Exact Mass: 173.9841

Exact Mass Matches: 173.9841

Found 469 metabolites which its exact mass value is equals to given mass value 173.9841, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Juglone

InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12

C10H6O3 (174.0317)


Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a herbicide, a reactive oxygen species generator and a geroprotector. Juglone is a natural product found in Talaromyces diversus, Carya alba, and other organisms with data available. Occurs in Juglans subspecies and pecan nuts (Carya illinoensis). Juglone is found in many foods, some of which are common walnut, liquor, black walnut, and nuts. Juglone is found in black walnut. Juglone occurs in Juglans species and pecan nuts (Carya illinoensis D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

Aconitate [cis or trans]

(1Z)-prop-1-ene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


cis-Aconitic acid is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. The enzyme aconitase (aconitate hydratase; EC 4.2.1.3) catalyses the stereo-specific isomerization of citrate to isocitrate via cis-aconitate in the tricarboxylic acid cycle. Present in apple fruits, maple syrup and passion fruit juice cis-Aconitic acid, also known as (Z)-aconitic acid, plays several important biological roles: Intermediate in the Citric Acid Cycle: cis-Aconitic acid is an intermediate in the tricarboxylic acid (TCA) cycle, also known as the Krebs cycle or citric acid cycle. It is formed from citrate by the enzyme aconitase and is rapidly converted into isocitrate, another key intermediate in the cycle. The TCA cycle is central to cellular respiration, generating energy-rich molecules like NADH and FADH2. Regulation of Aconitase Activity: The conversion of citrate to cis-aconitate and then to isocitrate by aconitase is an important regulatory step in the TCA cycle. This conversion helps in maintaining the balance of the cycle and is influenced by factors like the energy status of the cell. Role in Cholesterol Synthesis: cis-Aconitic acid is also involved in the synthesis of cholesterol. It serves as a precursor for the synthesis of mevalonate, a key intermediate in the cholesterol biosynthesis pathway. Potential Involvement in Disease: Altered metabolism or accumulation of cis-aconitic acid has been associated with certain diseases, including neurodegenerative disorders and cancer. Its role in these conditions is an area of ongoing research. Plant Growth and Development: In plants, cis-aconitic acid has been found to play a role in growth and development, including seed germination and leaf senescence. In summary, cis-aconitic acid is a crucial intermediate in the TCA cycle, impacting energy production and various metabolic pathways in cells. Its role extends to cholesterol synthesis and potentially to various disease processes, highlighting its importance in cellular metabolism and physiology. cis-Aconitic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=585-84-2 (retrieved 2024-07-01) (CAS RN: 585-84-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.

   

4-Sulfophenol

4-Hydroxybenzenesulfonic acid

C6H6O4S (173.9987)


4-Hydroxybenzenesulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=98-67-9 (retrieved 2024-08-06) (CAS RN: 98-67-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Phenyl dihydrogen phosphate

Phenylphosphate, monopotassium salt

C6H7O4P (174.0082)


CONFIDENCE standard compound; INTERNAL_ID 2498 KEIO_ID P033

   

Lawsone

4-08-00-02360 (Beilstein Handbook Reference)

C10H6O3 (174.0317)


2-hydroxy-1,4-naphthoquinone appears as yellow prisms or yellow powder. (NTP, 1992) Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as a protective agent and an antifungal agent. It is a tautomer of a naphthalene-1,2,4-trione. 2-Hydroxy-1,4-naphthoquinone is a natural product found in Impatiens noli-tangere, Lawsonia inermis, and other organisms with data available. D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].

   

Dehydroascorbic acid

(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione

C6H6O6 (174.0164)


Dehydroascorbic acid (DHA) is an oxidized form of ascorbic acid (vitamin C). It is actively imported into the endoplasmic reticulum of cells via glucose transporters. It is trapped therein by reduction back to ascorbate by glutathione and other thiols. Dehydroascorbic acid, also known as L-dehydroascorbate or DHAA, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dehydroascorbic acid has similar biological activity as ascorbic acid. Currently dehydroascorbic acid is an experimental drug with no known approved indications. Dehydroascorbic acid may be a unique E. coli metabolite. Norepinephrine and dehydroascorbic acid can be biosynthesized from dopamine and ascorbic acid through its interaction with the enzyme dopamine beta-hydroxylase. In humans, dehydroascorbic acid is involved in the metabolic disorder called tyrosinemia type I. Concerning dehydroascorbic acids antiviral effect against herpes simplex virus type 1, it is suggested that dehydroascorbic acid acts after replication of viral DNA and prevents the assembly of progeny virus particles. This is important because one study has found that after an ischemic stroke, dehydroascorbic acid has neuroprotective effects by reducing infarct volume, neurological deficits, and mortality. This reaction is reversible, but dehydroascorbic acid can instead undergo irreversible hydrolysis to 2,3-diketogulonic acid. In addition, unlike ascorbic Dehydroascorbic acid acid can cross the blood brain barrier and is then converted to ascorbic acid to enable retention in the brain. Dehydroascorbic acid is made from the oxidation of ascorbic acid. The exact mechanism of action is still being investigated, but some have been elucidated. Both compounds have been shown to have antiviral effects against herpes simplex virus type 1, influenza virus type A and poliovirus type 1 with dehydroascorbic acid having the stronger effect. In the body, both dehydroascorbic acid and ascorbic acid have similar biological activity as antivirals but dehydroascorbic acid also has neuroprotective effects. Even though dehydroascorbic acid and ascorbic acid have similar effects, their mechanism of action seems to be different. Dehydroascorbic acid, also known as dehydroascorbate, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dehydroascorbic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Dehydroascorbic acid can be found in a number of food items such as white cabbage, gram bean, mexican groundcherry, and common pea, which makes dehydroascorbic acid a potential biomarker for the consumption of these food products. Dehydroascorbic acid may be a unique E.coli metabolite. Dehydroascorbic acid (DHA) is an oxidized form of ascorbic acid (vitamin C). It is actively imported into the endoplasmic reticulum of cells via glucose transporters. It is trapped therein by reduction back to ascorbate by glutathione and other thiols. The (free) chemical radical semidehydroascorbic acid (SDA) also belongs to the group of oxidized ascorbic acids . D018977 - Micronutrients > D014815 - Vitamins Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.

   

Phenol sulfate

Phenol sulfate

C6H6O4S (173.9987)


Phenol sulphate, also known as phenylsulfate or aryl sulphate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfate group conjugated to a phenyl group. In normal humans, phenol sulphate is primarily a gut-derived metabolite that arises from the activity of the bacterial enzyme tyrosine phenol-lyase, which is responsible for the synthesis of phenol from dietary tyrosine (PMID: 31015435). Phenol sulphate can also arise from the consumption of phenol or from phenol poisoning (PMID: 473790). Phenol sulphate is produced from the conjugation of phenol with sulphate in the liver. In particular, phenol sulphate can be biosynthesized from phenol and phosphoadenosine phosphosulfate through the action of the enzyme sulfotransferase 1A1 in the liver. Phenol sulphate can be found in most mammals (mice, rats, sheep, dogs, humans) and likely most animals. Phenol sulphate is a uremic toxin (PMID: 30068866). It is a protein-bound uremic solute that induces reactive oxygen species (ROS) production and decreases glutathione levels, rendering cells vulnerable to oxidative stress (PMID: 29474405). In experimental models of diabetes, phenol sulphate administration has been shown to induce albuminuria and podocyte damage. In a diabetic patient cohort, phenol sulphate levels were found to significantly correlate with basal and predicted 2-year progression of albuminuria in patients with microalbuminuria (PMID: 31015435).

   

cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

2-(4-chloro-5-oxo-2,5-dihydrofuran-2-ylidene)acetic acid

C6H3ClO4 (173.972)


This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.

   

Phenylmethylsulfonyl fluoride

Fluoride, benzenemethanesulfonyl

C7H7FO2S (174.0151)


Component of corn gluten (Zea mays). obtained comly. by extraction of corn gluten with alkaline aq. 2-propanol. Moisture control agent. It is used in edible coatings for nuts and other foods and as a binder in confectionery glazes. GRAS approved D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

5-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid

C7H7FO4 (174.0328)


   

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

C7H7FO4 (174.0328)


   

4-Fluoro-1,2-dihydroxy-1,2-dihydrobenzoic acid

4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

C7H7FO4 (174.0328)


   

6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

C7H7FO4 (174.0328)


   

2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

C7H7FO4 (174.0328)


   

trans-Aconitic acid

(1E)-prop-1-ene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


trans-Aconitic acid, also known as trans-aconitate or (e)-aconitic acid, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. trans-Aconitic acid exists in all living species, ranging from bacteria to humans. trans-Aconitic acid is a dry, musty, and nut tasting compound. Outside of the human body, trans-aconitic acid has been detected, but not quantified in several different foods, such as garden tomato fruits, root vegetables, soy beans, and rices. trans-Aconitic acid is normally present in human urine, and it has been suggested that is present in larger amounts with Reyes syndrome and organic aciduria. trans-Aconitic acid in the urine is a biomarker for the consumption of soy products. trans-Aconitic acid is a substrate of enzyme trans-Aconitic acid 2-methyltransferase (EC2.1.1.144). Isolated from Asarum europaeum, from cane-sugar molasses, roasted chicory root, roasted malt barley, passion fruit, sorghum root and sugar beet. Flavouring agent used in fruit flavours and alcoholic beverages. Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase. Trans-aconitate in the urine is a biomarker for the consumption of soy products. (E)-Aconitic acid is found in many foods, some of which are cereals and cereal products, rice, garden tomato (variety), and root vegetables. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A117 trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.

