Exact Mass: 156.0534898

3-Indoleacetonitrile is a phytoalexin. Phytoalexins are antibiotics produced by plants that are under attack. Phytoalexins tend to fall into several classes including terpenoids, glycosteroids, and alkaloids; however, researchers often find it convenient to extend the definition to include all phytochemicals that are part of the plants defensive arsenal. Phytoalexins produced in plants act as toxins to the attacking organism. They may puncture the cell wall, delay maturation, disrupt metabolism, or prevent the reproduction of the pathogen in question. However, phytoalexins are often targeted to specific predators; a plant that has anti-insect phytoalexins may not have the ability to repel a fungal attack. 3-Indoleacetonitrile is common in cruciferous vegetables such as cabbage, cauliflower, broccoli, and Brussels sprouts. Dietary indoles in cruciferous vegetables induce cytochrome P450 enzymes and have prevented tumours in various animal models. Consumption of Brassica vegetables is associated with a reduced risk of cancer of the alimentary tract in animal models and human populations (PMID:15612779, 15884814, 2342128, 3014947, 3880668, 6334634, 6419397, 6426808, 6584878, 6725517, 6838646, 7123561). Myrosinase-induced hydrolysis product of indole glucosinolates, found in cabbage and other crucifers Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID I022 3-Indoleacetonitrile is an endogenous metabolite. 3-Indoleacetonitrile is an endogenous metabolite.

Imidazole lactic acid

(S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid

KEIO_ID I053

2,3-dihydroxy-2,3-dihydrobenzoic acid

(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

4-Imidazolone-5-propionic acid

(S)-3-(5-oxo-4,5-Dihydro-3H-imidazol-4-yl)propanoic acid

4-Imidazolone-5-propanoate is a metabolite of histidine metabolism. It is produced from urocanic acid by the enzyme urocanate hydratase [EC:4.2.1.49]. 4-Imidazolone-5-propionic acid can spontaneously decay to 4-oxoglutaramate or formylisoglutamine. It is also converted to N-forminimo-L-glutamate by the enzyme imidazolonepropionase [EC:3.5.2.7]. [HMDB] 4-Imidazolone-5-propanoate is a metabolite of histidine metabolism. It is produced from urocanic acid by the enzyme urocanate hydratase [EC:4.2.1.49]. 4-Imidazolone-5-propionic acid can spontaneously decay to 4-oxoglutaramate or formylisoglutamine. It is also converted to N-forminimo-L-glutamate by the enzyme imidazolonepropionase [EC:3.5.2.7].

3-Methyl-cis,cis-muconate

3-Methyl-cis,cis-hexadienedioate

3-Methylmuconolactone

4-Carboxymethyl-3-methylbut-2-en-1,4-olide

4-Methylmuconolactone

4-Carboxymethyl-4-methylbut-2-en-1,4-olide

60463-06-1

1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate

2-Hydroxy-6-keto-2,4-heptadienoate

2-Hydroxy-6-oxo-2,4-heptadienoic acid

N-Ethylammelide

2,4-Dihydroxy-6-(N-ethyl)amino-1,3,5-triazine

2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde

(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate

Triazolealanine

1H-1,2,4-Triazole-5-propanoicacid, a-amino-

Thio-THIP

Thio-4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol

1-Naphthaldehyde

1-Naphthalenecarboxaldehyde

1-naphthaldehyde, also known as alpha-naphthal or 1-formylnaphthalene, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-naphthaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-naphthaldehyde can be found in a number of food items such as black crowberry, devilfish, other soy product, and chinese bayberry, which makes 1-naphthaldehyde a potential biomarker for the consumption of these food products. This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

2-Naphthaldehyde

2-Naphthalenecarboxaldehyde

This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Chloroxylenol

2-Chloro-5-hydroxy-1,3-dimethylbenzene

4-methyl-3-oxoadipate-enol-lactone

N-NITROSOGUVACINE

3,4-Dihydro-3,4-dihydroxybenzoic acid

(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid

Imidazole lactate

2-Hydroxy-3-(1H-imidazol-1-yl)propanoic acid

Imidazolelactic acid is the component of normal human urine. (PMID: 5856262). histidine loading causes an increase in the excretion of imidazolelactic acid. (PMID: 6021220). During pregnancy the values for imidazolelactic acid in urine is increased 3-fold. An interaction of allergic reactions and anomalies in the metabolism of the sex hormones are considered to form the basis of the pregnancy-specific illnesses that were studied. (PMID: 5789877). Urinary excretion of imidazolelactic acid is also an indication for folic acid and vitamin B12 deficiency. (PMID: 4645251). Imidazolelactic acid is the component of normal human urine. (PMID: 5856262)

