Exact Mass: 268.0956

Exact Mass Matches: 268.0956

Found 196 metabolites which its exact mass value is equals to given mass value 268.0956, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

3-Hydroxybenzo(a)pyrene

pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaen-13-ol

C20H12O (268.0888)


CONFIDENCE standard compound; INTERNAL_ID 45

   

8-Azaadenosine

8-Azaadenosine

C9H12N6O4 (268.092)


   

Pifithrin-Beta

2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole

C16H16N2S (268.1034)


   

2-Hydroxybenzo(a)pyrene

2-Hydroxybenzo(a)pyrene

C20H12O (268.0888)


   

9-Hydroxybenzo[a]pyrene

pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1,3,5,7,9(19),10,12(20),13,15,17-decaen-4-ol

C20H12O (268.0888)


9-Hydroxybenzo[a]pyrene, also known as benzo[Def]chrysen-9-ol or 9-hydroxybenzo(a)Pyrene, 3H-labeled, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 9-Hydroxybenzo[a]pyrene is considered to be practically insoluble (in water) and acidic

   

8-Hydroxybenzo[a]pyrene

8-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

7-Hydroxybenzo(a)pyrene

7-Hydroxybenzo(a)pyrene

C20H12O (268.0888)


   

5-Hydroxybenzo(a)pyrene

5-Hydroxybenzo(a)pyrene

C20H12O (268.0888)


   

4-Hydroxybenzo[a]pyrene

4-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

12-Hydroxybenzo[a]pyrene

12-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

11-Hydroxybenzo[a]pyrene

11-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

10-Hydroxybenzo[a]pyrene

10-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

6-Hydroxybenzo[a]pyrene

6-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

Benzo[a]pyrene-9,10-oxide

4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene

C20H12O (268.0888)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Benzo[a]pyrene-7,8-oxide

6-oxahexacyclo[11.6.2.0²,⁸.0⁵,⁷.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1,3,8,10(20),11,13(21),14,16,18-nonaene

C20H12O (268.0888)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Benzo[a]pyrene-4,5-oxide

18-oxahexacyclo[10.7.2.0³,⁸.0⁹,²⁰.0¹⁶,²¹.0¹⁷,¹⁹]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene

C20H12O (268.0888)


This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. D009676 - Noxae > D002273 - Carcinogens

   

Benzo[a]pyrene-11,12-epoxide

Benzo[a]pyrene-11,12-epoxide

C20H12O (268.0888)


   

DISPERSE BLUE 1

1,4,5,8-Tetraamino-9,10-anthracenedione

C14H12N4O2 (268.096)


D004396 - Coloring Agents

   

Moclobemide

4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

C13H17ClN2O2 (268.0978)


Moclobemide is only found in individuals that have used or taken this drug. It is a reversible monoamine oxidase inhibitor (MAOI) selective for isoform A (RIMA) used to treat major depressive disorder.The mechanism of action of moclobemide involves the selective, reversible inhibition of MAO-A. This inhibition leads to a decrease in the metabolism and destruction of monoamines in the neurotransmitters. This results in an increase in the monoamines, relieving depressive symptoms. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AG - Monoamine oxidase a inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

   

Cysteinyl-Phenylalanine

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

C12H16N2O3S (268.0882)


Cysteinyl-Phenylalanine is a dipeptide composed of cysteine and phenylalanine. 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.

   

Phenylalanylcysteine

(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanoic acid

C12H16N2O3S (268.0882)


Phenylalanylcysteine is a dipeptide composed of phenylalanine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

4-O,6-O-Benzylidene-alpha-D-glucopyranose

2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-6,7,8-triol

C13H16O6 (268.0947)


4,6-benzylidene-d-glucose, also known as benzylidene glucopyranose, is a member of the class of compounds known as pyranodioxins. Pyranodioxins are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. 4,6-benzylidene-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 4,6-benzylidene-d-glucose can be found in fig, which makes 4,6-benzylidene-d-glucose a potential biomarker for the consumption of this food product.