   

trans-2-Chlorodienelactone

trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

C6H3ClO4 (173.972)


   

Brassilexin

8H-[1,2]thiazolo[5,4-b]indole

C9H6N2S (174.0252)


Isolated from leaves of brown mustard (Brassica juncea) (Cruciferae). Brassilexin is found in many foods, some of which are cauliflower, chinese mustard, herbs and spices, and chinese cabbage. Brassilexin is found in brassicas. Brassilexin is isolated from leaves of brown mustard (Brassica juncea) (Cruciferae

   

1-Oxo-1H-2-benzopyran-3-carboxaldehyde

1-Oxo-1H-2-benzopyran-3-carboxaldehyde

C10H6O3 (174.0317)


1-Oxo-1H-2-benzopyran-3-carboxaldehyde is found in herbs and spices. 1-Oxo-1H-2-benzopyran-3-carboxaldehyde is isolated from tarragon (Artemisia dracunculus

   

2,5-Dimethyl-3-(methyldithio)furan

2,5-Dimethyl-3-furanyl methyl disulfide

C7H10OS2 (174.0173)


2,5-Dimethyl-3-(methyldithio)furan is found in coffee and coffee products. 2,5-Dimethyl-3-(methyldithio)furan is a component of coffee aroma. Component of coffee aroma. 2,5-Dimethyl-3-(methyldithio)furan is found in coffee and coffee products.

   

Dehydroascorbide(1-)

5-(1,2-dihydroxyethyl)-4-hydroxy-2,3-dihydrofuran-2,3-dione

C6H6O6 (174.0164)


Dehydroascorbide(1-) is classified as a member of the Furanones. Furanones are compounds containing a furan ring bearing a ketone group. Dehydroascorbide(1-) is considered to be soluble (in water) and acidic COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-(Trifluoromethyl)benzaldehyde

Para-(trifluoromethyl)benzaldehyde

C8H5F3O (174.0292)


   

2,2,2-Trifluoroacetophenone

2,2,2-trifluoro-1-phenylethan-1-one

C8H5F3O (174.0292)


   

5-Fluoroorotic acid

5-fluoro-2,6-dihydroxypyrimidine-4-carboxylic acid

C5H3FN2O4 (174.0077)


   

Aconitic acid

prop-1-ene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


   

Lawsone

4-hydroxy-1,2-dihydronaphthalene-1,2-dione

C10H6O3 (174.0317)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].

   

p-TOLUENESULFONYL FLUORIDE

4-Methylbenzene-1-sulphonyl fluoride

C7H7FO2S (174.0151)


   

Phenyl phosphonothioate

Phenyl phosphonothioic acid

C6H7O2PS (173.9904)


   

Naphthalene-1,2,4-trione

1,2,3,4-tetrahydronaphthalene-1,2,4-trione

C10H6O3 (174.0317)


   

Magnesium hydrogen phosphate trihydrate

Magnesium hydrogen phosphoric acid trihydric acid

H7MgO7P (173.978)


It is used as a food additive

   

Pyridin-3-yl sulfate

3-Hydroxypyridine sulphuric acid(1-)

C5H4NO4S- (173.9861)


   

O-Phenolsulfonic acid

2-hydroxybenzene-1-sulfonic acid

C6H6O4S (173.9987)


   

cis-Aconitic acid

1-Propene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


(Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.

   

Dehydroascorbate

L-Dehydroascorbic acid

C6H6O6 (174.0164)


Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.

   

(E)-10-Hydroxy-2-decene-4,6,8-triynoic acid|10-Hydroxy-dec-2t-en-4,6,8-triin-1-saeure|10-Hydroxy-dec-2t-en-4,6,8-triinsaeure|10-hydroxy-dec-2t-ene-4,6,8-triynoic acid|10-Hydroxy-decen-(2t)-triyn-(4,6,8)-saeure-(1)|Diatretin-3

(E)-10-Hydroxy-2-decene-4,6,8-triynoic acid|10-Hydroxy-dec-2t-en-4,6,8-triin-1-saeure|10-Hydroxy-dec-2t-en-4,6,8-triinsaeure|10-hydroxy-dec-2t-ene-4,6,8-triynoic acid|10-Hydroxy-decen-(2t)-triyn-(4,6,8)-saeure-(1)|Diatretin-3

C10H6O3 (174.0317)


   

gammar-Lactone-(1R,2S)-Isocitric acid

gammar-Lactone-(1R,2S)-Isocitric acid

C6H6O6 (174.0164)


   

m-Phenolsulfonic acid

m-Phenolsulfonic acid

C6H6O4S (173.9987)


   

3-chloro-5-(hydroxymethyl)benzene-1,2-diol

3-chloro-5-(hydroxymethyl)benzene-1,2-diol

C7H7ClO3 (174.0084)


   

Chloromethoxymethyl ether

Chloromethoxymethyl ether

C4H8Cl2O3 (173.985)


   

phosphoric acid-(2-chloro-ethyl ester)-methyl ester|Phosphorsaeure-(2-chlor-aethylester)-methylester

phosphoric acid-(2-chloro-ethyl ester)-methyl ester|Phosphorsaeure-(2-chlor-aethylester)-methylester

C3H8ClO4P (173.9849)


   

3-(BROMOMETHYL)CYCLOHEXENE

3-(BROMOMETHYL)CYCLOHEXENE

C7H11Br (174.0044)


   

dichloro(phenoxy)borane

dichloro(phenoxy)borane

C6H5BCl2O (173.981)


   

1,6-Dioxaacenaphthylene-7(2H)-one

1,6-Dioxaacenaphthylene-7(2H)-one

C10H6O3 (174.0317)


   

Benzyl alcohol, 3-chloro-2,5-dihydroxy-

Benzyl alcohol, 3-chloro-2,5-dihydroxy-

C7H7ClO3 (174.0084)


   

Decen-(8)-triin-(2,4,6)-ol-(10)-saeure-(1)

Decen-(8)-triin-(2,4,6)-ol-(10)-saeure-(1)

C10H6O3 (174.0317)


   
   

cis-Aconitic acid

1-Propene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


The cis-isomer of aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.

   

trans-Aconitic acid

1-Propene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


The trans-isomer of aconitic acid. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.

   

Dehydroascorbic acid

L-Dehydroascorbic acid

C6H6O6 (174.0164)


D018977 - Micronutrients > D014815 - Vitamins Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.

   

Phenylphosphoric acid

Phenylphosphoric acid

C6H7O4P (174.0082)


   

Aconitic acid

1-Propene-1,2,3-tricarboxylic acid

C6H6O6 (174.0164)


Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase. Aconitic acid is found in many foods, some of which are oat, barley, red beetroot, and sunflower. Annotation level-2

   
   

Aconitic acid (not validated, isomer of 273)

Aconitic acid (not validated, isomer of 273)

C6H6O6 (174.0164)


Annotation level-2

   

Aconitic acid (not validated, isomer of 271)

Aconitic acid (not validated, isomer of 271)

C6H6O6 (174.0164)


Annotation level-2

   

3-chloro-2-hydroxypropanesulphonic acid

3-Chloro-2-hydroxypropane-1-sulfonic acid

C3H7ClO4S (173.9754)


CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 685; ORIGINAL_PRECURSOR_SCAN_NO 683 CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 687; ORIGINAL_PRECURSOR_SCAN_NO 683 CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 696; ORIGINAL_PRECURSOR_SCAN_NO 693 CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 681; ORIGINAL_PRECURSOR_SCAN_NO 679 CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 693; ORIGINAL_PRECURSOR_SCAN_NO 691 CONFIDENCE standard compound; INTERNAL_ID 309; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 678; ORIGINAL_PRECURSOR_SCAN_NO 677

   

trans-Aconitate

trans-Aconitate

C6H6O6 (174.0164)


   

Phenol sulfate

Phenol sulfate

C6H6O4S (173.9987)


   

cis-Aconitic acid; LC-tDDA; CE10

cis-Aconitic acid; LC-tDDA; CE10

C6H6O6 (174.0164)


   

cis-Aconitic acid; LC-tDDA; CE20

cis-Aconitic acid; LC-tDDA; CE20

C6H6O6 (174.0164)


   

cis-Aconitic acid; LC-tDDA; CE30

cis-Aconitic acid; LC-tDDA; CE30

C6H6O6 (174.0164)


   

cis-Aconitic acid; LC-tDDA; CE40

cis-Aconitic acid; LC-tDDA; CE40

C6H6O6 (174.0164)


   

PHENOLSULFONIC ACID

PHENOLSULFONIC ACID

C6H6O4S (173.9987)


   

Aconitate

(E)-Aconitic Acid

C6H6O6 (174.0164)


trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.