2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid

2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid

cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate

(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid

2-Phenylpyrimidine

2-Methoxybenzene-1,3,5-triol

5-Hydroxymethyl-4-methyluracil

5-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

5-Hydroxymethyl-6-methyl- 2,4-(1H,3H)-pyrimidinedione. Uracil derivative used in combination with toxic antibiotics to lessen their toxicity; also to stimulate leukopoiesis and immunity. [HMDB] 5-Hydroxymethyl-6-methyl- 2,4-(1H,3H)-pyrimidinedione. Uracil derivative used in combination with toxic antibiotics to lessen their toxicity; also to stimulate leukopoiesis and immunity.

Ascladiol

(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)-2,5-dihydrofuran-2-one

Ascladiol is found in cereals and cereal products. Toxin from Aspergillus clavatus in wheat flou

2-[(Isopropylthio)methyl]furan

2-[[(1-Methylethyl)thio]methyl]furan, 9ci

C8H12OS (156.0608822)

2-[(Isopropylthio)methyl]furan is a flavouring ingredien Flavouring ingredient

2,3-Methyleneglutaric acid

2,3-dimethylidenepentanedioic acid

2,3-Methyleneglutaric acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide

5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide is classified as an imidazolyl carboxylic acid or an Imidazolyl carboxylic acid derivative. Imidazolyl carboxylic acids are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide is considered to be soluble (in water) and acidic

1,5-Dimethylbarbituric acid

1,5-dimethyl-1,3-diazinane-2,4,6-trione

2,2'-Bipyridine

alpha,Alpha-bipyridine

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents

4-Methoxybenzyl chloride

1-(chloromethyl)-4-methoxybenzene

4,4'-Bipyridine

4,4-Bipyridyl dihydrochloride

2,3-BIPYRIDINE

alpha,beta-Dipyridyl

Deoxypatulinic acid

2,3-Dihydro-4-pyrone-5-acetic acid

2,3-Dihydro-2,3-dihydroxybenzoic acid

2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

2-(methylthio)pyrimidine-4,6-diamine

4,4-Bipyridine

CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1413; ORIGINAL_PRECURSOR_SCAN_NO 1412 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1401; ORIGINAL_PRECURSOR_SCAN_NO 1400 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1408; ORIGINAL_PRECURSOR_SCAN_NO 1407 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1402; ORIGINAL_PRECURSOR_SCAN_NO 1401 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1420; ORIGINAL_PRECURSOR_SCAN_NO 1418 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1403; ORIGINAL_PRECURSOR_SCAN_NO 1401

1,3-Phenylenediacetonitrile

2,2-BIPYRIDINE

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents

C7H8O4

5-methylbenzene-1,2,3,4-tetrol

methyl 2-(5-oxo-2H-furan-2-yl)acetate

SCHEMBL6337951

methyl 4-methyl-5-oxo-2H-furan-3-carboxylate

SCHEMBL11203915

NSC189488

1-Monoamide-5-Amino-2-hexynedioic acid

4(1H)-Pyrimidinone, 2-(ethylthio)-

5-(hydroxymethyl)benzene-1,2,3-triol

ETHYL 2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLATE

SCHEMBL6634501

ZINC14455309

2-hept-1-ene-3,5-diynylfuran|2-[(1E)-hept-1-ene-3,5-diynyl]furan

2-(hydroxymethyl)-5-methoxy-4H-pyran-4-one

CHALOXONE

3-Penta-1,3-diinyl-phenol

Ascladiol

(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)-2,5-dihydrofuran-2-one

1-hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid

Indole-3-acetonitrile

A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. IPB_RECORD: 2661; CONFIDENCE confident structure

3-Indoleacetonitrile

3-Indolylacetonitrile

3-Indoleacetonitrile is an endogenous metabolite. 3-Indoleacetonitrile is an endogenous metabolite.

