Exact Mass: 195.0482654

Exact Mass Matches: 195.0482654

Found 289 metabolites which its exact mass value is equals to given mass value 195.0482654, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Salicyluric acid

2-[(2-hydroxyphenyl)formamido]acetic acid

C9H9NO4 (195.0531554)


Salicyluric acid is an aryl glycine conjugate formed by the body to eliminate excess salicylates, including aspirin. Aspirin is rapidly hydrolysed to salicylic acid which is further metabolized to various compounds, including salicyluric acid (SU) as well as various acyl and phenolic glucuronides, and hydroxylated metabolites. SU is the major metabolite of SA excreted in urine and it is present in the urine of people who have not taken salicylate drugs, although it has no anti-inflammatory effects in humans or in animals. More salicyluric acid (SU) is excreted in the urine of vegetarians than in non-vegetarians, primarily because fruits and vegetables are important sources of dietary salicylates. However, significantly less (10-15X) SU is excreted by vegetarians than individuals taking low-dose aspirin (PMID: 12944546). The induction of the salicyluric acid formation is one of the saturable pathways of salicylate elimination. The formation of the methyl ester of salicyluric acid is observed during the quantitation of salicyluric acid and other salicylate metabolites in urine by high-pressure liquid chromatography. This methyl ester formation causes artificially low values for salicyluric acid and high values for salicylic acid. (PMID: 6101164, 6857178). Salicyluric acid has been found to be a microbial metabolite. Constituent of milk KEIO_ID H028 Salicyluric acid is an endogenous metabolite.

   

Dopaquinone

(2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

C9H9NO4 (195.0531554)


Dopaquinone, also known as o-dopaquinone or L-dopaquinone, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha-amino acids which have the L-configuration of the alpha-carbon atom. Dopaquinone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-Dopaquinone is a metabolite of L-DOPA and a precursor of melanin. Melanin is synthesized from tyrosine by hydroxylation to dihydroxyphenylalanine (DOPA) and subsequent oxidation to dopaquinone. Both reactions are catalyzed by the enzyme tyrosinase, which is the rate-limiting step. Dopaquinone has an ortho-quinone ring, which is known to be neurotoxic and highly reactive with many other compounds (PMID: 413870). Dopaquinone typically combines with cysteine to form pheomelanin (a pigment-polymer). Alternatively, dopaquinone can be converted to leucodopachrome and eventually to eumelanin (also a pigment-polymer). Dopaquinone can be found in skin and feces. Within the cell, dopaquinone is primarily located in the cytoplasm. Dopaquinone is involved in several metabolic disorders, some of which include transient tyrosinemia, hawkinsinuria, tyrosinemia type I, and alkaptonuria. Chronically high levels of dopaquinone are associated with Parkinsons disease (PD). Many Parkinsons patients are treated with L-DOPA. However, long-term treatment with L-DOPA may actually worsen symptoms or result in neurotic and psychotic symptoms. These may be due to dopachrome and dopaquinone accumulating in the brain of L-DOPA treated patients (PMID: 19131041, PMID: 12373519). Dopaquinone is a substrate of enzyme monophenol monooxygenase [EC 1.14.18.1] in tyrosine metabolism pathway (KEGG). [HMDB]

   

1,2-Epoxy-3-(p-nitrophenoxy)propane

1,2-Epoxy-3-(4-nitrophenoxy)propane

C9H9NO4 (195.0531554)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

Leucodopachrome

(2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid

C9H9NO4 (195.0531554)


Leucodopachrome is an indolic intermediate in the melanogenesis pathway, the non-enzymatically product of dopaquinone through cyclization in a reaction whose operation is determined by a pH greater than 4 (melanin synthesis in human pigment cell lysates is maximal at pH 6.8). Leucodopachrome participates in redox exchange with dopaquinone to give the eumelanin precursor dopachrome plus dopa. Dopaquinone (the quinone intermediate resulting from tyrosinase-mediated oxidation of tyrosine, monophenol dihydroxyphenylalanine:oxygen oxidoreductase, EC 1.14.18.1) could be a toxic metabolite in melanin biosynthesis. (PMID: 6807981, 1445949, 413870, 11461115, 11171088, 12755639) [HMDB]. Leucodopachrome is found in many foods, some of which are chives, saffron, leek, and red beetroot. Leucodopachrome is an indolic intermediate in the melanogenesis pathway, the non-enzymatic product of dopaquinone through cyclization in a reaction whose operation is determined by a pH greater than 4 (melanin synthesis in human pigment cell lysates is maximal at pH 6.8). Leucodopachrome participates in redox exchange with dopaquinone to give the eumelanin precursor dopachrome plus DOPA. Dopaquinone (the quinone intermediate resulting from tyrosinase-mediated oxidation of tyrosine, monophenol dihydroxyphenylalanine:oxygen oxidoreductase, EC 1.14.18.1) could be a toxic metabolite in melanin biosynthesis (PMID: 6807981, 1445949, 413870, 11461115, 11171088, 12755639).

   

6-Hydroxy-3-succinoylpyridine

4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid

C9H9NO4 (195.0531554)


   

(2S)-2-(dihydroxyamino)-5-methylsulfanylpentanoic acid

(2S)-2-(dihydroxyamino)-5-methylsulfanylpentanoic acid

C6H13NO4S (195.0565258)


   

Alpha-Hydroxyhippuric acid

2-hydroxy-2-(phenylformamido)acetic acid

C9H9NO4 (195.0531554)


Alpha-Hydroxyhippuric acid, also known as alpha-hydroxybenzoylglycine or a-hydroxyhippate, belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. Alpha-hydroxyhippuric acid should not be confused with 2-hydroxyhippuric acid. It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965). It is a substrate for the enzyme peptidyl-alpha-hydroxyglycine alpha-amidating lyase. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a hippuric acid derivative that is occasionally present in human biofluids. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. (PMID 10598689, 6511847, 4077949). It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965) [HMDB]

   

N-acetyl-5-aminosalicylic acid

N-Acetyl-5-aminosalicylic acid, monosodium salt

C9H9NO4 (195.0531554)


N-acetyl-5-aminosalicylic acid is a metabolite of mesalazine. Mesalazine, also known as mesalamine or 5-aminosalicylic acid (5-ASA), is an anti-inflammatory drug used to treat inflammatory bowel disease, such as ulcerative colitis and mild-to-moderate Crohns disease. Mesalazine is a bowel-specific aminosalicylate drug that acts locally in the gut and has its predominant actions there, thereby having few systemic side effects. (Wikipedia) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

4-Carboxyphenylglycine

(+-)- alpha-Amino-4-carboxy-benzeneacetic acid

C9H9NO4 (195.0531554)


4-Carboxyphenylglycine is a group I metabotropic glutamate receptor (mGlu) antagaonist by blocking the cystine/glutamate exchanger. In addition, it has modulating effect on the central action of NMDA receptor antagonist. It plays a role in synaptic plasticity and excitability, long term potentiation and long term depression. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists

   

4-Hydroxyhippurate

2-[(4-Hydroxyphenyl)carbonylamino]acetic acid

C9H9NO4 (195.0531554)


4-Hydroxyhippuric acid is a microbial end-product derived from polyphenol metabolism by the microflora in the intestine (PMID: 22932811). It is derived from 4-hydroxybenzoic acid derivatives which may undergo glycination in the liver and kidney (PMID: 20615997). 4-Hydroxyhippuric acid has been identified in the human placenta (PMID: 32033212). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

2-hydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C9H9NO4 (195.0531554)


Constituent of Coix lachryma-jobi (Jobs tears), wheat and sweet corn (Zea mays). (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in many foods, some of which are coffee and coffee products, cereals and cereal products, fats and oils, and alcoholic beverages. 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in alcoholic beverages. 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is a constituent of Coix lachryma-jobi (Jobs tears), wheat and sweet corn (Zea mays).

   

3-Hydroxyhippuric acid

2-[(3-Hydroxyphenyl)formamido]acetic acid

C9H9NO4 (195.0531554)


3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. 3-Hydroxyhippuric acid is an organic acid found in normal human urine. 3-Hydroxyhippuric acid is a metabolite of rutin detected in urine after consumption of tomato juice (a source of rutin). 3-Hydroxyhippuric acid has its origin in dietary procyanidins (a major source of polyphenols consisting of elementary flavan-3-ol (epi)catechin units). 3-Hydroxyhippuric acid is a microbial aromatic acid metabolite derived from dietary polyphenols and flavonoids, found in normal human urine (PMID: 12592675, 2338430, 17015248, 14556848, 12742116). It is a marker of gut Clostridium species. Higher levels are associated with higher levels of Clostridia (PMID: 27123458). 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.

   

2-Hydroxy-6,7-dimethoxybenzoxazole

6,7-dimethoxy-2,3-dihydro-1,3-benzoxazol-2-one

C9H9NO4 (195.0531554)


2-Hydroxy-6,7-dimethoxybenzoxazole is found in cereals and cereal products. 2-Hydroxy-6,7-dimethoxybenzoxazole is a constituent of the dried tissues of Zea mays (sweet corn)

   

L-Dopaquinone

2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

C9H9NO4 (195.0531554)


Implicated in food discolouration (enzymatic browning). Implicated in food discolouration (enzymatic browning)

   

2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide

N-{[(3-aminopyridin-2-yl)methylidene]amino}carbamimidothioate

C7H9N5S (195.0578634)


   

4-Acetamidosalicylic acid

4-(Acetylamino)-2-hydroxybenzoic acid

C9H9NO4 (195.0531554)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

2-(N-Morpholino)-ethanesulfonic acid

2-(N-Morpholino)ethanesulfonic acid, sodium salt

C6H13NO4S (195.0565258)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Benzoic acid, 2-(acetyloxy)-5-amino-

Benzoic acid, 2-(acetyloxy)-5-amino-

C9H9NO4 (195.0531554)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

Acetyl 4-aminosalicylic acid

Acetyl 4-aminosalicylic acid, sodium salt

C9H9NO4 (195.0531554)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

Elmustine

1-(2-Chloroethyl)-1-nitroso-3-(2-hydroxyethyl)urea

C5H10ClN3O3 (195.041066)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D009153 - Mutagens

   

1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde

3-[2-hydroxy-5-(hydroxymethyl)-1H-pyrrol-1-yl]-2,3-dihydrofuran-2-one

C9H9NO4 (195.0531554)


1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is a member of the class of compounds known as alpha amino acid esters. Alpha amino acid esters are ester derivatives of alpha amino acids. 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde can be found in common pea, which makes 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde a potential biomarker for the consumption of this food product.

   

Salicyluric acid

Glycine,N-(2-hydroxybenzoyl)-

C9H9NO4 (195.0531554)


Salicyluric acid is an endogenous metabolite.

   

Mannostatin B

Mannostatin B

C6H13NO4S (195.0565258)


An amino cyclitol that is cyclopentane substituted by hydroxy groups at positions 1, 2 and 3, by an amino group at positon 4, and by a methylsulfinyl group at position 5 (the 1R,2R,3R,4S,5R-stereoisomer). It is isolated from the soil bacterium Streptoverticillium verticillium.

   
   

o-Hydroxyhippuric acid

Glycine,N-(2-hydroxybenzoyl)-

C9H9NO4 (195.0531554)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ONJSZLXSECQROL-UHFFFAOYSA-N_STSL_0215_o-Hydroxyhippuric acid_8000fmol_190326_S2_LC02MS02_058; 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. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; 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. Salicyluric acid is an endogenous metabolite.

   

4-Acetamidosalicylic acid

N-acetyl-4-aminosalicylic acid

C9H9NO4 (195.0531554)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

4-Morpholineethanesulfonic acid

4-Morpholineethanesulfonic acid

C6H13NO4S (195.0565258)


   
   

amino-(3-carboxy-phenyl)-acetic acid

amino-(3-carboxy-phenyl)-acetic acid

C9H9NO4 (195.0531554)


   

6-(Ethoxycarbonyl)picolinic acid

6-(Ethoxycarbonyl)picolinic acid

C9H9NO4 (195.0531554)


   

2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetamide

2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetamide

C9H9NO4 (195.0531554)


   

dimethyl pyridine-2,6-dicarboxylate

dimethyl pyridine-2,6-dicarboxylate

C9H9NO4 (195.0531554)


   

Dimethyl pyridine-2,3-dicarboxylate

Dimethyl pyridine-2,3-dicarboxylate

C9H9NO4 (195.0531554)


   

Peristrophamide

Peristrophamide

C9H9NO4 (195.0531554)


   

N-(2-Carboxyphenyl)glycine

N-(2-Carboxyphenyl)glycine

C9H9NO4 (195.0531554)


   

3,6-Dimethoxybenzoxazole-2(3H)-one

3,6-Dimethoxybenzoxazole-2(3H)-one

C9H9NO4 (195.0531554)


   

4-Hydroxy-2-methoxy-2H-1,4-benzoxazin-3(4H)-one

4-Hydroxy-2-methoxy-2H-1,4-benzoxazin-3(4H)-one

C9H9NO4 (195.0531554)


   

3-Acetamido-5-hydroxybenzoic Acid

3-Acetamido-5-hydroxybenzoic Acid

C9H9NO4 (195.0531554)


   

4-hydroxyphenylpyruvic acid oxime

4-hydroxyphenylpyruvic acid oxime

C9H9NO4 (195.0531554)


A ketoxime obtained by condensation of the keto group of 4-hydroxyphenylpyruvic acid with hydroxylamine.