   

Artemidinal

1-Oxo-1H-2-benzopyran-3-carboxaldehyde

C10H6O3 (174.0317)


   

Brassilexin

8H-[1,2]thiazolo[5,4-b]indole

C9H6N2S (174.0252)


   

2,5-Dimethyl-3-furanyl methyl disulfide

2,5-Dimethyl-3-furanyl methyl disulfide

C7H10OS2 (174.0173)


   

3-(4,5-Dichloroimidazol-1-yl)propyne

3-(4,5-Dichloroimidazol-1-yl)propyne

C6H4Cl2N2 (173.9752)


   

Tetrahydro-3-furanylhydrazine dihydrochloride

Tetrahydro-3-furanylhydrazine dihydrochloride

C4H12Cl2N2O (174.0327)


   

2-chloro-5-methoxy-3-methylpyrimidin-4-one

2-chloro-5-methoxy-3-methylpyrimidin-4-one

C6H7ClN2O2 (174.0196)


   

1H-Imidazole-4-carboxylic acid, 5-(chlorocarbonyl)- (9CI)

1H-Imidazole-4-carboxylic acid, 5-(chlorocarbonyl)- (9CI)

C5H3ClN2O3 (173.9832)


   

3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester

3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester

C6H4F2N2O2 (174.0241)


   

5-(chloromethyl)-2-methylsulfanylpyrimidine

5-(chloromethyl)-2-methylsulfanylpyrimidine

C6H7ClN2S (174.0018)


   

ethyl dichlorofluoroacetate

ethyl dichlorofluoroacetate

C4H5Cl2FO2 (173.9651)


   

4-bromo-1h-pyrazole-5-carbaldehyde

4-bromo-1h-pyrazole-5-carbaldehyde

C4H3BrN2O (173.9429)


   

5-(methylthio)thiophene-2-carboxylic acid

5-(methylthio)thiophene-2-carboxylic acid

C6H6O2S2 (173.9809)


   

3-chloro-2-hydroxy-5-nitropyridine

3-chloro-2-hydroxy-5-nitropyridine

C5H3ClN2O3 (173.9832)


   

6-chloro-2-fluoro-3-methylbenzyl alcohol

6-chloro-2-fluoro-3-methylbenzyl alcohol

C8H8ClFO (174.0248)


   

3-Pyridinesulfonamide,6-hydroxy-(7CI)

3-Pyridinesulfonamide,6-hydroxy-(7CI)

C5H6N2O3S (174.0099)


   

6-Chloro-5-nitropyrimidin-4-amine

6-Chloro-5-nitropyrimidin-4-amine

C4H3ClN4O2 (173.9945)


   

5-ethyl-6-chlorouracil

5-ethyl-6-chlorouracil

C6H7ClN2O2 (174.0196)


   

7-bromobicyclo[2.2.1]heptane

7-bromobicyclo[2.2.1]heptane

C7H11Br (174.0044)


   

4-Bromo-3,5-dimethylpyrazole

4-Bromo-3,5-dimethylpyrazole

C5H7BrN2 (173.9793)


   

4-Bromo-1,2-dimethyl-1H-imidazole

4-Bromo-1,2-dimethyl-1H-imidazole

C5H7BrN2 (173.9793)


   

2-Chloro-3-fluorobenzoic acid

2-Chloro-3-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

4-Bromo-3-ethyl-1H-pyrazole

4-Bromo-3-ethyl-1H-pyrazole

C5H7BrN2 (173.9793)


   

3-Chloro-5-fluoro-4-hydroxybenzaldehyde

3-Chloro-5-fluoro-4-hydroxybenzaldehyde

C7H4ClFO2 (173.9884)


   

5-chloro-3-nitropyridin-2-ol

5-chloro-3-nitropyridin-2-ol

C5H3ClN2O3 (173.9832)


   

3,5-Dichlorobenzaldehyde

3,5-Dichlorobenzaldehyde

C7H4Cl2O (173.9639)


   

4.4.4-TRICHLOROBUTYLENE OXIDE

4.4.4-TRICHLOROBUTYLENE OXIDE

C4H5Cl3O (173.9406)


   

4-FLUOROPHENYL CHLOROFORMATE

4-FLUOROPHENYL CHLOROFORMATE

C7H4ClFO2 (173.9884)


   

1,2-PHENYLENE PHOSPHOROCHLORIDITE

1,2-PHENYLENE PHOSPHOROCHLORIDITE

C6H4ClO2P (173.9637)


   

(6-chloro-4-methoxypyridazin-3-yl)methanol

(6-chloro-4-methoxypyridazin-3-yl)methanol

C6H7ClN2O2 (174.0196)


   

1-(bromomethyl)cyclohex-1-ene

1-(bromomethyl)cyclohex-1-ene

C7H11Br (174.0044)


   

1-Bromo-4-fluorobenzene

1-Bromo-4-fluorobenzene

C6H4BrF (173.948)


   

1-Bromo-3-fluorobenzene

1-Bromo-3-fluorobenzene

C6H4BrF (173.948)


   

Sodium 3-methoxy-3-oxopropane-1-sulfinate

Sodium 3-methoxy-3-oxopropane-1-sulfinate

C4H7NaO4S (173.9963)


   

Natriumphenoxyacetat

Natriumphenoxyacetat

C8H7NaO3 (174.0293)


   

3-Chlorobenzoyl chloride

3-Chlorobenzoyl chloride

C7H4Cl2O (173.9639)


   

1-Chloro-3-ethoxy-5-fluorobenzene

1-Chloro-3-ethoxy-5-fluorobenzene

C8H8ClFO (174.0248)


   

3-METHYLSALICYLIC ACID SODIUM SALT

3-METHYLSALICYLIC ACID SODIUM SALT

C8H7NaO3 (174.0293)


   

2,6-Difluoro-3-hydroxy-phenyl boronic acid

2,6-Difluoro-3-hydroxy-phenyl boronic acid

C6H5BF2O3 (174.03)


   

5-Bromopyrimidin-4(3H)-one

5-Bromopyrimidin-4(3H)-one

C4H3BrN2O (173.9429)


   

4-CHLORO-3-FLUOROPHENETOLE

4-CHLORO-3-FLUOROPHENETOLE

C8H8ClFO (174.0248)


   

2-AMINO-PYRIMIDINE-5-SULFONIC ACID AMIDE

2-AMINO-PYRIMIDINE-5-SULFONIC ACID AMIDE

C4H6N4O2S (174.0211)


   

2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane

2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane

C5H6F4O2 (174.0304)


   

1-Fluoro-2-iodoethane

1-Fluoro-2-iodoethane

C2H4FI (173.9342)


   

2,4-difluoro-6-hydroxybenzoic acid

2,4-difluoro-6-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

2-chloro-5-nitropyrimidin-4-amine

2-chloro-5-nitropyrimidin-4-amine

C4H3ClN4O2 (173.9945)


   

(3,5-difluoro-2-hydroxyphenyl)boronic acid

(3,5-difluoro-2-hydroxyphenyl)boronic acid

C6H5BF2O3 (174.03)


   

4-bromotoluene-2,3,5,6-d4

4-bromotoluene-2,3,5,6-d4

C7H3BrD4 (173.9982)


   

ytterbium hydride

ytterbium hydride

Yb (173.9389)


   

4-Chloro-2,5-dimethoxypyrimidine

4-Chloro-2,5-dimethoxypyrimidine

C6H7ClN2O2 (174.0196)


   

4-Chloro-2-methyl-6-(methylthio)pyrimidine

4-Chloro-2-methyl-6-(methylthio)pyrimidine

C6H7ClN2S (174.0018)


   

4-Chloro-5-nitropyrimidin-2-amine

4-Chloro-5-nitropyrimidin-2-amine

C4H3ClN4O2 (173.9945)


   

2-METHYLBENZO[D]THIAZOLE-5-CARBONITRILE

2-METHYLBENZO[D]THIAZOLE-5-CARBONITRILE

C9H6N2S (174.0252)


   

2-(3-CHLORO-5-METHYL-1H-PYRAZOL-1-YL)ACETIC ACID

2-(3-CHLORO-5-METHYL-1H-PYRAZOL-1-YL)ACETIC ACID

C6H7ClN2O2 (174.0196)


   

5-BROMO-1-ETHYL-1H-PYRAZOLE

5-BROMO-1-ETHYL-1H-PYRAZOLE

C5H7BrN2 (173.9793)


   

METHYL 2-(CHLOROMETHYL)-3-FUROATE

METHYL 2-(CHLOROMETHYL)-3-FUROATE

C7H7ClO3 (174.0084)


   

3,4-difluoro-5-hydroxybenzoic acid

3,4-difluoro-5-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

1-FLUORO-3-(METHYLSULFONYL)BENZENE

1-FLUORO-3-(METHYLSULFONYL)BENZENE

C7H7FO2S (174.0151)


   

4-(chloromethyl)-2-methylsulfanylpyrimidine

4-(chloromethyl)-2-methylsulfanylpyrimidine

C6H7ClN2S (174.0018)


   

2-bromopyrimidin-5-ol

2-bromopyrimidin-5-ol

C4H3BrN2O (173.9429)


   

Potassium 2-furantrifluoroborate

Potassium 2-furantrifluoroborate

C4H3BF3KO (173.9866)


   

1-(2-CARBOXYPHENYL)-2-NITROETHANE

1-(2-CARBOXYPHENYL)-2-NITROETHANE

C8H8ClFO (174.0248)


   

5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

C6H7ClN2O2 (174.0196)


   

Xanthine sodium salt

Xanthine sodium salt

C5H3N4NaO2 (174.0154)


   

1,3-Dimethyl-6-chlorouracil

1,3-Dimethyl-6-chlorouracil

C6H7ClN2O2 (174.0196)


   

1,1,1-TRIS(CHLOROMETHYL)ETHANE

1,1,1-TRIS(CHLOROMETHYL)ETHANE

C5H9Cl3 (173.977)


   

4-CHLORO-2-FLUOROPHENETOLE

4-CHLORO-2-FLUOROPHENETOLE

C8H8ClFO (174.0248)


   

2-chloro-4-ethoxy-1-fluorobenzene

2-chloro-4-ethoxy-1-fluorobenzene

C8H8ClFO (174.0248)


   

3-Chloro-5-fluorobenzoic acid

3-Chloro-5-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

methylaluminoxane

methylaluminoxane

C3H9Al3O3 (173.9998)


   

3-Chloro-4-fluorophenylboronic acid

3-Chloro-4-fluorophenylboronic acid

C6H5BClFO2 (174.0055)