2,2-Dipyridyl

2,2-BIPYRIDINE

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents CONFIDENCE standard compound; INTERNAL_ID 8162

5-Hydroxymethyl-4-methyluracil

5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione

IRETOL

5,5-DimethylBarbituric Acid

CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4668; ORIGINAL_PRECURSOR_SCAN_NO 4666 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4666; ORIGINAL_PRECURSOR_SCAN_NO 4665 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4689; ORIGINAL_PRECURSOR_SCAN_NO 4687 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4687; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4764; ORIGINAL_PRECURSOR_SCAN_NO 4763 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4679

chloroxylenol

4-chloro-3,5-dimethylphenol

D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004202 - Disinfectants Same as: D03473 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4542; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4530; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4525; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4540; ORIGINAL_PRECURSOR_SCAN_NO 4537 CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4552; ORIGINAL_PRECURSOR_SCAN_NO 4548

1-Imidazolelactic acid

2-hydroxy-3-imidazol-1-yl-propanoic acid

FEMA 3161

2-[[(1-Methylethyl)thio]methyl]furan, 9ci

C8H12OS (156.0608822)

5-ETHYLTHIOPHENE-2-BORONIC ACID

C6H9BO2S (156.0416284)

Spiro[cyclopropane-1,6(7H)-[1H,3H,5H]pyrazolo[1,2-c][1,3,4]thiadiazole] (9CI)

1H-Imidazole-5-carboxylicacid,2-methoxy-1-methyl-(9CI)

3-CYANO-1-METHYLINDOLE

1H-1,2,3-Triazole-4-carboxylic acid,5-amino-,ethyl ester

2-Methyl-6-indolizinecarbonitrile

3-CYANO-7-METHYLINDOLE

3-CYANO-6-METHYLINDOLE

1,6-DIOXASPIRO[4.4]NONANE-2,7-DIONE

2-(4,5-diaminopyrazol-1-yl)acetic acid

5-[hydroxy(methoxy)methylidene]-3-methylimidazol-4-one

1,4-Phenylenediacetonitrile

1-(2-hydroxyethyl)uracil

Ethyl 5-hydroxy-1H-pyrazole-3-carboxylate

m-methoxybenzyl chloride

2-Methyl-1H-indole-3-carbonitrile

5,5,5-Trifluoropentanoic acid

Ethyl 3,3,3-trifluoropropanoate

Phenol,4-(2-chloroethyl)-

2,4-Difluoro-1,3,5-trimethylbenzene

2,6-Difluoro-3-methylbenzaldehyde

2-(4-Methyl-1,3-thiazol-2-yl)acetamide

2-Fluoro-5-nitro-4-picoline

(3-chloro-4-methyl-phenyl)hydrazine

1-Chloro-2-methoxy-4-methylbenzene

1-(PROP-2-YN-1-YL)-1H-BENZO[D]IMIDAZOLE

Thiourea,N,N-di-2-propenyl- (9CI)

Phenol,2-chloro-4,5-dimethyl-

4-Oxazolecarboxylicacid,2-(aminomethyl)-,methylester(9CI)

1-methyl-1H-indole-4-carbonitrile

1-METHYL-1H-INDOLE-4-CARBONITRILE 97

3,3,3-Trifluoro-2,2-dimethylpropanoic acid

(2-Fluoro-3-hydroxyphenyl)boronic acid

5-AMINO-1,3-DIMETHYL-4-NITROPYRAZOLE

3-METHOXY-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine Dihydrochloride

Phenol,4-chloro-2,6-dimethyl-

1-Chloro-2-methoxy-3-methylbenzene

1,2,3-Cyclohexanetrione,1,3-dioxime

(R)-2-CHLORO-1-PHENYLETHANOL

2-trimethylsilyloxyfuran

C7H12O2Si (156.0606532)

6-chloro-2-ethylpyridin-3-amine

1-(2-Furfuryl)-2-thiourea

5-Fluoro-2-nitroaniline

Cyclopent-1-ene-1,2-dicarboxylic acid

2-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID

2,5-Dimethoxypyrimidin-4(3H)-one

Urea,N-[(2,3-dihydro-2-oxo-1H-imidazol-4-yl)methyl]-

(chloromethoxymethyl)benzene

1H-Tetrazole-5-carboxylicacid,1-methyl-,ethylester(9CI)

1-chloro-3-ethoxybenzene

1-METHYL-1H-INDOLE-5-CARBONITRILE

2-Fluoro-3-nitro-4-picoline

2-Fluoro-5-nitro-3-picoline

2-Fluoro-6-methyl-5-nitropyridine

isopropyl trifluoroacetate

BUTANOIC ACID, 2-DIAZO-3-OXO-, ETHYL ESTER

2-fluoro-3-nitroaniline

2-Thiopheneaceticacid, hydrazide

5-Chloro-3-methyl-1,2-benzenediamine

(2-Fluoro-5-hydroxyphenyl)boronic acid

ETHYL 3-AMINOISOXAZOLE-5-CARBOXYLATE

4-CHLORO-5-ISOPROPYLPYRIMIDINE

(1R)-1-(2-Chlorophenyl)ethanol

(2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL

2-(4-Chlorophenyl)ethanol

5-(aminomethyl)-2-chloroaniline

1H-Imidazole-4-carboxylicacid,1-(2-hydroxyethyl)-(9CI)