   

LEUCOPTERIN

4,6,7(1H)-Pteridinetrione,2-amino-5,8- dihydro-

C6H5N5O3 (195.039238)


   

ACETIC ACID SALICYLOYL-AMINO-ESTER

ACETIC ACID SALICYLOYL-AMINO-ESTER

C9H9NO4 (195.0531554)


   

N,N-dihydroxyhomomethionine

N,N-dihydroxyhomomethionine

C6H13NO4S (195.0565258)


   

N-Acetyl Mesalazine

N-Acetyl-5-aminosalicylic acid

C9H9NO4 (195.0531554)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates CONFIDENCE standard compound; INTERNAL_ID 2725 CONFIDENCE standard compound; INTERNAL_ID 8622

   

Salicyluric acid

Glycine,N-(2-hydroxybenzoyl)-

C9H9NO4 (195.0531554)


An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. Salicyluric acid is an endogenous metabolite.

   

alpha-Hydroxyhippuric acid

(benzoylamino)Hydroxyacetic acid

C9H9NO4 (195.0531554)


An N-acyl-amino acid that is N-benzoylglycine substituted by a hydroxy group at C-2. CONFIDENCE standard compound; INTERNAL_ID 159

   

4-Hydroxyhippuric acid

4-Hydroxyhippuric acid

C9H9NO4 (195.0531554)


   

MES

2-(N-Morpholino)ethanesulfonic acid

C6H13NO4S (195.0565258)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SXGZJKUKBWWHRA-UHFFFAOYSA-N_STSL_0145_MES_0500fmol_180419_S2_LC02_MS02_15; 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. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; 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.

   

Benzadox

Acetic acid,2-[(benzoylamino)oxy]-

C9H9NO4 (195.0531554)


CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2812; ORIGINAL_PRECURSOR_SCAN_NO 2809 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2809; ORIGINAL_PRECURSOR_SCAN_NO 2807 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2808; ORIGINAL_PRECURSOR_SCAN_NO 2805 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2798; ORIGINAL_PRECURSOR_SCAN_NO 2795 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2886; ORIGINAL_PRECURSOR_SCAN_NO 2885 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2812; ORIGINAL_PRECURSOR_SCAN_NO 2808 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5998; ORIGINAL_PRECURSOR_SCAN_NO 5994 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5992; ORIGINAL_PRECURSOR_SCAN_NO 5987 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6028; ORIGINAL_PRECURSOR_SCAN_NO 6025 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6027; ORIGINAL_PRECURSOR_SCAN_NO 6023

   

Salicyluric acid; LC-tDDA; CE10

Salicyluric acid; LC-tDDA; CE10

C9H9NO4 (195.0531554)


   

Salicyluric acid; LC-tDDA; CE20

Salicyluric acid; LC-tDDA; CE20

C9H9NO4 (195.0531554)


   

Salicyluric acid; LC-tDDA; CE30

Salicyluric acid; LC-tDDA; CE30

C9H9NO4 (195.0531554)


   

Salicyluric acid; LC-tDDA; CE40

Salicyluric acid; LC-tDDA; CE40

C9H9NO4 (195.0531554)


   

Alpha-Hydroxyhippuric acid; LC-tDDA; CE10

Alpha-Hydroxyhippuric acid; LC-tDDA; CE10

C9H9NO4 (195.0531554)


   

Alpha-Hydroxyhippuric acid; LC-tDDA; CE20

Alpha-Hydroxyhippuric acid; LC-tDDA; CE20

C9H9NO4 (195.0531554)


   

m-Hydroxyhippuric acid

m-Hydroxyhippuric acid

C9H9NO4 (195.0531554)


An N-acylglycine that is hippuric acid (N-benzoylglycine) substituted at position 3 on the phenyl ring by a hydroxy group.

   

pencolide_major

pencolide_major

C9H9NO4 (195.0531554)


   

3-Hydroxyhippurate

N-m-Hydroxylbenzoylglycine

C9H9NO4 (195.0531554)


3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.

   

O-Acetyl Salicylhydroxamic Acid

N-(acetyloxy)-2-hydroxy benzamide

C9H9NO4 (195.0531554)


   

4-carboxyphenylglycine

(RS)-4-Carboxyphenylglycine

C9H9NO4 (195.0531554)


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

   

p-Hydroxyhippuric Acid

2-[(4-Hydroxyphenyl)formamido]acetic acid

C9H9NO4 (195.0531554)


An N-acylglycine that is the 4-hydroxy derivative of hippuric acid.

   

2-Hydroxy-6,7-dimethoxybenzoxazole

6,7-dimethoxy-2,3-dihydro-1,3-benzoxazol-2-one

C9H9NO4 (195.0531554)


   

Hmboa

2-hydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C9H9NO4 (195.0531554)


   

L-dopaquinone

2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

C9H9NO4 (195.0531554)


   

3-methyl-2-nitrophenyl acetate

3-methyl-2-nitrophenyl acetate

C9H9NO4 (195.0531554)


   

Salicylamide O-acetic acid

(2-carbamoylphenoxy)acetic acid

C9H9NO4 (195.0531554)


   

2-chloro-N-cyclopropylbenzamide

2-chloro-N-cyclopropylbenzamide

C10H10ClNO (195.045088)


   

1-amino-2-naphthol hydrochloride

1-amino-2-naphthol hydrochloride

C10H10ClNO (195.045088)


   

4-METHOXY-2-NITROACETOPHENONE

4-METHOXY-2-NITROACETOPHENONE

C9H9NO4 (195.0531554)


   

2-Chloro-1-(2,3-Dihydro-Indol-1-Yl)-Ethanone

2-Chloro-1-(2,3-Dihydro-Indol-1-Yl)-Ethanone

C10H10ClNO (195.045088)


   

3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C10H10ClNO (195.045088)


   

1-ACETYL-6-CHLOROINDOLINE

1-ACETYL-6-CHLOROINDOLINE

C10H10ClNO (195.045088)


   

7H-Pyrrolo[2,3-d]pyrimidine,4-methoxy-2-(methylthio)-

7H-Pyrrolo[2,3-d]pyrimidine,4-methoxy-2-(methylthio)-

C8H9N3OS (195.0466304)


   

5,7-difluoro-2-methyl-1H-quinolin-4-one

5,7-difluoro-2-methyl-1H-quinolin-4-one

C10H7F2NO (195.0495676)


   

5,8-DIFLUORO-2-METHYL-QUINOLIN-4-OL

5,8-DIFLUORO-2-METHYL-QUINOLIN-4-OL

C10H7F2NO (195.0495676)


   

6,8-difluoro-2-methylquinolin-4-ol

6,8-difluoro-2-methylquinolin-4-ol

C10H7F2NO (195.0495676)


   

3-dimethylamino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione

3-dimethylamino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione

C7H9N5S (195.0578634)


   