   

3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE

3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE

C5H7BrN2 (173.9793)


   

Naphth[2,3-b]oxirene-2,7-dione,1a,7a-dihydro-

Naphth[2,3-b]oxirene-2,7-dione,1a,7a-dihydro-

C10H6O3 (174.0317)


   

3-Bromo-1,5-dimethyl-1H-pyrazole

3-Bromo-1,5-dimethyl-1H-pyrazole

C5H7BrN2 (173.9793)


   

5-Bromopyrazin-2-ol

5-Bromopyrazin-2-ol

C4H3BrN2O (173.9429)


   

3-NITROANILINE HYDROCHLORIDE

3-NITROANILINE HYDROCHLORIDE

C6H7ClN2O2 (174.0196)


   

4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

C6H7ClN2O2 (174.0196)


   

Ferrous acetate

Ferrous acetate

C4H6FeO4 (173.9615)


   

1-chloro-3-(2-chloroethyl)benzene

1-chloro-3-(2-chloroethyl)benzene

C8H8Cl2 (174.0003)


   

4-CHLORO-5-METHYL-2-(METHYLTHIO)PYRIMIDINE

4-CHLORO-5-METHYL-2-(METHYLTHIO)PYRIMIDINE

C6H7ClN2S (174.0018)


   

2-chloro-1-(5-methylthiophen-2-yl)ethanone

2-chloro-1-(5-methylthiophen-2-yl)ethanone

C7H7ClOS (173.9906)


   

3-FLUORO-4-(METHYLSULFINYL)PHENOL

3-FLUORO-4-(METHYLSULFINYL)PHENOL

C7H7FO2S (174.0151)


   

5-CHLORO-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE

5-CHLORO-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE

C6H7ClN2O2 (174.0196)


   

Potassium p-toluate

Potassium p-toluate

C8H7KO2 (174.0083)


   

4-Chloro-5-nitropyridin-2-ol

4-Chloro-5-nitropyridin-2-ol

C5H3ClN2O3 (173.9832)


   

4,6-Dichloro-2-Methylthio Pyrimidine

4,6-Dichloro-2-Methylthio Pyrimidine

C6H7ClN2S (174.0018)


   

1H-PYRAZOLE-4-CARBOXYLICACID, 3-CHLORO-1-METHYL-, METHYL ESTER

1H-PYRAZOLE-4-CARBOXYLICACID, 3-CHLORO-1-METHYL-, METHYL ESTER

C6H7ClN2O2 (174.0196)


   

3-Fluoro-4-methoxybenzylchloride

3-Fluoro-4-methoxybenzylchloride

C8H8ClFO (174.0248)


   

4-Fluorophenyl methyl sulfone

4-Fluorophenyl methyl sulfone

C7H7FO2S (174.0151)


   

1-(Chloromethyl)-2-fluoro-4-methoxybenzene

1-(Chloromethyl)-2-fluoro-4-methoxybenzene

C8H8ClFO (174.0248)


   

(2-hydroxyphenyl)phosphonic acid

(2-hydroxyphenyl)phosphonic acid

C6H7O4P (174.0082)


   

4-Bromo-1-ethyl-1H-pyrazole

4-Bromo-1-ethyl-1H-pyrazole

C5H7BrN2 (173.9793)


   

1-(chloromethyl)-4-fluoro-2-methoxybenzene

1-(chloromethyl)-4-fluoro-2-methoxybenzene

C8H8ClFO (174.0248)


   

6-Chloro-3-nitro-2-pyridinol

6-Chloro-3-nitro-2-pyridinol

C5H3ClN2O3 (173.9832)


   

2-Chloro-1-(4-fluorophenyl)ethanol

2-Chloro-1-(4-fluorophenyl)ethanol

C8H8ClFO (174.0248)


   

(2-Chloro-6-fluorophenyl)boronic acid

(2-Chloro-6-fluorophenyl)boronic acid

C6H5BClFO2 (174.0055)


   

1-Amino-4-nitrobenzene hydrochloride

1-Amino-4-nitrobenzene hydrochloride

C6H7ClN2O2 (174.0196)


   

5-Bromopyrimidin-2-ol

5-Bromopyrimidin-2-ol

C4H3BrN2O (173.9429)


   

1-(2-BROMOETHYL)-1H-PYRAZOLE

1-(2-BROMOETHYL)-1H-PYRAZOLE

C5H7BrN2 (173.9793)


   

4,6-DICHLORO-2-VINYLPYRIMIDINE

4,6-DICHLORO-2-VINYLPYRIMIDINE

C6H4Cl2N2 (173.9752)


   

Propanedinitrile,2-[1-(2-thienyl)ethylidene]-

Propanedinitrile,2-[1-(2-thienyl)ethylidene]-

C9H6N2S (174.0252)


   

5-Thiazoleacetic acid,2-amino-4,5-dihydro-4-oxo-

5-Thiazoleacetic acid,2-amino-4,5-dihydro-4-oxo-

C5H6N2O3S (174.0099)


   

2-(2-chloro-6-fluorophenyl)ethanol

2-(2-chloro-6-fluorophenyl)ethanol

C8H8ClFO (174.0248)


   

(5-methylsulfanylthiophen-2-yl)boronic acid

(5-methylsulfanylthiophen-2-yl)boronic acid

C5H7BO2S2 (173.9981)


   

5-bromo-1H-pyrazole-3-carbaldehyde

5-bromo-1H-pyrazole-3-carbaldehyde

C4H3BrN2O (173.9429)


   

7-Bromobicyclo[4.1.0]heptane

7-Bromobicyclo[4.1.0]heptane

C7H11Br (174.0044)


   

3,5-Dichloro-1,2,4-triazine-6-carbonitrile

3,5-Dichloro-1,2,4-triazine-6-carbonitrile

C4Cl2N4 (173.95)


   

2-(2,4,5-trifluorophenyl)acetaldehyde

2-(2,4,5-trifluorophenyl)acetaldehyde

C8H5F3O (174.0292)


   

2-CHLORO-N-(3-METHYLISOXAZOL-5-YL)ACETAMIDE

2-CHLORO-N-(3-METHYLISOXAZOL-5-YL)ACETAMIDE

C6H7ClN2O2 (174.0196)


   

Potassium isopropyl xanthanate

Potassium isopropyl xanthanate

C4H7KOS2 (173.9575)


   

5-Bromo-1,3-dimethyl-1H-pyrazole

5-Bromo-1,3-dimethyl-1H-pyrazole

C5H7BrN2 (173.9793)


   

2,4-dichloro-1-ethylbenzene

2,4-dichloro-1-ethylbenzene

C8H8Cl2 (174.0003)


   

1,4-dichloro-2-ethylbenzene

1,4-dichloro-2-ethylbenzene

C8H8Cl2 (174.0003)


   

calcium succinate

calcium succinate

C4H6CaO5 (173.9841)


   

Potassium phenylacetate

Potassium phenylacetate

C8H7KO2 (174.0083)


   

tert-Butylphosphonic dichloride

tert-Butylphosphonic dichloride

C4H9Cl2OP (173.9768)


   

(2,6-Difluoro-4-hydroxyphenyl)boronic acid

(2,6-Difluoro-4-hydroxyphenyl)boronic acid

C6H5BF2O3 (174.03)


   

Tetrahydro-5-oxofuran-2,3-dicarboxylic acid

Pentaric acid,3-carboxy-2,3-dideoxy-, 1,4-lactone

C6H6O6 (174.0164)


   

1,2-dichloroethylbenzene

1,2-dichloroethylbenzene

C8H8Cl2 (174.0003)


   

2-Nitroaniline Hydrochloride

2-Nitroaniline Hydrochloride

C6H7ClN2O2 (174.0196)


   

2-CHLORO-4-FLUOROPHENETOLE

2-CHLORO-4-FLUOROPHENETOLE

C8H8ClFO (174.0248)


   

4-BROMO-2-HYDROXYPYRIMIDINE

4-BROMO-2-HYDROXYPYRIMIDINE

C4H3BrN2O (173.9429)


   

2-(METHYLTHIO)THIOPHENE-3-CARBOXYLIC ACID

2-(METHYLTHIO)THIOPHENE-3-CARBOXYLIC ACID

C6H6O2S2 (173.9809)


   

2-Methyl-5-[(methyldisulfanyl)methyl]furan

2-Methyl-5-[(methyldisulfanyl)methyl]furan

C7H10OS2 (174.0173)


   

4-BROMO-1,5-DIMETHYL-1H-PYRAZOLE

4-BROMO-1,5-DIMETHYL-1H-PYRAZOLE

C5H7BrN2 (173.9793)


   

6-AMINOPYRIDINE-3-SULFONIC ACID

6-AMINOPYRIDINE-3-SULFONIC ACID

C5H6N2O3S (174.0099)


   

4-Chloro-3-fluorobenzoic acid

4-Chloro-3-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

1-(2,3,4-Trifluorophenyl)ethanone

1-(2,3,4-Trifluorophenyl)ethanone

C8H5F3O (174.0292)


   

2,3,5-Trifluoroacetophenone

2,3,5-Trifluoroacetophenone

C8H5F3O (174.0292)


   

3-Chloro-5-fluoro-2-hydroxybenzaldehyde

3-Chloro-5-fluoro-2-hydroxybenzaldehyde

C7H4ClFO2 (173.9884)


   

2,4-Dimercapto-5,6-diaminopyrimidine

2,4-Dimercapto-5,6-diaminopyrimidine

C4H6N4S2 (174.0034)


   

2,3-Difluoro-4-hydroxyphenylboronic acid

2,3-Difluoro-4-hydroxyphenylboronic acid

C6H5BF2O3 (174.03)


