

(1s,5s,7s,8r,9s)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

C13H14O5 (250.08411940000002)


   

6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

C15H10N2O2 (250.07422400000002)


   

4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

C13H14O5 (250.08411940000002)


   

(3as,5s,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

(3as,5s,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

C13H14O5 (250.08411940000002)


   

(2e)-5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid

(2e)-5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid

C13H14O5 (250.08411940000002)


   

7,8-dihydroxy-2-[(2s)-2-hydroxypropyl]-5-methylchromen-4-one

7,8-dihydroxy-2-[(2s)-2-hydroxypropyl]-5-methylchromen-4-one

C13H14O5 (250.08411940000002)


   

(3r)-3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

(3r)-3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

C13H14O5 (250.08411940000002)


   

6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one

C13H14O5 (250.08411940000002)


   

7-hydroxy-5-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid

7-hydroxy-5-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid

C13H14O5 (250.08411940000002)


   

(5-hydroxy-7-methoxy-2-methyl-1-benzofuran-3-yl)methyl acetate

(5-hydroxy-7-methoxy-2-methyl-1-benzofuran-3-yl)methyl acetate

C13H14O5 (250.08411940000002)


   

7-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

7-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

C13H14O5 (250.08411940000002)


   

methyl 8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylate

methyl 8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylate

C13H14O5 (250.08411940000002)


   

(1s,4s,5r,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

(1s,4s,5r,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol

C10H15ClO5 (250.06079699999998)


   

5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid

5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid

C13H14O5 (250.08411940000002)


   

12-methyl-4-methylidene-6,13,14-trioxatetracyclo[9.2.1.0³,⁷.0⁸,¹²]tetradecane-5,9-dione

12-methyl-4-methylidene-6,13,14-trioxatetracyclo[9.2.1.0³,⁷.0⁸,¹²]tetradecane-5,9-dione

C13H14O5 (250.08411940000002)


   

2',5-dihydroxy-2'-methyl-3-methylidene-3a,4,5,6a-tetrahydrospiro[cyclopenta[b]furan-6,1'-cyclopentan]-3'-ene-2,5'-dione

2',5-dihydroxy-2'-methyl-3-methylidene-3a,4,5,6a-tetrahydrospiro[cyclopenta[b]furan-6,1'-cyclopentan]-3'-ene-2,5'-dione

C13H14O5 (250.08411940000002)


   

3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

(2r,3r,3as,7r,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

(2r,3r,3as,7r,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one

C13H14O5 (250.08411940000002)


   

11-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

11-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C15H10N2O2 (250.07422400000002)


   

methyl 3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoate

methyl 3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoate

C13H14O5 (250.08411940000002)


   

5-hydroxy-7-methoxy-6-(methoxymethyl)-2-methylchromen-4-one

5-hydroxy-7-methoxy-6-(methoxymethyl)-2-methylchromen-4-one

C13H14O5 (250.08411940000002)


   

6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one

6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one

C13H14O5 (250.08411940000002)


   

2,7-dihydroxy-5-methyl-2-(2-oxopropyl)-3h-1-benzopyran-4-one

2,7-dihydroxy-5-methyl-2-(2-oxopropyl)-3h-1-benzopyran-4-one

C13H14O5 (250.08411940000002)