N-methyl-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine

N-methyl-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine

C7H9N5S (195.0578634)


   

1,3-Dioxolane,2-(4-nitrophenyl)-

1,3-Dioxolane,2-(4-nitrophenyl)-

C9H9NO4 (195.0531554)


   

2,5-Diamino-3-fluoro-4-(trifluoromethyl)pyridine+

2,5-Diamino-3-fluoro-4-(trifluoromethyl)pyridine+

C6H5F4N3 (195.0419578)


   

5-(Ethoxycarbonyl)nicotinic acid

5-(Ethoxycarbonyl)nicotinic acid

C9H9NO4 (195.0531554)


   

Triapine

Triapine

C7H9N5S (195.0578634)


C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor

   

6-ETHYL-2-MERCAPTO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL

6-ETHYL-2-MERCAPTO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL

C8H9N3OS (195.0466304)


   

DiMethyl 2,6-Pyridinedicarboxylate

DiMethyl 2,6-Pyridinedicarboxylate

C9H9NO4 (195.0531554)


   

Benzoic acid,2,5-dimethyl-3-nitro-

Benzoic acid,2,5-dimethyl-3-nitro-

C9H9NO4 (195.0531554)


   

3,5-DIMETHYL-4-NITROBENZOIC ACID

3,5-DIMETHYL-4-NITROBENZOIC ACID

C9H9NO4 (195.0531554)


   

2,6-Pyridinediacetic acid

2,6-Pyridinediacetic acid

C9H9NO4 (195.0531554)


   

1-(2-BROMO-PHENYL)-PIPERAZIN-2-ONE

1-(2-BROMO-PHENYL)-PIPERAZIN-2-ONE

C9H9NO4 (195.0531554)


   

1-(4-CHLOROPHENYL)-3-HYDROXY-1,2-DIHYDROQUINOXALIN-2-ONE

1-(4-CHLOROPHENYL)-3-HYDROXY-1,2-DIHYDROQUINOXALIN-2-ONE

C9H10ClN3 (195.056321)


   

3-(2-nitrophenyl)propanoic acid

3-(2-nitrophenyl)propanoic acid

C9H9NO4 (195.0531554)


   

4,4,4-trifluoro-3-(trifluoromethyl)butan-1-amine

4,4,4-trifluoro-3-(trifluoromethyl)butan-1-amine

C5H7F6N (195.0482654)


   

N-QUINOLIN-8-YL-HYDRAZINIUM, CHLORIDE

N-QUINOLIN-8-YL-HYDRAZINIUM, CHLORIDE

C9H10ClN3 (195.056321)


   

Ethyl 3-nitrobenzoate

Benzoic acid, 3-nitro-,ethyl ester

C9H9NO4 (195.0531554)


   

1-(2-nitrophenoxy)propan-2-one

1-(2-nitrophenoxy)propan-2-one

C9H9NO4 (195.0531554)


   

3-chloro-5,6-diethylpyrazine-2-carbonitrile

3-chloro-5,6-diethylpyrazine-2-carbonitrile

C9H10ClN3 (195.056321)


   

4-Methyl-3-nitrobenzoic acid methyl ester

4-Methyl-3-nitrobenzoic acid methyl ester

C9H9NO4 (195.0531554)


   

3-METHOXY-2-NITROACETOPHENONE

3-METHOXY-2-NITROACETOPHENONE

C9H9NO4 (195.0531554)


   

1-Naphthalenol,2-amino-, hydrochloride (1:1)

1-Naphthalenol,2-amino-, hydrochloride (1:1)

C10H10ClNO (195.045088)


   

Methyl 3-nitrophenylacetate

Methyl (3-nitrophenyl)acetate

C9H9NO4 (195.0531554)


   

2-(2-methyl-5-nitrophenyl)acetic acid

2-(2-methyl-5-nitrophenyl)acetic acid

C9H9NO4 (195.0531554)


   

2-AMINO-6-(METHOXYCARBONYL)BENZOIC ACID

2-AMINO-6-(METHOXYCARBONYL)BENZOIC ACID

C9H9NO4 (195.0531554)


   

5-ACETYL-2-AMINO-4-HYDROXYBENZOIC ACID

5-ACETYL-2-AMINO-4-HYDROXYBENZOIC ACID

C9H9NO4 (195.0531554)


   

4-(1H-Pyrazol-5-yl)aniline hydrochloride (1:1)

4-(1H-Pyrazol-5-yl)aniline hydrochloride (1:1)

C9H10ClN3 (195.056321)


   
   

4-Ethoxy-3-nitrobenzaldehyde

4-Ethoxy-3-nitrobenzaldehyde

C9H9NO4 (195.0531554)


   

methyl 2-amino-3-carboxybenzoate

methyl 2-amino-3-carboxybenzoate

C9H9NO4 (195.0531554)


   

(R)-2-((2-NITROPHENOXY)METHYL)OXIRANE

(R)-2-((2-NITROPHENOXY)METHYL)OXIRANE

C9H9NO4 (195.0531554)


   

(3-AMINO-4-CHLOROPHENYL)(CYCLOPROPYL)METHANONE

(3-AMINO-4-CHLOROPHENYL)(CYCLOPROPYL)METHANONE

C10H10ClNO (195.045088)


   

2,3-Dihydro-1H-pyrrolizine-1,7-dicarboxylic acid

2,3-Dihydro-1H-pyrrolizine-1,7-dicarboxylic acid

C9H9NO4 (195.0531554)


   

[(2S,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanol

[(2S,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanol

C9H9NO4 (195.0531554)


   

7,8-difluoro-4-methyl-2H-isoquinolin-1-one

7,8-difluoro-4-methyl-2H-isoquinolin-1-one

C10H7F2NO (195.0495676)


   

4-ETHYL-5-FURAN-2-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

4-ETHYL-5-FURAN-2-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

C8H9N3OS (195.0466304)


   

6-(Ethoxycarbonyl)nicotinic acid

6-(Ethoxycarbonyl)nicotinic acid

C9H9NO4 (195.0531554)


   

8-AMINO-2,3-DIHYDROBENZO[B][1,4]DIOXINE-5-CARBOXYLIC ACID

8-AMINO-2,3-DIHYDROBENZO[B][1,4]DIOXINE-5-CARBOXYLIC ACID

C9H9NO4 (195.0531554)


   

Benzoic acid, 2,6-dimethyl-3-nitro-

Benzoic acid, 2,6-dimethyl-3-nitro-

C9H9NO4 (195.0531554)


   

1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)

1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)

C9H10ClN3 (195.056321)


   

2-Pyrrolidinecarboxaldehyde, 1-(trifluoroacetyl)- (9CI)

2-Pyrrolidinecarboxaldehyde, 1-(trifluoroacetyl)- (9CI)

C7H8F3NO2 (195.0507104)


   