   

1H-Imidazole-4-propanoicacid, a-chloro-, (S)- (9CI)

1H-Imidazole-4-propanoicacid, a-chloro-, (S)- (9CI)

C6H7ClN2O2 (174.0196)


   

5-Bromo-1,4-dimethyl-1H-imidazole

5-Bromo-1,4-dimethyl-1H-imidazole

C5H7BrN2 (173.9793)


   

thiadiazole-4,5-dicarboxylic acid

thiadiazole-4,5-dicarboxylic acid

C4H2N2O4S (173.9735)


   

2,4-difluoro-5-hydroxybenzoic acid

2,4-difluoro-5-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

disodium methylenesuccinate

disodium methylenesuccinate

C5H4Na2O4 (173.9905)


   

1-dichlorophosphorylbutane

1-dichlorophosphorylbutane

C4H9Cl2OP (173.9768)


   

5-aminomethyl-thiophene-3-carbonitrile

5-aminomethyl-thiophene-3-carbonitrile

C6H7ClN2S (174.0018)


   

2,4-Difluoro-5-nitroaniline

2,4-Difluoro-5-nitroaniline

C6H4F2N2O2 (174.0241)


   

m-Xylylene dichloride

m-Xylylene dichloride

C8H8Cl2 (174.0003)


   

2-Chlorobenzoyl chloride

2-Chlorobenzoyl chloride

C7H4Cl2O (173.9639)


   

2-BROMO-1,4-DIMETHYL-1H-IMIDAZOLE

2-BROMO-1,4-DIMETHYL-1H-IMIDAZOLE

C5H7BrN2 (173.9793)


   

6-Aminonicotinic acid hydrochloride

6-Aminonicotinic acid hydrochloride

C6H7ClN2O2 (174.0196)


   

4-(Aminomethyl)thiophene-2-carbonitrile hydrochloride

4-(Aminomethyl)thiophene-2-carbonitrile hydrochloride

C6H7ClN2S (174.0018)


   

3-Amino-2-pyridine sulfonic acid

3-Amino-2-pyridine sulfonic acid

C5H6N2O3S (174.0099)


   

2-AMINOPYRIDINE-3-SULFONIC ACID

2-AMINOPYRIDINE-3-SULFONIC ACID

C5H6N2O3S (174.0099)


   

2-(1-benzofuran-2-yl)-2-oxoacetaldehyde

2-(1-benzofuran-2-yl)-2-oxoacetaldehyde

C10H6O3 (174.0317)


   

5-AMINOPYRIDINE-3-SULFONATE

5-AMINOPYRIDINE-3-SULFONATE

C5H6N2O3S (174.0099)


   

5-Aminopyridine-2-sulfonic acid

5-Aminopyridine-2-sulfonic acid

C5H6N2O3S (174.0099)


   

4-Aminopyridine-2-sulfonic acid

4-Aminopyridine-2-sulfonic acid

C5H6N2O3S (174.0099)


   

3-(ethyldithio)-2-methylfuran

3-(ethyldithio)-2-methylfuran

C7H10OS2 (174.0173)


   

4-Chloro-5-Methoxy-2-Methylpyridazin-3(2H)-One

4-Chloro-5-Methoxy-2-Methylpyridazin-3(2H)-One

C6H7ClN2O2 (174.0196)


   

2-bromotoluene-3,4,5,6-d4

2-bromotoluene-3,4,5,6-d4

C7H3BrD4 (173.9982)


   

2-Chloro-6-fluorobenzoic acid

2-Chloro-6-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

3-Chloro-1-(thiophen-2-yl)propan-1-one

3-Chloro-1-(thiophen-2-yl)propan-1-one

C7H7ClOS (173.9906)


   

3,5-Difluoro-2-nitroaniline

3,5-Difluoro-2-nitroaniline

C6H4F2N2O2 (174.0241)


   

2,5-Dichlorobenzaldehdye

2,5-Dichlorobenzaldehdye

C7H4Cl2O (173.9639)


   

6-Bromo-1,2,4-triazin-3-amine

6-Bromo-1,2,4-triazin-3-amine

C3H3BrN4 (173.9541)


   

2,2-Difluoro-1,3-benzodioxol-5-ol

2,2-Difluoro-1,3-benzodioxol-5-ol

C7H4F2O3 (174.0128)


   

5-bromopyrimidine N-oxide

5-bromopyrimidine N-oxide

C4H3BrN2O (173.9429)


   

2-Chloromethyl-1-fluoro-3-Methoxybenzene

2-Chloromethyl-1-fluoro-3-Methoxybenzene

C8H8ClFO (174.0248)


   

1-Cyclopentene-1-carboxylic acid, 2-(chlorocarbonyl)- (9CI)

1-Cyclopentene-1-carboxylic acid, 2-(chlorocarbonyl)- (9CI)

C7H7ClO3 (174.0084)


   

3,5-Difluoro-4-nitroaniline

3,5-Difluoro-4-nitroaniline

C6H4F2N2O2 (174.0241)


   

1H-Imidazole-4-carboxylic acid,5-(chloromethyl)-2-methyl-

1H-Imidazole-4-carboxylic acid,5-(chloromethyl)-2-methyl-

C6H7ClN2O2 (174.0196)


   

3-HYDROXYPHENYLPHOSPHONIC ACID

3-HYDROXYPHENYLPHOSPHONIC ACID

C6H7O4P (174.0082)


   

4-HYDROXYPHENYL PHOSPHONIC ACID

4-HYDROXYPHENYL PHOSPHONIC ACID

C6H7O4P (174.0082)


   

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate

C5H6N2O5 (174.0277)


2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate is an endogenous metabolite. Orotic acid hydrate is an endogenous metabolite.

   

2-Chloro-4-nitropyridine 1-oxide

2-Chloro-4-nitropyridine 1-oxide

C5H3ClN2O3 (173.9832)


   

5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBONITRILE

5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBONITRILE

C4H2N2S3 (173.938)


   

3-Chloro-4-fluorophenethylalcohol

3-Chloro-4-fluorophenethylalcohol

C8H8ClFO (174.0248)


   

5-AMINOPICOLINIC ACID HYDROCHLORIDE

5-AMINOPICOLINIC ACID HYDROCHLORIDE

C6H7ClN2O2 (174.0196)


   

5-(Aminomethyl)thiophene-2-carbonitrile hydrochloride

5-(Aminomethyl)thiophene-2-carbonitrile hydrochloride

C6H7ClN2S (174.0018)


   

2-Chloro-4-fluorophenylboronic acid

2-Chloro-4-fluorophenylboronic acid

C6H5BClFO2 (174.0055)


   

2,4-Dichlorobenzaldehyde

2,4-Dichlorobenzaldehyde

C7H4Cl2O (173.9639)


   

3,4-Dichlorobenzaldehyde

3,4-Dichlorobenzaldehyde

C7H4Cl2O (173.9639)


   

EXO-2-BROMONORBORNANE

EXO-2-BROMONORBORNANE

C7H11Br (174.0044)


   

Acetylthiosuccinic anhydride

Acetylthiosuccinic anhydride

C6H6O4S (173.9987)


   

Fluoromethyl phenyl sulfone

Fluoromethyl phenyl sulfone

C7H7FO2S (174.0151)


   

6-Chloro-2-nitro-3-pyridinol

6-Chloro-2-nitro-3-pyridinol

C5H3ClN2O3 (173.9832)


   

3-chloro-5-nitropyridin-4-ol

3-chloro-5-nitropyridin-4-ol

C5H3ClN2O3 (173.9832)


   

(5-Chloro-2-fluorophenyl)boronic acid

(5-Chloro-2-fluorophenyl)boronic acid

C6H5BClFO2 (174.0055)


   

1-(2,4,6-Trifluorophenyl)ethanone

1-(2,4,6-Trifluorophenyl)ethanone

C8H5F3O (174.0292)


   

2,4-Difluoro-6-nitroaniline

2,4-Difluoro-6-nitroaniline

C6H4F2N2O2 (174.0241)


   

2,6-Difluoro-4-nitroaniline

2,6-Difluoro-4-nitroaniline

C6H4F2N2O2 (174.0241)


   

2-BROMOCYCLOHEX-2-ENONE

2-BROMOCYCLOHEX-2-ENONE

C6H7BrO (173.968)


   

(3R,4S)-tetrahydrofuran-3,4-diamine dihydrochloride

(3R,4S)-tetrahydrofuran-3,4-diamine dihydrochloride

C4H12Cl2N2O (174.0327)


   

1-(Dichloromethyl)-4-methylbenzene

1-(Dichloromethyl)-4-methylbenzene

C8H8Cl2 (174.0003)


   

2,6-Difluoro-3-nitroaniline

2,6-Difluoro-3-nitroaniline

C6H4F2N2O2 (174.0241)


   

2-Chloro-4-nitro-3-pyridinol

2-Chloro-4-nitro-3-pyridinol

C5H3ClN2O3 (173.9832)


   

5-Bromo-2-hydroxypyrimidine

5-Bromo-2-hydroxypyrimidine

C4H3BrN2O (173.9429)


   

3,4-Difluorosalicylic acid

3,4-Difluorosalicylic acid

C7H4F2O3 (174.0128)


   

4,5-Difluoro-2-nitroaniline

4,5-Difluoro-2-nitroaniline

C6H4F2N2O2 (174.0241)


   

2-Chloro-4-fluorobenzoic acid

2-Chloro-4-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

P-TOLUENESULFINYL CHLORIDE

P-TOLUENESULFINYL CHLORIDE

C7H7ClOS (173.9906)


   