Benzimidamide hydrochloride

1H-Cyclopenta[e]pyrrolo[1,2-a]pyrazine (9CI)

poly(melamine-co-formaldehyde), butylated

C4H8N6O (156.0759558)

2-(aminomethyl)-4-chloroaniline

1,3-dimethylbarbituric acid

Benzyl chloromethyl ether

2-Chloro-1-methoxy-4-methylbenzene

(4-fluoro-2-methoxyphenyl)methanol

(2-Fluoro-5-methoxyphenyl)methanol

2-chloro-5-ethylphenol

2-Chloro-5-methoxytoluene

anisole, 5-chloro-2-methyl-

1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-, ethyl ester

Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate

(2-Chloroethoxy)benzene

3-Isoxazolecarboxylic acid,5-amino-,ethylester

5-Ethynyl-3-methyl-1H-indazole

4-(Ethylthio)-1,3,5-triazin-2-amine

4-Chloro-6-ethyl-2-methylpyrimidine

5-Hydroxymethyl-1H-imidazole-4-carboxylic acid methyl ester

Ethyl 3-oxo-1,2-dihydropyrazole-4-carboxylate

(1-BENZYL-1H-IMIDAZOL-2-YL)METHYLAMINE

2-Amino-5-fluoronicotinic acid

Methyl 4-hydroxy(2H4)benzoate

C8H4D4O3 (156.072450512)

4-fluoro-2-nitroaniline

3-chloro-2-N-methylbenzene-1,2-diamine

3-ISOPROPYL-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID

3-Methyl-1H-indole-5-carbonitrile

5,6-dimethyl-2-Thiouracil

1H-Imidazole-4-carboxylicacid,5-ethyl-2,3-dihydro-2-oxo-(9CI)

3-Fluoro-4-nitroaniline

1H-Imidazole,2-[(ethylthio)methyl]-1-methyl-(9CI)

1-FLUORO-2,3-DIMETHOXYBENZENE

1-Chloro-4-ethoxybenzene

1-(4-Chlorophenyl)ethanol

1-(3-Chlorophenyl)-1-ethanol

1-(2-Chlorophenyl)-1-ethanol

2-methoxybenzylchloride

(4-Fluoro-2-hydroxyphenyl)boronic acid

4-Fluoroveratrole

1-Cyclohexene-1-carboxylicacid,4-hydroxy-3-oxo-,(S)-(9CI)

(3-chloro-2-methylphenyl)hydrazine

3,5-Difluoroacetophenone

5-Phenylpyrimidine

4-Chloro-3-ethylphenol

2-Thienyltrimethylsilane

Trimethyl(2-thienyl)silane

C7H12SSi (156.04289519999998)

2-FLUORO-3-METHOXYBENZYL ALCOHOL

N-(5-methyl-1,3-thiazol-2-yl)acetamide

6-hydrazinyl-3-methyl-1H-pyrimidine-2,4-dione

Guanidine sulfamate

CH8N4O3S (156.03170980000002)

(S)-2-BROMOSUCCINICACID

2-ETHYNYL-1-METHYL-1H-BENZOIMIDAZOLE

3,5-DICYANOMETHYL TOLUENE

2,6-Difluoro-4-methylbenzaldehyde

6-Methyl-1H-indole-5-carbonitrile

5-ETHOXY-FURAN-2-CARBOXYLIC ACID

4-phenylpyridazine

5-ethyl-1,3-diazinane-2,4,6-trione

5-Pyrimidinethiol,4,6-diamino-2-methyl-

6H-Indeno[4,5-b]furan(8CI)

1-(2-Hydroxy-5-fluorophenyl)ethanol

ethyl 2-(triazol-2-yl)acetate

2-Chloro-4-methoxytoluene

3,4-difluoro-benzamidine

C7H6F2N2 (156.04990199999997)