5-(4-chlorophenyl)pyrrolidin-2-one

5-(4-chlorophenyl)pyrrolidin-2-one

C10H10ClNO (195.045088)


   

2-Methoxy-4-[(E)-2-nitrovinyl]phenol

2-Methoxy-4-[(E)-2-nitrovinyl]phenol

C9H9NO4 (195.0531554)


   

2-Methoxy-5-Nitroacetophenone

2-Methoxy-5-Nitroacetophenone

C9H9NO4 (195.0531554)


   

2-(4-chlorophenoxy)-2-methylpropanenitrile

2-(4-chlorophenoxy)-2-methylpropanenitrile

C10H10ClNO (195.045088)


   

(R)-4-Carboxyphenylglycine

(R)-4-Carboxyphenylglycine

C9H9NO4 (195.0531554)


   

4-(4-Chlorophenyl)-2-pyrrolidinone

4-(4-Chlorophenyl)-2-pyrrolidinone

C10H10ClNO (195.045088)


   

2,4-Pyridinedicarboxylicacid, 2,4-dimethyl ester

2,4-Pyridinedicarboxylicacid, 2,4-dimethyl ester

C9H9NO4 (195.0531554)


   

Dimethyl pyridine-3,5-dicarboxylate

Dimethyl pyridine-3,5-dicarboxylate

C9H9NO4 (195.0531554)


   

2(3H)-Benzothiazolone,4-methoxy-,hydrazone(9CI)

2(3H)-Benzothiazolone,4-methoxy-,hydrazone(9CI)

C8H9N3OS (195.0466304)


   

3-(2-IMIDAZOLYL)ANILINE HYDROCHLORIDE

3-(2-IMIDAZOLYL)ANILINE HYDROCHLORIDE

C9H10ClN3 (195.056321)


   

5-Methoxyisoquinoline hydrochloride (1:1)

5-Methoxyisoquinoline hydrochloride (1:1)

C10H10ClNO (195.045088)


   

8-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

8-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

C10H10ClNO (195.045088)


   

6-CHLORO-1,3,4-TRIMETHYL-1H-PYRAZOLO(3,4-B)PYRIDINE

6-CHLORO-1,3,4-TRIMETHYL-1H-PYRAZOLO(3,4-B)PYRIDINE

C9H10ClN3 (195.056321)


   

METHYL 3-METHYL-4-NITROBENZOATE

METHYL 3-METHYL-4-NITROBENZOATE

C9H9NO4 (195.0531554)


   

2-Amino-5-(methoxycarbonyl)benzoic acid

2-Amino-5-(methoxycarbonyl)benzoic acid

C9H9NO4 (195.0531554)


   

2-(3-methyl-4-nitrophenyl)acetic acid

2-(3-methyl-4-nitrophenyl)acetic acid

C9H9NO4 (195.0531554)


   

(4-CARBAMOYLPHENOXY)ACETIC ACID

(4-CARBAMOYLPHENOXY)ACETIC ACID

C9H9NO4 (195.0531554)


   

METHYL2,3-DIHYDRO-[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBOXYLATE

METHYL2,3-DIHYDRO-[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBOXYLATE

C9H9NO4 (195.0531554)


   

4-Chloro-1-ethyl-1H-indazol-3-amine

4-Chloro-1-ethyl-1H-indazol-3-amine

C9H10ClN3 (195.056321)


   

2-Chloro-6-isopropoxybenzonitrile

2-Chloro-6-isopropoxybenzonitrile

C10H10ClNO (195.045088)


   

2-(ETHOXYCARBONYL)ISONICOTINIC ACID

2-(ETHOXYCARBONYL)ISONICOTINIC ACID

C9H9NO4 (195.0531554)


   

4-(ETHOXYCARBONYL)PYRIDINE-2-CARBOXYLIC ACID

4-(ETHOXYCARBONYL)PYRIDINE-2-CARBOXYLIC ACID

C9H9NO4 (195.0531554)


   

2-(2-amino-2-oxoethoxy)benzoic acid

2-(2-amino-2-oxoethoxy)benzoic acid

C9H9NO4 (195.0531554)


   

Ethyl 4-nitrobenzoate

Ethyl 4-nitrobenzoate

C9H9NO4 (195.0531554)


   

1-(3-methoxy-4-nitrophenyl)ethanone

1-(3-methoxy-4-nitrophenyl)ethanone

C9H9NO4 (195.0531554)


   

4-Hydrazino-7-nitro-2,1,3-benzoxadiazole

4-Hydrazino-7-nitro-2,1,3-benzoxadiazole

C6H5N5O3 (195.039238)


   

4-Ethyl-3-nitrobenzoic acid

4-Ethyl-3-nitrobenzoic acid

C9H9NO4 (195.0531554)


   

N-(4-CHLOROPHENYL) METHACRYLAMIDE

N-(4-CHLOROPHENYL) METHACRYLAMIDE

C10H10ClNO (195.045088)


   

1-(4-nitrophenoxy)propan-2-one

1-(4-nitrophenoxy)propan-2-one

C9H9NO4 (195.0531554)


   

1-(3-nitrophenoxy)propan-2-one

1-(3-nitrophenoxy)propan-2-one

C9H9NO4 (195.0531554)


   
   

3-Amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

3-Amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C8H9N3OS (195.0466304)


   

1H-Benzimidazol-5-amine,4-chloro-1,2-dimethyl-(9CI)

1H-Benzimidazol-5-amine,4-chloro-1,2-dimethyl-(9CI)

C9H10ClN3 (195.056321)


   

2,4-Dimethyl-5-nitrobenzoic acid

2,4-Dimethyl-5-nitrobenzoic acid

C9H9NO4 (195.0531554)


   

methyl 2-methyl-6-nitrobenzoate

methyl 2-methyl-6-nitrobenzoate

C9H9NO4 (195.0531554)


   

1-(4-Hydroxymethyl-3-nitrophenyl)ethanone

1-(4-Hydroxymethyl-3-nitrophenyl)ethanone

C9H9NO4 (195.0531554)


   

2-methoxy-5-[(E)-2-nitroethenyl]phenol

2-methoxy-5-[(E)-2-nitroethenyl]phenol

C9H9NO4 (195.0531554)


   

2-(chloromethyl)-3-ethylimidazo[4,5-c]pyridine

2-(chloromethyl)-3-ethylimidazo[4,5-c]pyridine

C9H10ClN3 (195.056321)


   

1-(4-Chlorophenyl)-2-pyrrolidinone

1-(4-Chlorophenyl)-2-pyrrolidinone

C10H10ClNO (195.045088)


   

4,5-dimethyl-2-nitrobenzoic acid

4,5-dimethyl-2-nitrobenzoic acid

C9H9NO4 (195.0531554)


   