Methylparaben Sodium Salt

Methylparaben Sodium Salt

C8H7NaO3 (174.0293)


   

4-Chloro-3-Nitro-2-Pyridone

4-Chloro-3-Nitro-2-Pyridone

C5H3ClN2O3 (173.9832)


   

sodium anisate

sodium anisate

C8H7NaO3 (174.0293)


   

3-Chloro-5-fluorophenylboronic acid

3-Chloro-5-fluorophenylboronic acid

C6H5BClFO2 (174.0055)


   

4-CHLORO-2,5-DIMETHYL-2H-PYRAZOLE-3- CARBOXYLIC ACID

4-CHLORO-2,5-DIMETHYL-2H-PYRAZOLE-3- CARBOXYLIC ACID

C6H7ClN2O2 (174.0196)


   

CHLOROMETHYL PHENYL SULFOXIDE

CHLOROMETHYL PHENYL SULFOXIDE

C7H7ClOS (173.9906)


   

Methyl 5-chloromethyl-2-furoate

Methyl 5-chloromethyl-2-furoate

C7H7ClO3 (174.0084)


   

1-chloro-2-ethoxy-4-fluorobenzene

1-chloro-2-ethoxy-4-fluorobenzene

C8H8ClFO (174.0248)


   

3-Chloro-4-isopropoxycyclobut-3-ene-1,2-dione

3-Chloro-4-isopropoxycyclobut-3-ene-1,2-dione

C7H7ClO3 (174.0084)


   

1,2,3-cyclopropanetri-carboxylic acid

1,2,3-cyclopropanetri-carboxylic acid

C6H6O6 (174.0164)


   

2,4-Difluoro-3-hydroxybenzoic acid

2,4-Difluoro-3-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

4-Methyl-3-nitropyridine hydrochloride

4-Methyl-3-nitropyridine hydrochloride

C6H7ClN2O2 (174.0196)


   

2-Amino-N-methylethanesulfonamide hydrochloride

2-Amino-N-methylethanesulfonamide hydrochloride

C3H11ClN2O2S (174.023)


   

3,4-DIFLUORO-2-NITROBENZENAMINE

3,4-DIFLUORO-2-NITROBENZENAMINE

C6H4F2N2O2 (174.0241)


   

1-(5-chlorothiophen-2-yl)propan-1-one

1-(5-chlorothiophen-2-yl)propan-1-one

C7H7ClOS (173.9906)


   

2-chloro-4-fluoro-3-hydroxybenzaldehyde

2-chloro-4-fluoro-3-hydroxybenzaldehyde

C7H4ClFO2 (173.9884)


   

calcium fluorophosphate

calcium fluorophosphate

CaFH4O5P (173.9406)


   

2,3-difluoro-5-hydroxybenzoic acid

2,3-difluoro-5-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

3,6-difluoro-2-hydroxybenzoic acid

3,6-difluoro-2-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

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

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

C8H8ClFO (174.0248)


   

3,5-difluoro-2-hydroxybenzoic acid

3,5-difluoro-2-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

2,6-Dichlorobenzaldehyde

2,6-Dichlorobenzaldehyde

C7H4Cl2O (173.9639)


   

6-Bromo-4-pyrimidinol

6-Bromo-4-pyrimidinol

C4H3BrN2O (173.9429)


   

(3-Chloro-2-fluorophenyl)boronic acid

(3-Chloro-2-fluorophenyl)boronic acid

C6H5BClFO2 (174.0055)


   

2,3-Difluoro-4-hydroxybenzoic acid

2,3-Difluoro-4-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

3-CHLORO-4,5-DIMETHOXY-PYRIDAZINE

3-CHLORO-4,5-DIMETHOXY-PYRIDAZINE

C6H7ClN2O2 (174.0196)


   

N-(2-aminoethyl)methanesulfonamide

N-(2-aminoethyl)methanesulfonamide

C3H11ClN2O2S (174.023)


   

4-Aminopicolinic acid hydrochloride

4-Aminopicolinic acid hydrochloride

C6H7ClN2O2 (174.0196)


   

(R)-2-CHLORO-1-(4-FLUOROPHENYL)ETHANOL

(R)-2-CHLORO-1-(4-FLUOROPHENYL)ETHANOL

C8H8ClFO (174.0248)


   

2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

C6H7ClN2S (174.0018)


   

2,6-Difluoro-3-hydroxybenzoic acid

2,6-Difluoro-3-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

5,6-DIHYDRO-4H-CYCLOPENTA-1,2-DITHIOLE-3-THIONE

5,6-DIHYDRO-4H-CYCLOPENTA-1,2-DITHIOLE-3-THIONE

C6H6S3 (173.9632)


   

4-BROMOPYRIDAZIN-1-OXIDE

4-BROMOPYRIDAZIN-1-OXIDE

C4H3BrN2O (173.9429)


   

5-bromo-1H-imidazole-4-carbaldehyde

5-bromo-1H-imidazole-4-carbaldehyde

C4H3BrN2O (173.9429)


   

magnesium,sulfate,trihydrate

magnesium,sulfate,trihydrate

H6MgO7S (173.9685)


   

4-Fluoro-1-butanesulfonyl chloride

4-Fluoro-1-butanesulfonyl chloride

C4H8ClFO2S (173.9918)


   

1H-Cyclopenta[5,6]thiopyrano[2,3-d]imidazole (9CI)

1H-Cyclopenta[5,6]thiopyrano[2,3-d]imidazole (9CI)

C9H6N2S (174.0252)


   

Aluminum chlorohydrate

Aluminum chlorohydrate

Al2ClH5O5 (173.9456)


   

2-Chloro-3-fluorophenylboronic acid

2-Chloro-3-fluorophenylboronic acid

C6H5BClFO2 (174.0055)


   

1-Bromo-2-fluorobenzene

1-Bromo-2-fluorobenzene

C6H4BrF (173.948)


   

p-toluenesulfonyl fluoride

p-toluenesulfonyl fluoride

C7H7FO2S (174.0151)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

Benzothiazol-2-ylacetonitrile

Benzothiazol-2-ylacetonitrile

C9H6N2S (174.0252)


   

tert-Butyl chromate solution in carbon tetrachloride

tert-Butyl chromate solution in carbon tetrachloride

C4H10CrO4 (173.9984)


   

2-(1h-pyrrol-1-yl)thiophene-3-carbonitrile

2-(1h-pyrrol-1-yl)thiophene-3-carbonitrile

C9H6N2S (174.0252)


   

3,5-Difluoro-4-hydroxybenzoic acid

3,5-Difluoro-4-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

1-Chloro-4-(chloromethyl)-2-methylbenzene

1-Chloro-4-(chloromethyl)-2-methylbenzene

C8H8Cl2 (174.0003)


   

2,2,4-Trichlorobutanal

2,2,4-Trichlorobutanal

C4H5Cl3O (173.9406)


   

6-Chloro-3-hydroxypyridazine-4-carboxylic acid

6-Chloro-3-hydroxypyridazine-4-carboxylic acid

C5H3ClN2O3 (173.9832)


   

Benzene,2-(chloromethyl)-4-fluoro-1-methoxy-

Benzene,2-(chloromethyl)-4-fluoro-1-methoxy-

C8H8ClFO (174.0248)


   

Butanal,2,2,3-trichloro-

Butanal,2,2,3-trichloro-

C4H5Cl3O (173.9406)


   

5-CHLORO-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID

5-CHLORO-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID

C5H3ClN2O3 (173.9832)


   

Tetracyclo[3.3.0.02,8.03,6]octane, 4,4-dichloro- (9CI)

Tetracyclo[3.3.0.02,8.03,6]octane, 4,4-dichloro- (9CI)

C8H8Cl2 (174.0003)


   

5,6-DIFLUORO-2-HYDROXYBENZOIC ACID

5,6-DIFLUORO-2-HYDROXYBENZOIC ACID

C7H4F2O3 (174.0128)


   

2-Chloro-5-fluorobenzoic acid

2-Chloro-5-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

5-Fluoro-6-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone

5-Fluoro-6-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone

C6H7FN2OS (174.0263)


   

2-Chloro-3-nitropyridin-4-ol

2-Chloro-3-nitropyridin-4-ol

C5H3ClN2O3 (173.9832)


   

2,3-Dichlorobenzaldehyde

2,3-Dichlorobenzaldehyde

C7H4Cl2O (173.9639)


   

5-Chloro-2-fluorobenzoic acid

5-Chloro-2-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

Pentyl magnesium bromide

Pentyl magnesium bromide

C5H11BrMg (173.9895)


   

3-BROMOCYCLOHEX-2-ENONE

3-BROMOCYCLOHEX-2-ENONE

C6H7BrO (173.968)


   

sodium mandelate

sodium mandelate

C8H7NaO3 (174.0293)


   

3-Chloro-4-methylbenzyl chloride

3-Chloro-4-methylbenzyl chloride

C8H8Cl2 (174.0003)


   

Zinc Fluoride Tetrahydrate

Zinc Fluoride Tetrahydrate

F2H8O4Zn (173.9682)


   

CYCLOHEXANE

CYCLOHEXANE

C6H6O6 (174.0164)


   

2,3,6-Trifluoroacetophenone

2,3,6-Trifluoroacetophenone

C8H5F3O (174.0292)


   

2-Butanone,1,4-diamino-, hydrochloride (1:2)

2-Butanone,1,4-diamino-, hydrochloride (1:2)

C4H12Cl2N2O (174.0327)


   

2-(2-Chloro-4-fluorophenyl)ethanol

2-(2-Chloro-4-fluorophenyl)ethanol

C8H8ClFO (174.0248)


   