3-Trifluoromethylbutyric acid

3-amino-1H-indene-2-carbonitrile

2-Fluoro-6-methyl-3-nitropyridine

2-Fluoro-4-nitroaniline

3-HYDROXY-1-METHYL-1H-PYRAZOLE-5-CARBOHYDRAZIDE

2-CHLORO-5-PROPYLPYRIMIDINE

2-(2-Chlorophenyl)ethanol

2-(3-Chlorophenyl)ethanol

4-Phenylpyrimidine

Pyrimidine, 4-phenyl-

(3-Chlorobenzyl)hydrazine

5-Amino-2-fluoroisonicotinic acid

Acetamide,N-(2-aminoethyl)-2,2,2-trifluoro-

C4H7F3N2O (156.0510448)

4-Methyl-1H-indole-6-carbonitrile

1,2-Benzenedimethanol,4-fluoro-

4-Methyl-6-(methylthio)-1,3,5-triazin-2-amine

Iminostilbene

Boronic acid, (3-fluoro-2-hydroxyphenyl)- (9CI)

4-Chloro-3-methylbenzene-1,2-diamine

5-FLUORO-1,3-DIHYDROXYMETHYLBENZENE

6-Chloro-4,5-dimethyl-3-pyridinamine

2-(2,4-DIMETHYLTHIAZOL-5-YL)ETHANAMINE

(2-Fluoro-4-hydroxyphenyl)boronic acid

5-METHOXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

2-(3,5-difluorophenyl)acetaldehyde

1H-Thieno[3,4-d]imidazol-2(3H)-one,4,6-dihydro-4-methyl-

4,6-Dimethoxy-1,3,5-triazin-2-amine

ethyl 5-oxo-1,2-dihydropyrazole-3-carboxylate

1-chloro-3-methoxy-5-methylbenzene

n,n-diallylthiourea

2-ACETYL-3-AMINO-3-(METHYLTHIO)ACRYLONITRILE

2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxyethyl)-

2,4-bipyridyl

2,5-Dimethylthiophene-3-boronic acid

C6H9BO2S (156.0416284)

m-Bis(cyanomethyl)benzene

Ethyl 5-amino-4-isoxazolecarboxylate

2-Phenylpyrazine

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid ethyl ester

2-Fluor-5-methyl-3-nitropyridin

1,4-DICYANO-2,3-DIMETHYLBENZENE

2-Methyl-3-(methylsulfinyl)pyrazine ,97

2-AMINO-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANOIC ACID

3-ethynyl-1-methylindazole

(4-CHLORO-PYRIDIN-2-YL)-DIMETHYL-AMINE

3-(4-Methyl-1,3-thiazol-5-yl)-1-propanamine

2-(1H-indol-6-yl)acetonitrile

1-(5-chloropyridin-2-yl)-N-methylmethanamine

6-Ethoxy-2,4(1H,3H)-pyrimidinedione

1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid

5-methyl-3-(2-oxopropyl)-1,3,4-oxadiazol-2-one

(S,S)-I-PR-DUPHOS

2-DIMETHYLAMINO-THIAZOLE-5-CARBALDEHYDE

(4-CHLORO-3-METHYL-PHENYL)-HYDRAZINE

6,7-Dihydro-4H-pyrano[4,3-d]thiazol-2-amine

3-phenylpyridazine

1,3-dimethyl-5-hydroxyuracil

1-chloro-6,6-dimethyl-2-hepten-4-yne

C9H13Cl (156.0705728)

(3-Fluoro-5-hydroxyphenyl)boronic acid

1H-Indole-5-carbonitrile,2-methyl-

2-methyl-1H-indole-6-carbonitrile

Triethylgallium

C6H15Ga (156.04295)

3,5-difluoro-benzamidine

C7H6F2N2 (156.04990199999997)