   

Clomoxir

Sodium 2-(5-(4-chlorophenyl)pentyl)oxirane-2-carboxylate

C14H17ClO3 (268.0866)


C471 - Enzyme Inhibitor

   

Phospho-ibuprofen

2-(4-Isobutylphenyl)propionic acid 4-(diethoxyphosphoryloxy)butyl ester

C13H17O4P (268.0864)


   

9-(2-Aminopurin-9-yl)purin-2-amine

9-(2-Aminopurin-9-yl)purin-2-amine

C10H8N10 (268.0933)


   

Cedazuridine

(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

C9H14F2N2O5 (268.0871)


   

1,6,8-Trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid

1,6,8-Trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid

C13H16O6 (268.0947)


   

9,10-Epoxy-3-methoxy-3-epiradicinol

(-)-9,10-Epoxy-3-methoxy-3-epiradicinol

C13H16O6 (268.0947)


   

4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one

NCGC00385513-01!4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one

C13H16O6 (268.0947)


   

Botryolide C

Botryolide C

C13H16O6 (268.0947)


   

6-(tert-butylsulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-(tert-butylsulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C11H16N4O2S (268.0994)


   

Feruloyl glycerol

Feruloyl glycerol

C13H16O6 (268.0947)


   
   

1-O-Benzoyl-alpha-L-rhamnopyranoside

1-O-Benzoyl-alpha-L-rhamnopyranoside

C13H16O6 (268.0947)


   
   

3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone|3-O-Ethyl-cyclopolsaeure|3-O-Ethylcyclopolsaeure

3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone|3-O-Ethyl-cyclopolsaeure|3-O-Ethylcyclopolsaeure

C13H16O6 (268.0947)


   

SCHEMBL2120658

SCHEMBL2120658

C13H16O6 (268.0947)


   

5H-Indolo(2,3-c)acridine

5H-Indolo(2,3-c)acridine

C19H12N2 (268.1)


   

Patagonaldehyd|Patagonaldehyde

Patagonaldehyd|Patagonaldehyde

C13H16O6 (268.0947)


   

methyl 4-methoxy-3-(3-hydroxy-2-methyl)propionyloxy-benzoate

methyl 4-methoxy-3-(3-hydroxy-2-methyl)propionyloxy-benzoate

C13H16O6 (268.0947)


   

(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-7-(1-hydroxyethyl)-6-methoxynaphthalen-1(2H)-one|botryosphaerone A

(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-7-(1-hydroxyethyl)-6-methoxynaphthalen-1(2H)-one|botryosphaerone A

C13H16O6 (268.0947)


   

(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(2-hydroxyethyl)naphthalen-1(2H)-one|botryosphaerone B

(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(2-hydroxyethyl)naphthalen-1(2H)-one|botryosphaerone B

C13H16O6 (268.0947)


   

speciosin O

speciosin O

C13H16O6 (268.0947)


   

cordifoliketone A

cordifoliketone A

C13H16O6 (268.0947)


   

microsphaerophthalide F

microsphaerophthalide F

C13H16O6 (268.0947)


   

Acremonone D

Acremonone D

C13H16O6 (268.0947)


   

3,4-dihydroxyphenethyl-5-hydroxy-4-oxopentanoate

3,4-dihydroxyphenethyl-5-hydroxy-4-oxopentanoate

C13H16O6 (268.0947)


   

4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzaldehyde

4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzaldehyde

C13H16O6 (268.0947)


   

Acremonone C

Acremonone C

C13H16O6 (268.0947)


   

feddeiketone A

feddeiketone A

C13H16O6 (268.0947)


   

multiforisin H

multiforisin H

C13H16O6 (268.0947)


   
   

Di-Me ester-(R)-2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

Di-Me ester-(R)-2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

C13H16O6 (268.0947)


   

moclobemide

moclobemide

C13H17ClN2O2 (268.0978)