2H-PYRIMIDO[1,2-B]PYRIDAZIN, 2-CHLORO-7,8-DIMETHYL-

2H-PYRIMIDO[1,2-B]PYRIDAZIN, 2-CHLORO-7,8-DIMETHYL-

C9H10ClN3 (195.056321)


   

3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-

3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-

C9H9NO4 (195.0531554)


   

5-Ethyl-2,3-pyridinedicarboxylic acid

5-Ethyl-2,3-pyridinedicarboxylic acid

C9H9NO4 (195.0531554)


   

2-(3-Nitrophenyl)-1,3-dioxolane

2-(3-Nitrophenyl)-1,3-dioxolane

C9H9NO4 (195.0531554)


   

1H-Benzimidazole-2-methanamine,5-chloro-N-methyl-(9CI)

1H-Benzimidazole-2-methanamine,5-chloro-N-methyl-(9CI)

C9H10ClN3 (195.056321)


   

(5-(5-METHYLTHIOPHEN-2-YL)-1,3,4-OXADIAZOL-2-YL)METHANAMINE

(5-(5-METHYLTHIOPHEN-2-YL)-1,3,4-OXADIAZOL-2-YL)METHANAMINE

C8H9N3OS (195.0466304)


   

1H-Benzimidazol-2-amine,5-chloro-N,1-dimethyl-(9CI)

1H-Benzimidazol-2-amine,5-chloro-N,1-dimethyl-(9CI)

C9H10ClN3 (195.056321)


   

1H-Imidazo[4,5-c]pyridine,4-(chloromethyl)-1,2-dimethyl-(9CI)

1H-Imidazo[4,5-c]pyridine,4-(chloromethyl)-1,2-dimethyl-(9CI)

C9H10ClN3 (195.056321)


   

2-(2-nitrophenyl)-1,3-dioxolane

2-(2-nitrophenyl)-1,3-dioxolane

C9H9NO4 (195.0531554)


   

3,4-Dimethyl-2-nitrobenzoic acid

3,4-Dimethyl-2-nitrobenzoic acid

C9H9NO4 (195.0531554)


   

(2-amino-5-chlorophenyl)-cyclopropylmethanone

(2-amino-5-chlorophenyl)-cyclopropylmethanone

C10H10ClNO (195.045088)


   

2-tert-butylsulfonylethanethioamide

2-tert-butylsulfonylethanethioamide

C6H13NO2S2 (195.0387678)


   

Benzoic acid, 2-nitro-,ethyl ester

Benzoic acid, 2-nitro-,ethyl ester

C9H9NO4 (195.0531554)


   

4-HYDROXYBENZALDEHYDE THIOSEMI-CARBAZONE

4-HYDROXYBENZALDEHYDE THIOSEMI-CARBAZONE

C8H9N3OS (195.0466304)


   

(S)-2-((4-NITROPHENOXY)METHYL)OXIRANE

(S)-2-((4-NITROPHENOXY)METHYL)OXIRANE

C9H9NO4 (195.0531554)


   

4-(2-Chlorophenyl)-2-pyrrolidinone

4-(2-Chlorophenyl)-2-pyrrolidinone

C10H10ClNO (195.045088)


   

3-Nitrobenzyl acetate

3-Nitrobenzyl acetate

C9H9NO4 (195.0531554)


   

Methyl 2-methyl-5-nitrobenzoate

Methyl 2-methyl-5-nitrobenzoate

C9H9NO4 (195.0531554)


   

5-METHYL-2-NITROPHENYLACETIC ACID

5-METHYL-2-NITROPHENYLACETIC ACID

C9H9NO4 (195.0531554)


   

Benzoic acid, 3-(acetylamino)-5-hydroxy

Benzoic acid, 3-(acetylamino)-5-hydroxy

C9H9NO4 (195.0531554)


   

4-Acetamido-3-hydroxybenzoic acid

4-Acetamido-3-hydroxybenzoic acid

C9H9NO4 (195.0531554)


   

4-(2-HYDROXY-ETHYLAMINO)-1,1-DIOXO-TETRAHYDRO-1L6-THIOPHEN-3-OL

4-(2-HYDROXY-ETHYLAMINO)-1,1-DIOXO-TETRAHYDRO-1L6-THIOPHEN-3-OL

C6H13NO4S (195.0565258)


   

Benzenemethanol,4-nitro-, 1-acetate

Benzenemethanol,4-nitro-, 1-acetate

C9H9NO4 (195.0531554)


   

7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine

7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine

C9H9NO4 (195.0531554)


   

(R)-2-((4-NITROPHENOXY)METHYL)OXIRANE

(R)-2-((4-NITROPHENOXY)METHYL)OXIRANE

C9H9NO4 (195.0531554)


   

(2R,3R)-(+)-2,3-EPOXY-3-(4-NITROPHENYL)-1-PROPANOL

(2R,3R)-(+)-2,3-EPOXY-3-(4-NITROPHENYL)-1-PROPANOL

C9H9NO4 (195.0531554)


   

3-(4-nitrophenyl)propanoic acid

3-(4-nitrophenyl)propanoic acid

C9H9NO4 (195.0531554)


   

5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine

5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine

C9H10ClN3 (195.056321)


   

2-(4-chloro-3,5-dimethylphenoxy)acetonitrile

2-(4-chloro-3,5-dimethylphenoxy)acetonitrile

C10H10ClNO (195.045088)


   

4-Nitrophenyl propionate

4-Nitrophenyl propionate

C9H9NO4 (195.0531554)


   

1H-Benzimidazole-4-carboxylicacid,2-amino-5-fluoro-(9CI)

1H-Benzimidazole-4-carboxylicacid,2-amino-5-fluoro-(9CI)

C8H6FN3O2 (195.0444028)


   

Dimethyl 2,5-pyridinedicarboxylate

Dimethyl 2,5-pyridinedicarboxylate

C9H9NO4 (195.0531554)


   

6-Methoxyisoquinoline hydrochloride (1:1)

6-Methoxyisoquinoline hydrochloride (1:1)

C10H10ClNO (195.045088)


   

Ethanone,1-(4-methoxy-3-nitrophenyl)-

Ethanone,1-(4-methoxy-3-nitrophenyl)-

C9H9NO4 (195.0531554)


   

2-(2-IMIDAZOLYL)ANILINE HYDROCHLORIDE

2-(2-IMIDAZOLYL)ANILINE HYDROCHLORIDE

C9H10ClN3 (195.056321)


   

2-Amino-2-(benzo[d][1,3]dioxol-5-yl)acetic acid

2-Amino-2-(benzo[d][1,3]dioxol-5-yl)acetic acid

C9H9NO4 (195.0531554)


   

Temozolomide-8-carboxylic acid

Temozolomide-8-carboxylic acid

C6H5N5O3 (195.039238)


   

Methyl 2-methyl-4-nitrobenzoate

Methyl 2-methyl-4-nitrobenzoate

C9H9NO4 (195.0531554)


   