2-Chloro-4-hydrazino-5-methoxy-pyrimidine

2-Chloro-4-hydrazino-5-methoxy-pyrimidine

C5H7ClN4O (174.0308)


   

1,3,5-Benzenetrithiol

1,3,5-Benzenetrithiol

C6H6S3 (173.9632)


   

2,6-Difluoro-4-hydroxybenzoic acid

2,6-Difluoro-4-hydroxybenzoic acid

C7H4F2O3 (174.0128)


   

Allyl 2-chloro-1,1,2-trifluoroethyl ether

Allyl 2-chloro-1,1,2-trifluoroethyl ether

C5H6ClF3O (174.0059)


   

2-Pyridinesulfonicacid, 6-amino-

2-Pyridinesulfonicacid, 6-amino-

C5H6N2O3S (174.0099)


   

3-Pyridinesulfonicacid, 4-amino-

3-Pyridinesulfonicacid, 4-amino-

C5H6N2O3S (174.0099)


   

zinc,2-chlorobenzenediazonium,trichloride

zinc,2-chlorobenzenediazonium,trichloride

C6H4Cl2N2 (173.9752)


   

2,3,3-TRICHLOROTETRAHYDROFURAN

2,3,3-TRICHLOROTETRAHYDROFURAN

C4H5Cl3O (173.9406)


   

di-chloro-p-xylene

di-chloro-p-xylene

C8H8Cl2 (174.0003)


   

2,3-Dihydrothieno[3,4-b][1,4]dithiine

2,3-Dihydrothieno[3,4-b][1,4]dithiine

C6H6S3 (173.9632)


   

4-(chloromethyl)-1-fluoro-2-methoxybenzene

4-(chloromethyl)-1-fluoro-2-methoxybenzene

C8H8ClFO (174.0248)


   

PHENYL TRIFLUOROVINYL ETHER

PHENYL TRIFLUOROVINYL ETHER

C8H5F3O (174.0292)


   

1-CHLORO-4-TRIMETHYLSILANYL-BUT-3-YN-2-ONE

1-CHLORO-4-TRIMETHYLSILANYL-BUT-3-YN-2-ONE

C7H11ClOSi (174.0268)


   

2-(Bromomethyl)-5-methylfur

2-(Bromomethyl)-5-methylfur

C6H7BrO (173.968)


   

3-bromopyrazin-2-ol

3-bromopyrazin-2-ol

C4H3BrN2O (173.9429)


   

Benzene,1-chloro-4-(methylsulfinyl)-

Benzene,1-chloro-4-(methylsulfinyl)-

C7H7ClOS (173.9906)


   

2-Methyl-3-nitropyridine hydrochloride

2-Methyl-3-nitropyridine hydrochloride

C6H7ClN2O2 (174.0196)


   

Mesyl anhydride

Mesyl anhydride

C2H6O5S2 (173.9657)


   

5-Chloro-3-fluorosalicylaldehyde

5-Chloro-3-fluorosalicylaldehyde

C7H4ClFO2 (173.9884)


   

4-Oxo-4H-chromene-3-carbaldehyde

4-Oxo-4H-chromene-3-carbaldehyde

C10H6O3 (174.0317)


   

5-butyl-3H-1,3,4-thiadiazole-2-thione

5-butyl-3H-1,3,4-thiadiazole-2-thione

C6H10N2S2 (174.0285)


   

2-Chloro-4-nitro-5-pyrimidinamine

2-Chloro-4-nitro-5-pyrimidinamine

C4H3ClN4O2 (173.9945)


   

1,4-Bis(chloromethyl)benzene

1,4-Bis(chloromethyl)benzene

C8H8Cl2 (174.0003)


   

(2-AMINO-3-PYRIDINYL)-[1,1-BIPHENYL]-4-YL-METHANONE

(2-AMINO-3-PYRIDINYL)-[1,1-BIPHENYL]-4-YL-METHANONE

C5H6N2O3S (174.0099)


   

fast orange gc salt

fast orange gc salt

C6H4Cl2N2 (173.9752)


   

5-bromo-1,2-dimethyl-1H-imidazole

5-bromo-1,2-dimethyl-1H-imidazole

C5H7BrN2 (173.9793)


   

1-Chloro-4-(2-chloroethyl)benzene

1-Chloro-4-(2-chloroethyl)benzene

C8H8Cl2 (174.0003)


   

Ytterbium

Ytterbium

Yb (173.9389)


Ytterbium, also known as 70yb or yterbio, is a member of the class of compounds known as homogeneous lanthanide compounds. Homogeneous lanthanide compounds are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Ytterbium can be found in a number of food items such as corn, almond, white cabbage, and pistachio, which makes ytterbium a potential biomarker for the consumption of these food products. In 1878, the Swiss chemist Jean Charles Galissard de Marignac separated from the rare earth "erbia" another independent component, which he called "ytterbia", for Ytterby, the village in Sweden near where he found the new component of erbium. He suspected that ytterbia was a compound of a new element that he called "ytterbium" (in total, four elements were named after the village, the others being yttrium, terbium and erbium). In 1907, the new earth "lutecia" was separated from ytterbia, from which the element "lutecium" (now lutetium) was extracted by Georges Urbain, Carl Auer von Welsbach, and Charles James. After some discussion, Marignacs name "ytterbium" was retained. A relatively pure sample of the metal was not obtained until 1953. At present, ytterbium is mainly used as a dopant of stainless steel or active laser media, and less often as a gamma ray source .

   

2,5-DICHLORO-P-XYLENE

2,5-DICHLORO-P-XYLENE

C8H8Cl2 (174.0003)


   

o-Xylylene dichloride

o-Xylylene dichloride

C8H8Cl2 (174.0003)


   

4-Chloro-3-fluorobenzeneboronic acid

4-Chloro-3-fluorobenzeneboronic acid

C6H5BClFO2 (174.0055)


   

DL-Aspartic acid hemimagnesium salt

DL-Aspartic acid hemimagnesium salt

C4H8MgNO5+ (174.0253)


   

2,5-dimethylthiophene-3-carbonyl chloride

2,5-dimethylthiophene-3-carbonyl chloride

C7H7ClOS (173.9906)


   

2-chloro-N-(5-methylisoxazol-3-yl)acetamide

2-CHLORO-N-(5-METHYL-ISOXAZOL-3-YL)-ACETAMIDE

C6H7ClN2O2 (174.0196)


   

4-Chloro-2-fluorobenzoic acid

4-Chloro-2-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

6-DYDROXYNAPHTHALENE-1,2-DIONE

6-DYDROXYNAPHTHALENE-1,2-DIONE

C10H6O3 (174.0317)


   

3,5-Difluoro-4-hydroxyphenylboronic acid

3,5-Difluoro-4-hydroxyphenylboronic acid

C6H5BF2O3 (174.03)


   

3-bromo-1,4-dimethyl-1H-pyrazole

3-bromo-1,4-dimethyl-1H-pyrazole

C5H7BrN2 (173.9793)


   

Sodium 1-pentanesulfonate

Sodium 1-pentanesulfonate

C5H11NaO3S (174.0327)


   

2,4-Dichloro-5-fluoro-3-pyidinecarboxylic acid

2,4-Dichloro-5-fluoro-3-pyidinecarboxylic acid

C5HClFNCO2H (173.9758)


   

3-Chloro-2-fluorobenzoic acid

3-Chloro-2-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

3-(1,1-difluoroethyl)- Benzenethiol

3-(1,1-difluoroethyl)- Benzenethiol

C8H8F2S (174.0315)


   

4-Chloro-2-fluorophenylboronic acid

4-Chloro-2-fluorophenylboronic acid

C6H5BClFO2 (174.0055)


   

Bicyclo[3.1.0]hexane, 3-(bromomethyl)-, cis- (8CI)

Bicyclo[3.1.0]hexane, 3-(bromomethyl)-, cis- (8CI)

C7H11Br (174.0044)


   

4-(1,1-difluoroethyl)- Benzenethiol

4-(1,1-difluoroethyl)- Benzenethiol

C8H8F2S (174.0315)


   

Methanesulfonic anhydride

Methanesulfonic anhydride

C2H6O5S2 (173.9657)


   

Difluoroacetic anhydride

Difluoroacetic anhydride

C4H2F4O3 (173.994)


   

AKOS B019512

AKOS B019512

C5H7BrN2 (173.9793)


   

2-CHLORO-5-FLUORONICOTINAMIDE

2-CHLORO-5-FLUORONICOTINAMIDE

C6H4ClFN2O (173.9996)


   

1-FLUORO-2-(METHYLSULFONYL)BENZENE

1-FLUORO-2-(METHYLSULFONYL)BENZENE

C7H7FO2S (174.0151)


   

2-AMINOBENZO[B]THIOPHENE-3-CARBONITRILE

2-AMINOBENZO[B]THIOPHENE-3-CARBONITRILE

C9H6N2S (174.0252)


   

ketipic acid

ketipic acid

C6H6O6 (174.0164)


   

1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol

1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol

C6H10N2S2 (174.0285)


   

2-METHYLBENZO[D]THIAZOLE-6-CARBONITRILE

2-METHYLBENZO[D]THIAZOLE-6-CARBONITRILE

C9H6N2S (174.0252)


   

Thiazolo[3,2-a]benzimidazole (8CI,9CI)

Thiazolo[3,2-a]benzimidazole (8CI,9CI)

C9H6N2S (174.0252)


   

4-Chlorobenzoyl chloride

4-Chlorobenzoyl chloride

C7H4Cl2O (173.9639)


   