N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AG - Monoamine oxidase a inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2279 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2675

   

7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

NCGC00381028-01!7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C13H16O6 (268.0947)


   

Ctrinin hydrate

Citrinin hydrate

C13H16O6 (268.0947)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium improvisum, Penicillium verrucosum

   

7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one [IIN-based: Match]

NCGC00381028-01!7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one [IIN-based: Match]

C13H16O6 (268.0947)


   

1-o-p-coumaroylglycerol

1-o-p-coumaroylglycerol

C13H16O6 (268.0947)


   
   
   

Idebenone Metabolite (QS-4)

Idebenone Metabolite (QS-4)

C13H16O6 (268.0947)


   

Cys-phe

2-(2-amino-3-phenylpropanamido)-3-sulfanylpropanoic acid

C12H16N2O3S (268.0882)


   

Phe-cys

2-(2-amino-3-sulfanylpropanamido)-3-phenylpropanoic acid

C12H16N2O3S (268.0882)


   

diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate

C13H16O6 (268.0947)


   
   

9-methyl-acenaphtho[1,2-b]quinoxaline

9-methyl-acenaphtho[1,2-b]quinoxaline

C19H12N2 (268.1)


   

4-(4-formyl-3,5-dimethoxyphenoxy)butyric acid

4-(4-formyl-3,5-dimethoxyphenoxy)butyric acid

C13H16O6 (268.0947)


   

METHYL 3-CHLORO-4-(4-METHYLPIPERAZINO)BENZOATE

METHYL 3-CHLORO-4-(4-METHYLPIPERAZINO)BENZOATE

C13H17ClN2O2 (268.0978)


   

2-Chloro-5-Methoxyphenylboronic acid pinacol ester

2-Chloro-5-Methoxyphenylboronic acid pinacol ester

C13H18BClO3 (268.1037)


   

H-Cys(Bzl)-Gly-OH

H-Cys(Bzl)-Gly-OH

C12H16N2O3S (268.0882)


   

4,6-o-benzylidene-d-galactose

4,6-o-benzylidene-d-galactose

C13H16O6 (268.0947)


   

4,6-O-Benzylidene-D-glucopyranose

4,6-O-Benzylidene-D-glucopyranose

C13H16O6 (268.0947)


   

2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BClO3 (268.1037)


   

METHYL 5-(4,4,5-TRIMETHYL-[1,3,2]DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE

METHYL 5-(4,4,5-TRIMETHYL-[1,3,2]DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE

C12H17BO4S (268.0941)


   

tert-Butyl 3-allyl-4-chloropyridin-2-ylcarbamate

tert-Butyl 3-allyl-4-chloropyridin-2-ylcarbamate

C13H17ClN2O2 (268.0978)


   

1-[2-AMINO-1-(2-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID

1-[2-AMINO-1-(2-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID

C13H17ClN2O2 (268.0978)


   

1-[2-AMINO-1-(4-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID

1-[2-AMINO-1-(4-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID

C13H17ClN2O2 (268.0978)


   

N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

C16H16N2S (268.1034)


   

4-Cyclohexene-1, 2-dicarboxylic acid, mono[2-[(1-oxo-2-propenyl)oxy]-ethyl]ester

4-Cyclohexene-1, 2-dicarboxylic acid, mono[2-[(1-oxo-2-propenyl)oxy]-ethyl]ester

C13H16O6 (268.0947)


   

Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate

Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate

C12H17BO4S (268.0941)


   
   

dimethyl 2-[(4-hydroxyphenyl)methyl]-2-methoxypropanedioate

dimethyl 2-[(4-hydroxyphenyl)methyl]-2-methoxypropanedioate

C13H16O6 (268.0947)


   

2-Chloro-3-(hydroxymethyl)phenylboronic acid pinacol ester

2-Chloro-3-(hydroxymethyl)phenylboronic acid pinacol ester

C13H18BClO3 (268.1037)