7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

C10H10ClNO (195.045088)


   

2-(2-methyl-6-nitrophenyl)acetic acid

2-(2-methyl-6-nitrophenyl)acetic acid

C9H9NO4 (195.0531554)


   

3-(3-Nitrophenyl)propanoic acid

3-(3-Nitrophenyl)propanoic acid

C9H9NO4 (195.0531554)


   

4-METHYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL

4-METHYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL

C8H9N3OS (195.0466304)


   

(2R)-2-[(3-nitrophenoxy)methyl]oxirane

(2R)-2-[(3-nitrophenoxy)methyl]oxirane

C9H9NO4 (195.0531554)


   

Salicylic aldehyde thiosemicarbazone

Salicylic aldehyde thiosemicarbazone

C8H9N3OS (195.0466304)


   

2-(AMINO-CARBOXY-METHYL)-BENZOIC ACID

2-(AMINO-CARBOXY-METHYL)-BENZOIC ACID

C9H9NO4 (195.0531554)


   

Pyrrolo[2,1:2,3]imidazo[4,5-e]benzotriazole (9CI)

Pyrrolo[2,1:2,3]imidazo[4,5-e]benzotriazole (9CI)

C10H5N5 (195.054493)


   

AMINO-BENZO[1,3]DIOXOL-4-YL-ACETIC ACID

AMINO-BENZO[1,3]DIOXOL-4-YL-ACETIC ACID

C9H9NO4 (195.0531554)


   

2-hydroxy-5-methyl-3-nitroacetophenone

2-hydroxy-5-methyl-3-nitroacetophenone

C9H9NO4 (195.0531554)


   

4-CHLORO-5-ISOPROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE

4-CHLORO-5-ISOPROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE

C9H10ClN3 (195.056321)


   

4-HYDRAZINOQUINOLINE HYDROCHLORIDE

4-HYDRAZINOQUINOLINE HYDROCHLORIDE

C9H10ClN3 (195.056321)


   

(s)-2-((3-nitrophenoxy)methyl)oxirane

(s)-2-((3-nitrophenoxy)methyl)oxirane

C9H9NO4 (195.0531554)


   

(s)-2-((2-nitrophenoxy)methyl)oxirane

(s)-2-((2-nitrophenoxy)methyl)oxirane

C9H9NO4 (195.0531554)


   

(2-Methyl-3-nitrophenyl)acetic acid

(2-Methyl-3-nitrophenyl)acetic acid

C9H9NO4 (195.0531554)


   

2-(4-methyl-3-nitrophenyl)acetic acid

2-(4-methyl-3-nitrophenyl)acetic acid

C9H9NO4 (195.0531554)


   

2,5-dimethyl-4-nitro-benzoic acid

2,5-dimethyl-4-nitro-benzoic acid

C9H9NO4 (195.0531554)


   

3-Amino-4-(carboxymethyl)benzoic acid

3-Amino-4-(carboxymethyl)benzoic acid

C9H9NO4 (195.0531554)


   
   

methyl 2-(2-nitrophenyl)acetate

methyl 2-(2-nitrophenyl)acetate

C9H9NO4 (195.0531554)


   

Methyl 2-methyl-3-nitrobenzoate

Methyl 2-methyl-3-nitrobenzoate

C9H9NO4 (195.0531554)


   

7-AMINONAPHTHALEN-1-OL HYDROCHLORIDE

7-AMINONAPHTHALEN-1-OL HYDROCHLORIDE

C10H10ClNO (195.045088)


   

methyl3-methyl-2-nitrobenzoate

methyl3-methyl-2-nitrobenzoate

C9H9NO4 (195.0531554)


   

2-Amino-4-(methoxycarbonyl)benzoic acid

2-Amino-4-(methoxycarbonyl)benzoic acid

C9H9NO4 (195.0531554)


   

5-(2-chloroethyl)-1,3-dihydroindol-2-one

5-(2-chloroethyl)-1,3-dihydroindol-2-one

C10H10ClNO (195.045088)


   

3,5-Dimethyl-2-nitrobenzoic acid

3,5-Dimethyl-2-nitrobenzoic acid

C9H9NO4 (195.0531554)


   

2,4-dihydro-1H-imidazo[1,2-a]benzimidazole,hydrochloride

2,4-dihydro-1H-imidazo[1,2-a]benzimidazole,hydrochloride

C9H10ClN3 (195.056321)


   

(4-METHOXY-PHENOXY)-ACETICACIDHYDRAZIDE

(4-METHOXY-PHENOXY)-ACETICACIDHYDRAZIDE

C9H9NO4 (195.0531554)


   

2-(5-chloro-1h-benzoimidazol-2-yl)-ethylamine

2-(5-chloro-1h-benzoimidazol-2-yl)-ethylamine

C9H10ClN3 (195.056321)


   

Methyl (4-nitrophenyl)acetate

Methyl 2-(4-nitrophenyl)acetate

C9H9NO4 (195.0531554)


   

Phenol,2-methoxy-4-[(1E)-2-nitroethenyl]-

Phenol,2-methoxy-4-[(1E)-2-nitroethenyl]-

C9H9NO4 (195.0531554)


   

2,6-DIAMINO-3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE

2,6-DIAMINO-3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE

C6H5F4N3 (195.0419578)


   

3-Amino-4-(methoxycarbonyl)benzoic acid

3-Amino-4-(methoxycarbonyl)benzoic acid

C9H9NO4 (195.0531554)


   
   

tert-Butyl methylsulfonylcarbamate

tert-Butyl methylsulfonylcarbamate

C6H13NO4S (195.0565258)


   

3-Amino-5-(methoxycarbonyl)benzoic acid

3-Amino-5-(methoxycarbonyl)benzoic acid

C9H9NO4 (195.0531554)


   

Quinoxalin-6-yl-Methylamine hydrochloride

Quinoxalin-6-yl-Methylamine hydrochloride

C9H10ClN3 (195.056321)


   

2-(4-nitrophenyl)propionic acid

2-(4-nitrophenyl)propionic acid

C9H9NO4 (195.0531554)


   

4-Amino-3-(methoxycarbonyl)benzoic acid

4-Amino-3-(methoxycarbonyl)benzoic acid

C9H9NO4 (195.0531554)


   

7-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

7-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C10H10ClNO (195.045088)


   

(6-BROMO-PYRIDIN-3-YL)-ACETONITRILE

(6-BROMO-PYRIDIN-3-YL)-ACETONITRILE

C9H10ClN3 (195.056321)


   

4-chloro-2,2-dimethyl-1,3-benzoxazine

4-chloro-2,2-dimethyl-1,3-benzoxazine

C10H10ClNO (195.045088)


   

CHEMBRDG-BB 9071172

CHEMBRDG-BB 9071172

C10H10ClNO (195.045088)


   

2-Hydrazino-6-methoxy-1,3-benzothiazole

2-Hydrazino-6-methoxy-1,3-benzothiazole

C8H9N3OS (195.0466304)


   

Methyl 5-methyl-2-nitrobenzoate

Methyl 5-methyl-2-nitrobenzoate

C9H9NO4 (195.0531554)


   

N-Methyl-N-(Methylsulfonyl)glycine Ethyl Ester

N-Methyl-N-(Methylsulfonyl)glycine Ethyl Ester

C6H13NO4S (195.0565258)


   

7-Hydrazinylquinoline hydrochloride

7-Hydrazinylquinoline hydrochloride

C9H10ClN3 (195.056321)


   

1H-Benzotriazole,1-(chloromethyl)-5,6-dimethyl-(9CI)

1H-Benzotriazole,1-(chloromethyl)-5,6-dimethyl-(9CI)

C9H10ClN3 (195.056321)


   

D-gluconate

D-gluconate

C6H11O7- (195.0504756)


A gluconate having D-configuration.