2-CHLORO-5-ISOPROPYLPYRIMIDINE

3,5-Dioxocyclohexanecarboxylic Acid

4-AMINO-5-CYCLOPROPYL-4H-[1,2,4]TRIAZOLE-3-THIOL

(2-CHLORO-PYRIDIN-4-YL)-DIMETHYL-AMINE

ethyl 1H-tetrazole-5-acetate

Ethyl 2-amino-1,3-oxazole-5-carboxylate

2-Fluoro-6-nitroaniline

3-Fluoro-5-nitroaniline

1-Fluoro-3,5-dimethoxybenzene

5-ethoxy-1H-pyrimidine-2,4-dione

5-(Methoxymethyl)-2-furoic acid

2-Chloro-1-phenylethanol

(+/-)-2-ACETOXYPROPIONICACID

5-Isopropyl-4-methyl-thiazole-2-ylamine

1-propan-2-ylimidazolidine-2,4,5-trione

6-Methyl-1H-indole-4-carbonitrile

1-(6-Chloro-pyridin-3-yl)-ethylamine

(3-Chloro-2-methylphenyl)methanol

5-Fluoro-2-hydroxyphenylboronic acid

1-Fluoro-2,4-dimethoxybenzene

4-Chloro-2,5-diamino toluene

1-methylindole-7-carbonitrile

1-Chloro-3-methoxy-2-methylbenzene

4-Chloro-1-methoxy-2-methylbenzene

(4-Fluoro-3-methoxyphenyl)methanol

(2-Fluoro-4-methoxyphenyl)methanol

(1R,5S,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid

2-(1H-indol-5-yl)acetonitrile

Ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate

Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate

2-amino-4-tert-butylthiazole

4-Tert-butyl-1,3-thiazol-2-amine

5-ethyl-2-thiouracil

3-(2-Methyl-2-propanyl)-1,2-thiazol-5-amine

5-ISOPROPYL-1,3,4-OXADIAZOLE-2-CARBOXYLIC ACID

3-FLUORO-2-METHOXY-PHENYL-HYDRAZINE

C7H9FN2O (156.0698876)

1H-Cyclopenta[3,4]pyrazolo[1,5-a]pyridine (9CI)

2-Ethoxy-4,6-dihydroxypyrimidine

2-Thiophenecarboxylicacid,3-methyl-,hydrazide(9CI)

3-Thiophenecarboxylicacid,5-methyl-,hydrazide(9CI)

2,4-Difluoro-3-methylbenzaldehyde

(2-fluoro-6-methoxyphenyl)methanol

2,4-Difluoroacetophenone

2,3-Difluoroacetophenone

4-Fluoro-3-nitroaniline

3,4-Difluoroacetophenone

1-(3,4-Difluorophenyl)ethanone

2-Fluoro-1,4-dimethoxybenzene

Indole-2-carbonitrile, 3-methyl-

1-(6-Chloro-3-pyridinyl)-N-methylmethanamine

(R)-1-(2-Chlorophenyl)ethanol

3-Fluoro-2-methoxybenzenemethanol

3-(Difluoromethyl)benzaldehyde

2-(1H-indol-4-yl)acetonitrile

1H-Imidazole-1-acetamide,4-amino-N-hydroxy-(9CI)

3,4-Difluoro-5-methylbenzaldehyde

Methyl 5-fluoro-2-pyrimidinecarboxylate

1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE

C9H13Cl (156.0705728)

2-Thiazolamine,5-(1,1-dimethylethyl)-

N-Ethyl-4,5-dimethyl-1,3-thiazol-2-amine

Thiopyrano[3,2-c]pyrazol-3(5H)-one,1,2,6,7-tetrahydro-

Ethyl 2-amino-1,3-oxazole-4-carboxylate

Thiopyrano[2,3-c]pyrazol-3(2H)-one,1,4,5,6-tetrahydro-

POLY(MELAMINE-CO-FORMALDEHYDE), ISOBUTYLATED

C4H8N6O (156.0759558)

POLY(MELAMINE-CO-FORMALDEHYDE), METHYLATED/BUTYLATED (55/45)

C4H8N6O (156.0759558)

2-thien-3-ylacetohydrazide

(3-FLUORO-4-HYDROXYPHENYL)BORONIC ACID

1H-Imidazole-2-carboxylicacid,1-(methoxymethyl)-(9CI)

6-Methyl-2-(methylthio)-1H-pyrimidin-4-one

3-(5-METHYL-1H-TETRAZOL-1-YL)PROPANOIC ACID

4-Methyl-6-(methylthio)pyrimidin-2-ol

2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetic acid

a,a-Difluoroacetophenone

1-(2,6-Difluorophenyl)ethanone

(1S)-1-(2-Chlorophenyl)ethanol

1H-Pyrazole-4-carboxamide,3-amino-5-methoxy-(9CI)

4-NITRO-5,6-DIHYDRO-4H-IMIDAZO[1,2-D]TETRAZOLE

C3H4N6O2 (156.0395724)

METHYL-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL]-AMINE

1H-Imidazole-4-carboxylicacid,2-(methoxymethyl)-(9CI)

3-CHLORO-4-METHYLBENZYL ALCOHOL

N-Cyanoacetylurethane

ethyl (±)-tetrahydro-2-oxo-3-furoate

1-Chloro-4-(methoxymethyl)benzene

1-(5-chloropyridin-2-yl)ethanamine

2,3-dihydro-1H-pyrrolo[3,4-c]pyridine dihydrochloride

guanidinium sulphamate

CH8N4O3S (156.03170980000002)