   

4,6-O-Benzylidene-D-glucal

4,6-O-Benzylidene-D-glucal

C13H16O6 (268.0947)


   

6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

C12H16N2O3S (268.0882)


   

2-Methoxycarbonylthiophene-3-boronic acid pinacol ester

2-Methoxycarbonylthiophene-3-boronic acid pinacol ester

C12H17BO4S (268.0941)


   

Trimethylsilyl Diethylphosphonoacetate

Trimethylsilyl Diethylphosphonoacetate

C9H21O5PSi (268.0896)


   

Ethyl tryptophanate hydrochloride (1:1)

Ethyl tryptophanate hydrochloride (1:1)

C13H17ClN2O2 (268.0978)


   

ethyl 2-chloro-5-piperazin-1-ylbenzoate

ethyl 2-chloro-5-piperazin-1-ylbenzoate

C13H17ClN2O2 (268.0978)


   

tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

C13H17ClN2O2 (268.0978)


   

2-(2-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

2-(2-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

C13H18BClO3 (268.1037)


   

2-(4-(4-CHLOROBUTANOYL)PHENYL)-2-METHYLPROPANOIC ACID

2-(4-(4-CHLOROBUTANOYL)PHENYL)-2-METHYLPROPANOIC ACID

C14H17ClO3 (268.0866)


   

TERT-BUTYL 3-CHLORO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE

TERT-BUTYL 3-CHLORO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE

C13H17ClN2O2 (268.0978)


   

3-oxo-3-(3,4,5-trimethoxyphenyl)propionic acid methyl ester

3-oxo-3-(3,4,5-trimethoxyphenyl)propionic acid methyl ester

C13H16O6 (268.0947)


   

1-(4,6-Dihydrothieno[3,4-b]thiophen-2-yl)-2-ethylhexan-1-one

1-(4,6-Dihydrothieno[3,4-b]thiophen-2-yl)-2-ethylhexan-1-one

C14H20OS2 (268.0956)


   

3-oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester

3-oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester

C13H16O6 (268.0947)


   

2-(5-aminopentyl)isoindole-1,3-dione

2-(5-aminopentyl)isoindole-1,3-dione

C13H17ClN2O2 (268.0978)


   

2,6-DIPHENYL-TETRAHYDRO-THIOPYRAN-4-ONE

2,6-DIPHENYL-TETRAHYDRO-THIOPYRAN-4-ONE

C17H16OS (268.0922)


   

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

C12H17BO4S (268.0941)


   

7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

C11H16N4O2S (268.0994)


   

methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate,hydrochloride

methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate,hydrochloride

C13H17ClN2O2 (268.0978)


   

2,4-Diethyl-thioxanthen-9-one

2,4-Diethyl-thioxanthen-9-one

C17H16OS (268.0922)


   

1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[(p-tolyl)azo]nicotinonitrile

1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[(p-tolyl)azo]nicotinonitrile

C14H12N4O2 (268.096)


   

2-(2-OXO-2-(PIPERIDIN-1-YL)ETHYLTHIO)-6-AMINOPYRIMIDIN-4(1H)-ONE

2-(2-OXO-2-(PIPERIDIN-1-YL)ETHYLTHIO)-6-AMINOPYRIMIDIN-4(1H)-ONE

C11H16N4O2S (268.0994)


   

2-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C12H17BO4S (268.0941)


   

1-(PIPERIDIN-4-YL)-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE HYDROCHLORIDE

1-(PIPERIDIN-4-YL)-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE HYDROCHLORIDE

C13H17ClN2O2 (268.0978)


   

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol

C13H18BClO3 (268.1037)


   
   

(2-chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)Methanol

(2-chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)Methanol

C13H18BClO3 (268.1037)


   

4-Hydroxybenzaldehyde rhamnoside

4-Hydroxybenzaldehyde rhamnoside

C13H16O6 (268.0947)