   

L-Gulonate

L-Gulonate

C6H11O7- (195.0504756)


The L-enantiomer of gulonate.

   

3-Acetamido-4-hydroxybenzoic acid

3-Acetamido-4-hydroxybenzoic acid

C9H9NO4 (195.0531554)


   

2-Benzoylhydrazinecarbothioamide

2-Benzoylhydrazinecarbothioamide

C8H9N3OS (195.0466304)


   

1,4-Benzodioxan, 7-methyl-6-nitro-

1,4-Benzodioxan, 7-methyl-6-nitro-

C9H9NO4 (195.0531554)


   

3-(2-Hydroxyanilino)-3-oxopropanoic acid

3-(2-Hydroxyanilino)-3-oxopropanoic acid

C9H9NO4 (195.0531554)


   

(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol

(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol

C6H13NO4S (195.0565258)


   

(2e)-3-(3,4-Dihydroxyphenyl)-2-Iminopropanoic Acid

(2e)-3-(3,4-Dihydroxyphenyl)-2-Iminopropanoic Acid

C9H9NO4 (195.0531554)


   

5-Thio-A/B-D-mannopyranosylamine

5-Thio-A/B-D-mannopyranosylamine

C6H13NO4S (195.0565258)


   

(2S)-2-ammonio-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate

(2S)-2-ammonio-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate

C9H9NO4 (195.0531554)


   

L-idonate

L-idonate

C6H11O7- (195.0504756)


An optically active form of idonate having L-configuration; major species at pH 7.3.

   

D-Altronate

D-Altronate

C6H11O7- (195.0504756)


Conjugate base of D-altronic acid.

   

L-Galactonate

L-Galactonate

C6H11O7- (195.0504756)


A galactonate that is the conjugate base of L-galactonic acid.

   

D-Galactonate

D-Galactonate

C6H11O7- (195.0504756)


A galactonate compound having D-configuration.

   

D-Mannonate

D-Mannonate

C6H11O7- (195.0504756)


The D-enantiomer of mannonate.

   
   
   
   
   

beta-Ketotyrosine

beta-Ketotyrosine

C9H9NO4 (195.0531554)


   

(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoate

(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoate

C6H11O7- (195.0504756)


   

L-Alanyl-L-1-aminoethylphosphonic acid

L-Alanyl-L-1-aminoethylphosphonic acid

C5H12N2O4P- (195.05346619999997)


   

3-[2-(Hydroxyamino)phenyl]-3-oxopropanoic acid

3-[2-(Hydroxyamino)phenyl]-3-oxopropanoic acid

C9H9NO4 (195.0531554)


   

(Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

(Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

C9H9NO4 (195.0531554)


   

2-(N-Morpholino)-ethanesulfonic acid

2-(N-Morpholino)-ethanesulfonic acid

C6H13NO4S (195.0565258)


   

Dopachrome o-semiquinone

Dopachrome o-semiquinone

C9H9NO4 (195.0531554)


   

1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde

1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde

C9H9NO4 (195.0531554)


   

(2Z)-2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid

(2Z)-2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid

C9H9NO4 (195.0531554)


   

2-carboxylato-D-arabinitol(1-)

2-carboxylato-D-arabinitol(1-)

C6H11O7- (195.0504756)


   

(4-Methoxybenzoyl)carbamic acid

(4-Methoxybenzoyl)carbamic acid

C9H9NO4 (195.0531554)


   

3-Carboxy-2-hydroxy-6-methoxybenzenediazonium

3-Carboxy-2-hydroxy-6-methoxybenzenediazonium

C8H7N2O4+ (195.0405802)


   

2-[(4-Nitrophenoxy)methyl]oxirane

1,2-Epoxy-3-(p-nitrophenoxy)propane

C9H9NO4 (195.0531554)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

Leucodopachrome

Leucodopachrome

C9H9NO4 (195.0531554)


Indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2.

   

Dopaquinone

L-dopaquinone

C9H9NO4 (195.0531554)


An L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group.

   

4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid

4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid

C9H9NO4 (195.0531554)


   

3-hydroxyhippuric acid

3-hydroxyhippuric acid

C9H9NO4 (195.0531554)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.

   

2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

C9H9NO4 (195.0531554)


   

L-dopaquinone zwitterion

L-dopaquinone zwitterion

C9H9NO4 (195.0531554)


Zwitterionic form of L-dopaquinone arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

   

leucopterin (keto form)

leucopterin (keto form)

C6H5N5O3 (195.039238)


A member of the class of pterins that is 3,4,5,6,7,8-hexahydropteridine substituted by an amino group at position 2 and oxo groups at positions 4, 6 and 7. It is a pigment found in the wings of butterflies.

   

N-(2-hydroxyphenyl)malonamic acid

N-(2-hydroxyphenyl)malonamic acid

C9H9NO4 (195.0531554)


A dicarboxylic acid monoamide that is malonamic acid in which the amino group is substituted by a (2-hydroxyphenyl)amino group.

   

leucopterin (enol form)

leucopterin (enol form)

C6H5N5O3 (195.039238)


A member of the class of pteridines that is pteridine substituted by an amino group at position 2 and hydroxy groups at positions 4, 6 and 7.

   

Acetamidohydroxybenzoic acid

Acetamidohydroxybenzoic acid

C9H9NO4 (195.0531554)


   
   

Hydroxyhippuric acid

Hydroxyhippuric acid

C9H9NO4 (195.0531554)


   

N-Morpholinoethanesulfonic acid

N-Morpholinoethanesulfonic acid

C6H13NO4S (195.0565258)


   

(2z)-2-(n-hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid

(2z)-2-(n-hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid

C9H9NO4 (195.0531554)


   

3-hydroxy-4-[(1-hydroxyethylidene)amino]benzoic acid

3-hydroxy-4-[(1-hydroxyethylidene)amino]benzoic acid

C9H9NO4 (195.0531554)