5-(HYDROXYMETHYL)-N-METHYLISOXAZOLE-3-CARBOXAMIDE

4-Chloro-5-methyl-1,2-benzenediamine

2-AMINO-5-METHYL-3-THIOPHENECARBOXAMIDE

(4-Chloromethyl-phenyl)-methanol

5-Methyl-2-thiophenecarboxylic acid hydrazide

1-(2-Amino-5-methyl-4-thiazolyl)ethanone

(4-Fluoro-3-hydroxyphenyl)boronic acid

5-Methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone

(3-fluoro-4-methoxyphenyl)methanol

2-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

2-Amino-4-methyl-3-thiophenecarboxamide

1H-Imidazole-5-carbothioamide,4-amino-1-methyl-

2-(1H-indol-7-yl)acetonitrile

2,5-Dimethylterephthalonitrile

(2-chloro-3-methylphenyl)methanol

(3-Fluoro-5-methoxyphenyl)methanol

Benzylmalononitrile

1-(Difluoromethyl)-2,4-dimethylbenzene

(3-Chloromethyl-phenyl)-methanol

Quinoxaline,6-ethenyl-

3H-imidazo[1,2-a]indole

hydroxylamine nitrate

C2H8N2O6 (156.0382348)

3-Thiophenecarboxamide,2-amino-N-methyl-(9CI)

2-Oxabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (1R,4R,5R)- cinchonidine salt

S-methyl-S-(2-pyridyl)-NH-sulfoximine

3-CYANO-5-METHYLINDOLE

2,6-difluoro-benzamidine

C7H6F2N2 (156.04990199999997)

1,4-DICYANO-2-ETHYLBENZENE

5-Acetyl-4-methyl-2-thiazolamine

5,7-difluoro-2,3-dihydrobenzo[b]furan

2-Chloro-3,5-dimethylphenol

(4-Chlorobenzyl)hydrazine

6-hydroxy-5-methoxy-2-methyl-4(3H)-Pyrimidinone

2-Thiazolamine,N-methyl-4-(1-methylethyl)-

N-(4-Methylthiazol-2-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)acetamide

Ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate

1-(2-Isopropyl-1,3-thiazol-5-yl)methanamine

1-(1,1-difluoroethyl)-2-methyl- Benzene

3-(ALLYLTHIO)-1H-1,2,4-TRIAZOL-5-AMINE

2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine hydrochloride

methyl 4,4,4-trifluorobutanoate

2-Fluoro-6-hydroxyphenylboronic acid

Methyl (Trimethylsilyl)Propiolate

C7H12O2Si (156.0606532)

5-Fluoro-2-methoxybenzyl alcohol

2-Chloro-6-methylphenylhydrazine

2-Chloro-4-(1-amino)ethylpyridine

2-[dimethyl(trideuteriomethyl)azaniumyl]acetate,hydrochloride

C5H9ClD3NO2 (156.074483734)

(5-cyanopyridin-3-yl)-methanol

C7H9FN2O (156.0698876)

2-(Chloromethyl)-3,5-dimethylpyrazine

5,6-Diamino-1-methyluracil

4(1H)-Pyrimidinone,6-ethyl-2,3-dihydro-2-thioxo-

anilinium nitrate

2-Chloro-4-propylpyrimidine

2-(2,2,2-trifluoroethoxymethyl)oxirane

2-(6-chloropyridin-3-yl)ethanamine

5-Uracilboronic acid

C4H5BN2O4 (156.034236)

4,6-DIAMINO-2-METHYLMERCAPTOPYRIMIDINE

Methyl 2-(hydroxymethyl)furan-3-carboxylate

2,3-difluoro-4-methylbenzaldehyde

3-Fluoro-2-nitroaniline

Methyl 3-Hydroxy-1-Methyl-1H-Pyrazole-5-Carboxylate

1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Methyl 5-(hydroxymethyl)-2-furoate

1-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanamine

(2,2-Difluoro-1-methylethyl)benzene

3-(1,2,4-Triazol-1-yl)-L-alanine

2,4-Difluoro-5-methylbenzaldehyde

2-(2,4-dioxopyrrolidin-1-yl)acetamide

3-CHLORO-1H-4,5,6,7-TETRAHYDROINDAZOLE

B-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]boronic acid

C5H9BN2O3 (156.0706194)