   

TERT-BUTYL 2-FORMYL-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE

TERT-BUTYL 2-FORMYL-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE

C12H16N2O3S (268.0882)


   

4-Methylcatecholdimethylacetate

4-Methylcatecholdimethylacetate

C13H16O6 (268.0947)


   

Amifostine trihydrate

Amifostine trihydrate

C5H21N2O6PS (268.0858)


C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine trihydrate (WR2721 trihydrate) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine trihydrate selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine trihydrate is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine trihydrate protects cells from damage by scavenging oxygen-derived free radicals. Amifostine trihydrate reduces renal toxicity and has antiangiogenic action[1][2][3][4].

   
   

5-(MORPHOLIN-4-YLSULFONYL)INDOLINE

5-(MORPHOLIN-4-YLSULFONYL)INDOLINE

C12H16N2O3S (268.0882)


   

2-(3-Chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-Chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BClO3 (268.1037)


   

2-(4-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BClO3 (268.1037)


   
   

Tolpyrramide

Tolpyrramide

C12H16N2O3S (268.0882)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent

   

Cedazuridine

Cedazuridine

C9H14F2N2O5 (268.0871)


C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor

   

alpha-D-glucopyranose, 4,6-O-(phenylmethylene)-

alpha-D-glucopyranose, 4,6-O-(phenylmethylene)-

C13H16O6 (268.0947)


   

Essramycin

Essramycin

C14H12N4O2 (268.096)


A natural product found in Streptomyces species.

   

L-Cysteinyl-L-phenylalanine

L-Cysteinyl-L-phenylalanine

C12H16N2O3S (268.0882)


   

Dimethyl (3,4-dimethoxyphenyl)propanedioate

Dimethyl (3,4-dimethoxyphenyl)propanedioate

C13H16O6 (268.0947)


   

4-Hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one

4-Hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one

C13H16O6 (268.0947)


   

S-benzyl-L-cysteinylglycine

S-benzyl-L-cysteinylglycine

C12H16N2O3S (268.0882)


   

5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolane-3-carboxylic acid

5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolane-3-carboxylic acid

C13H16O6 (268.0947)


   

Glyceryl ferulate

Glyceryl ferulate

C13H16O6 (268.0947)


   
   

globosumone B

globosumone B

C13H16O6 (268.0947)


A benzoate ester obtained by the formal condensation of o-orsellinic acid with (4S)-1,4-dihydroxypentan-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.

   

N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide

N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide

C16H13FN2O (268.1012)


   

5-[(2-Fluoroanilino)methyl]-8-quinolinol

5-[(2-Fluoroanilino)methyl]-8-quinolinol

C16H13FN2O (268.1012)


   

1-(3-Hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone

1-(3-Hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone

C12H16N2O3S (268.0882)


   

5-[(3-Fluoroanilino)methyl]-8-quinolinol

5-[(3-Fluoroanilino)methyl]-8-quinolinol

C16H13FN2O (268.1012)


   

Syringyl alcohol diacetate

Syringyl alcohol diacetate

C13H16O6 (268.0947)


   

(2S)-2-benzamido-3-phenylpropanoate

(2S)-2-benzamido-3-phenylpropanoate

C16H14NO3- (268.0974)


   

7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C13H16O6 (268.0947)


   

Benzo(a)pyrene-11,12-epoxide

Benzo(a)pyrene-11,12-epoxide

C20H12O (268.0888)


   

Benzo[a]pyrene-4,5-oxide

Benzo[a]pyrene-4,5-epoxide

C20H12O (268.0888)


D009676 - Noxae > D002273 - Carcinogens

   

9-Hydroxybenzo[a]pyrene

9-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

3-Hydroxybenzo[a]pyrene

3-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

Benzo[a]pyrene-7,8-oxide

Benzo[a]pyrene-7,8-epoxide

C20H12O (268.0888)


   

Cysteinyl-Phenylalanine

Cysteinyl-Phenylalanine

C12H16N2O3S (268.0882)


   

Benzo[a]pyrene-9,10-oxide

Benzo[a]pyrene-9,10-epoxide

C20H12O (268.0888)


   

Phenylalanylcysteine

Phenylalanylcysteine

C12H16N2O3S (268.0882)


   

1-feruloyl-sn-glycerol

1-feruloyl-sn-glycerol

C13H16O6 (268.0947)


An enoate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with the 1-hydroxy group of glycerol.