5-(HYDROXYMETHYL)-2-METHYL-3-FUROIC ACID

2-(6-Fluoro-pyridin-2-ylamino)-ethanol

C7H9FN2O (156.0698876)

5-norbornene-2-carbonyl chloride

2-(DIMETHYLAMINO)THIAZOLE-4-CARBALDEHYDE

Guanidine,(2-methyl-4-thiazolyl)- (9CI)

1H-Cyclopenta[b]benzofuran (8CI,9CI)

2-phenylbutanedinitrile

2-chloro-4,6-dimethylpyridin-3-amine

1,3-Difluoro-5-propylbenzene

2-(Chloromethyl)-4,6-dimethylpyrimidine

5-ISOCYANO-1-METHYL-1H-INDOLE

2,5-Difluoroacetophenone

2-Fluoro-5-nitroaniline

Phosphinic acid,P-methyl-P-phenyl-

C7H9O2P (156.0340144)

3,3-Bipyridine

N-(1,3-thiazol-2-yl)propanamide

3-methyl-2-methylsulfanyl-pyrimidin-4-one

N-HYDROXY-5-METHYLTHIOPHENE-2-CARBOXAMIDINE

HEXAHYDRO-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE

Ethyl 5-methyl-1,2,3-oxadiazole-4-carboxylate

1-(3-Chlorophenyl)ethanol

2-Chloro-4-isopropylpyrimidine

(R,R)-ETHYLENEBIS-(4,5,6,7-TETRAHYDRO-1-INDENYL)-DIMETHYLTITANIUM(IV)

5-Thiazolecarboxamide,2,4-dimethyl-

2-(2-Methyl-1,3-thiazol-4-yl)acetamide

(5-Fluoropyrimidin-2-yl)acetic acid

(4-Chloro-2-methylphenyl)methanol

5-Isoxazolecarboxylicacid,4-amino-3-methyl-,methylester(9CI)

Isoepoxydon

5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid

[2-Fluoro-3-(hydroxymethyl)phenyl]methanol

(1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid

Sorbic acid, 5-formyl-2-hydroxy-

2,6-Dimethylterephthalonitrile

(R)-2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid

Tetrolic acid, trimethylsilyl ester

C7H12O2Si (156.0606532)

4-Hydroperoxy-2-methoxy-phenol

naphthal

1-Formylnaphthalene

A naphthaldehyde with a formyl group at position 1.

2-Isopropylmaleate

C7H8O4-2 (156.0422568)

(2Z,4E)-2-aminomuconate

C6H6NO4- (156.0296816)

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2-Hydroxy-6-oxo-2,4-heptadienoate

[(2s)-3-Methyl-5-Oxo-2,5-Dihydrofuran-2-Yl]acetic Acid

3-(1H-1,2,4-triazol-3-yl)alanine

(2Z,4Z)-2-Methyl-2,4-hexadienedioic acid

beta-(1,2,4-triazol-3-yl)-L-alanine

2-(2-Carboxylethyl)-3-isoxazolin-5-one

C6H6NO4- (156.0296816)

2-(3-Methylbut-2-enoylamino)acetate

C7H10NO3- (156.066065)

Histidine monocation

C6H10N3O2+ (156.077298)

(2S)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate

C6H10N3O2+ (156.077298)

(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid

4-Hydroxy-3,3a,4,6-tetrahydrouro[3,2-c]pyran-2-one

(S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid

4,6-Dihydroxy-5-acetyl-1,2-dihydropyrimidine

L-beta-Imidazolelactic acid

(S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid

3-(4-oxo-4,5-Dihydro-1H-imidazol-5-yl)propanoic acid

An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position.

(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

4-Carboxymethyl-3-methylbut-2-en-1,4-olide

(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid

3-(imidazol-5-yl)lactic acid

2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid

A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.

(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid

3-Methyl-cis,cis-muconic acid

1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate

4-Carboxymethyl-4-methylbut-2-en-1,4-olide

(E)-ascladiol

A butenolide that is furan-2(5H)-one which is substituted by a hydroxymethyl group at position 4 and a 2-hydroxyethylidene group at position 5 (the 5E isomer). A direct precursor of patulin in cell-free preparations of Penicillium urticae patulin-minus mutants J1 and S11, but not S15.

(+)-isoepoxydon

A cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae.

2-isopropylmaleate(2-)

Dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3.

2-Naphthaldehyde

2-Naphthalenecarboxaldehyde