   
   

Azaadenosine

Azaadenosine

C9H12N6O4 (268.092)


   

2,3-dihydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2,3-dihydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O6 (268.0947)


   

(3s,4r,5s)-4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one

(3s,4r,5s)-4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one

C13H16O6 (268.0947)


   

4,8-dihydroxy-4-(1-hydroxyethyl)-6-methoxy-5-methyl-3h-2-benzopyran-1-one

4,8-dihydroxy-4-(1-hydroxyethyl)-6-methoxy-5-methyl-3h-2-benzopyran-1-one

C13H16O6 (268.0947)


   

(3s,4s)-3,4,8-trihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(3s,4s)-3,4,8-trihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O6 (268.0947)


   

methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate

methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate

C13H16O6 (268.0947)


   

1-o-coumaroylglycerol; (±)-(e)-form,3'-methoxy

NA

C13H16O6 (268.0947)


{"Ingredient_id": "HBIN002867","Ingredient_name": "1-o-coumaroylglycerol; (±)-(e)-form,3'-methoxy","Alias": "NA","Ingredient_formula": "C13H16O6","Ingredient_Smile": "NA","Ingredient_weight": "268.26","OB_score": "NA","CAS_id": "108026-20-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9141","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

(1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

C13H16O6 (268.0947)


   

4-hydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate

4-hydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate

C13H16O6 (268.0947)


   

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(2s,3s)-3-methyloxiran-2-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(2s,3s)-3-methyloxiran-2-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O6 (268.0947)


   

2,3-dihydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2,3-dihydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O6 (268.0947)


   

(1r,2z,4r,4'r,8r,10s)-4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

(1r,2z,4r,4'r,8r,10s)-4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

C13H16O6 (268.0947)


   

(4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

(4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

C13H16O6 (268.0947)


   

5-hydroxy-3,7-dimethoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one

5-hydroxy-3,7-dimethoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one

C13H16O6 (268.0947)


   

[5-(hydroxymethyl)-4-methoxy-2-oxo-6-[(1e)-prop-1-en-1-yl]pyran-3-yl]methyl acetate

[5-(hydroxymethyl)-4-methoxy-2-oxo-6-[(1e)-prop-1-en-1-yl]pyran-3-yl]methyl acetate

C13H16O6 (268.0947)


   

(2e)-3-(3-hydroxy-2,4,5,6-tetramethoxyphenyl)prop-2-enal

(2e)-3-(3-hydroxy-2,4,5,6-tetramethoxyphenyl)prop-2-enal

C13H16O6 (268.0947)


   

2-hydroxyethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

2-hydroxyethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C13H16O6 (268.0947)


   

(1r,2e,4r,4'r,8r,10s)-4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

(1r,2e,4r,4'r,8r,10s)-4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

C13H16O6 (268.0947)


   

9-hydroxybenzo(a)pyrene

9-hydroxybenzo(a)pyrene

C20H12O (268.0888)


   

3-(3-hydroxy-2,4,5,6-tetramethoxyphenyl)prop-2-enal

3-(3-hydroxy-2,4,5,6-tetramethoxyphenyl)prop-2-enal

C13H16O6 (268.0947)


   

(2r)-2,3-dihydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r)-2,3-dihydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O6 (268.0947)


   

3-hydroxy-4-methoxy-2-methyl-7-(3-methyloxiran-2-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

3-hydroxy-4-methoxy-2-methyl-7-(3-methyloxiran-2-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O6 (268.0947)


   

3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

C13H16O6 (268.0947)


   

3-ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

3-ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

C13H16O6 (268.0947)


   

4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

4'-hydroxy-8-methyl-7,11-dioxaspiro[bicyclo[8.1.0]undecane-4,2'-oxolan]-2-ene-5',6-dione

C13H16O6 (268.0947)


   

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(2s,3r)-3-methyloxiran-2-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(2s,3r)-3-methyloxiran-2-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O6 (268.0947)


   

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

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

C13H16O6 (268.0947)


   

4-{2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-hydroxy-2-methylbut-3-yn-1-yl acetate

4-{2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-hydroxy-2-methylbut-3-yn-1-yl acetate

C13H16O6 (268.0947)


   

(3r)-3-ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

(3r)-3-ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

C13H16O6 (268.0947)


   

methyl (1r,4as,7as)-7-[(acetyloxy)methyl]-1-hydroxy-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1r,4as,7as)-7-[(acetyloxy)methyl]-1-hydroxy-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

C13H16O6 (268.0947)


   

3-(2-hydroxy-4,5-dimethoxyphenyl)-3-oxopropyl acetate

3-(2-hydroxy-4,5-dimethoxyphenyl)-3-oxopropyl acetate

C13H16O6 (268.0947)


   

(2s,4s,5s)-4-[(1e,3e,5e)-6-carboxyhexa-1,3,5-trien-1-yl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid

(2s,4s,5s)-4-[(1e,3e,5e)-6-carboxyhexa-1,3,5-trien-1-yl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid

C13H16O6 (268.0947)


   

4-(6-carboxyhexa-1,3,5-trien-1-yl)-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid

4-(6-carboxyhexa-1,3,5-trien-1-yl)-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid

C13H16O6 (268.0947)


   

2-hydroxyethyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

2-hydroxyethyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C13H16O6 (268.0947)


   

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

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

C13H16O6 (268.0947)


   

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

C13H16O6 (268.0947)


   

4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one

4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one

C13H16O6 (268.0947)


   

(3s)-5-hydroxy-3,7-dimethoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one

(3s)-5-hydroxy-3,7-dimethoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one

C13H16O6 (268.0947)


   

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

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

C13H16O6 (268.0947)


   

[5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(1e)-prop-1-en-1-yl]pyran-3-yl]methyl acetate

[5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(1e)-prop-1-en-1-yl]pyran-3-yl]methyl acetate

C13H16O6 (268.0947)


   

(3s,4s)-3,4,8-trihydroxy-7-[(1r)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(3s,4s)-3,4,8-trihydroxy-7-[(1r)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O6 (268.0947)


   

(4r,5r)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

(4r,5r)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

C13H16O6 (268.0947)


   

(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl benzoate

C13H16O6 (268.0947)


   

[5-(hydroxymethyl)-4-methoxy-2-oxo-6-(prop-1-en-1-yl)pyran-3-yl]methyl acetate

[5-(hydroxymethyl)-4-methoxy-2-oxo-6-(prop-1-en-1-yl)pyran-3-yl]methyl acetate

C13H16O6 (268.0947)


   

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

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

C13H16O6 (268.0947)


   

[5-(hydroxymethyl)-4-methoxy-6-oxo-2-(prop-1-en-1-yl)pyran-3-yl]methyl acetate

[5-(hydroxymethyl)-4-methoxy-6-oxo-2-(prop-1-en-1-yl)pyran-3-yl]methyl acetate

C13H16O6 (268.0947)


   

4-[(1s,2s,5s,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-hydroxy-2-methylbut-3-yn-1-yl acetate

4-[(1s,2s,5s,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-hydroxy-2-methylbut-3-yn-1-yl acetate

C13H16O6 (268.0947)


   

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-(3-methyloxiran-2-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-(3-methyloxiran-2-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O6 (268.0947)