2-CHLORO-4,6-DIMETHOXYPYRIMIDINE

2-CHLORO-4,6-DIMETHOXYPYRIMIDINE

C6H7ClN2O2 (174.0196)


   

2-IMINO-4-OXO-[1,3]THIAZINANE-6-CARBOXYLIC ACID

2-IMINO-4-OXO-[1,3]THIAZINANE-6-CARBOXYLIC ACID

C5H6N2O3S (174.0099)


   

3-Chloro-4-fluorobenzoic acid

3-Chloro-4-fluorobenzoic acid

C7H4ClFO2 (173.9884)


   

2-Bromo-1,5-dimethyl-1H-imidazole

2-Bromo-1,5-dimethyl-1H-imidazole

C5H7BrN2 (173.9793)


   

2-(BROMOMETHYL)-1-METHYL-1H-IMIDAZOLE,97

2-(BROMOMETHYL)-1-METHYL-1H-IMIDAZOLE,97

C5H7BrN2 (173.9793)


   

bromomethylidenecyclohexane

bromomethylidenecyclohexane

C7H11Br (174.0044)


   

2-Bromo-3-methylcyclopent-2-en-1-one

2-Bromo-3-methylcyclopent-2-en-1-one

C6H7BrO (173.968)


   

3-Chloro-4-nitropyridine 1-oxide

3-Chloro-4-nitropyridine 1-oxide

C5H3ClN2O3 (173.9832)


   

4-chloro-2-ethoxy-1-fluorobenzene

4-chloro-2-ethoxy-1-fluorobenzene

C8H8ClFO (174.0248)


   

4-chloro-2-ethylpyrazole-3-carboxylic acid

4-chloro-2-ethylpyrazole-3-carboxylic acid

C6H7ClN2O2 (174.0196)


   

3-(4-chloropyrazol-1-yl)propanoic acid

3-(4-chloropyrazol-1-yl)propanoic acid

C6H7ClN2O2 (174.0196)


   

1-Chloro-2-(1-chloroethyl)benzene

1-Chloro-2-(1-chloroethyl)benzene

C8H8Cl2 (174.0003)


   

2-Chloro-5-nitro-pyridin-4-ol

2-Chloro-5-nitro-pyridin-4-ol

C5H3ClN2O3 (173.9832)


   

5-NITROISOTHIAZOLE-3-CARBOXYLIC ACID

5-NITROISOTHIAZOLE-3-CARBOXYLIC ACID

C4H2N2O4S (173.9735)


   

4-(Bromomethyl)-1-methyl-1H-imidazole

4-(Bromomethyl)-1-methyl-1H-imidazole

C5H7BrN2 (173.9793)


   

1H-pyrazole-4,5-dicarboxylic acid hydrate

1H-pyrazole-4,5-dicarboxylic acid hydrate

C5H6N2O5 (174.0277)


   

3,4,5-Trifluoroacetophenone

3,4,5-Trifluoroacetophenone

C8H5F3O (174.0292)


   

polyaluminum chloride

polyaluminum chloride

Al2ClH5O5 (173.9456)


   

3-(Trifluoromethyl)benzaldehyde

3-(Trifluoromethyl)benzaldehyde

C8H5F3O (174.0292)


   

2-(Trifluoromethyl)benzaldehyde

2-(Trifluoromethyl)benzaldehyde

C8H5F3O (174.0292)


   

uracil-5-carboxylic acid monohydrate

uracil-5-carboxylic acid monohydrate

C5H6N2O5 (174.0277)


   

methylphenylphosphinic chloride

methylphenylphosphinic chloride

C7H8ClOP (174.0001)


   

(2-Chloro-5-fluorophenyl)boronic acid

(2-Chloro-5-fluorophenyl)boronic acid

C6H5BClFO2 (174.0055)


   

6-bromo-3-pyridazinol

6-bromo-3-pyridazinol

C4H3BrN2O (173.9429)


   

Potassium O-propyl carbonodithioate

Potassium O-propyl carbonodithioate

C4H7KOS2 (173.9575)


   

2-ETHYL-4-BROMOIMIDAZOLE

2-ETHYL-4-BROMOIMIDAZOLE

C5H7BrN2 (173.9793)


   

2-Chloro-4-methyl-6-methylsulfanylpyrimidine

2-Chloro-4-methyl-6-methylsulfanylpyrimidine

C6H7ClN2S (174.0018)


   

6-Formaldehydecoumarin

6-Formaldehydecoumarin

C10H6O3 (174.0317)


   

Phenylmaleic Anhydride

Phenylmaleic Anhydride

C10H6O3 (174.0317)


   

2,4,5-Trifluoroacetophenone

2,4,5-Trifluoroacetophenone

C8H5F3O (174.0292)


   

5-(1,2-dihydroxyethyl)oxolane-2,3,4-trione

5-(1,2-dihydroxyethyl)oxolane-2,3,4-trione

C6H6O6 (174.0164)


   

6-CHLORO-2-FLUORO-3-METHYLANISOLE

6-CHLORO-2-FLUORO-3-METHYLANISOLE

C8H8ClFO (174.0248)


   

2-CHLORO-6-FLUORO-3-METHYLANISOLE

2-CHLORO-6-FLUORO-3-METHYLANISOLE

C8H8ClFO (174.0248)


   

2,3-DIFLUORO-6-NITROANILINE

2,3-DIFLUORO-6-NITROANILINE

C6H4F2N2O2 (174.0241)


   

(4-CHLORO-3-METHYL-PYRAZOL-1-YL)-ACETIC ACID

(4-CHLORO-3-METHYL-PYRAZOL-1-YL)-ACETIC ACID

C6H7ClN2O2 (174.0196)


   

2-(4-chloropyrazol-1-yl)propanoic acid

2-(4-chloropyrazol-1-yl)propanoic acid

C6H7ClN2O2 (174.0196)


   

6-CHLORO-5-NITROPYRIDIN-2(1H)-ONE

6-CHLORO-5-NITROPYRIDIN-2(1H)-ONE

C5H3ClN2O3 (173.9832)


   

2-chloro-6-fluoro-3-methylbenzyl alcohol

2-chloro-6-fluoro-3-methylbenzyl alcohol

C8H8ClFO (174.0248)


   

Methyl 3-chloro-1-Methyl-1H-pyrazole-5-carboxylate

Methyl 3-chloro-1-Methyl-1H-pyrazole-5-carboxylate

C6H7ClN2O2 (174.0196)


   

4-Hydroxy-4-methyl-2-oxoglutarate

4-Hydroxy-4-methyl-2-oxoglutarate

C6H6O6-2 (174.0164)


   

Ytterbium (III) ion

Ytterbium (III) ion

Yb+3 (173.9389)


   

Trihydroxy(trihydroxysilyloxy)silane

Trihydroxy(trihydroxysilyloxy)silane

H6O7Si2 (173.9652)


   

(5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione

(5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione

C6H6O6 (174.0164)


   

1-Chloro-2-(2-chloroethyl)benzene

1-Chloro-2-(2-chloroethyl)benzene

C8H8Cl2 (174.0003)


   

2-Bis(methylthio)methylfuran

2-Bis(methylthio)methylfuran

C7H10OS2 (174.0173)


   

4-phenolsulfonic acid

4-Hydroxybenzenesulfonic acid

C6H6O4S (173.9987)


   

Nucin

InChI=1\C10H6O3\c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12\h1-5,12

C10H6O3 (174.0317)


D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

cis-Aconitate

(Z)-Aconitic Acid

C6H6O6 (174.0164)


Cis-aconitic acid, also known as (Z)-1-propene-1,2,3-tricarboxylic acid or cis-aconitate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Cis-aconitic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cis-aconitic acid is a very mild, musty, and nutty tasting compound and can be found in a number of food items such as red beetroot, barley, corn, and oat, which makes cis-aconitic acid a potential biomarker for the consumption of these food products. Cis-aconitic acid can be found primarily in most biofluids, including urine, saliva, sweat, and breast milk, as well as in human prostate tissue. Cis-aconitic acid exists in all living species, ranging from bacteria to humans. In humans, cis-aconitic acid is involved in several metabolic pathways, some of which include the oncogenic action of succinate, congenital lactic acidosis, the oncogenic action of fumarate, and the oncogenic action of 2-hydroxyglutarate. Cis-aconitic acid is also involved in several metabolic disorders, some of which include pyruvate dehydrogenase deficiency (E3), glutaminolysis and cancer, mitochondrial complex II deficiency, and the oncogenic action of d-2-hydroxyglutarate in hydroxygluaricaciduria. Moreover, cis-aconitic acid is found to be associated with schizophrenia and lung Cancer. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.

   

L-Ureidosuccinate

L-Ureidosuccinate

C5H6N2O5-2 (174.0277)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Chloro-cis,cis-muconate

2-Chloro-cis,cis-muconate

C6H3ClO4-2 (173.972)


   

2-Hydroxy-3-oxoadipate

2-Hydroxy-3-oxoadipate

C6H6O6-2 (174.0164)


   

3-Chloro-cis,cis-muconate

3-Chloro-cis,cis-muconate

C6H3ClO4-2 (173.972)


   

5-Chlorocarbonyl-4-hydroxy-penta-2,4-dienate

5-Chlorocarbonyl-4-hydroxy-penta-2,4-dienate

C6H3ClO4-2 (173.972)


   

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate

C6H5ClNO3- (173.9958)


   

(5E)-3-imino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one

(5E)-3-imino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one

C5H6N2OS2 (173.9922)


   

Hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate

Hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate

CH4O6P2-2 (173.9483)


   

Dithioholothin

Dithioholothin

C5H6N2OS2 (173.9922)


   
   

(R)-4-hydroxy-4-methyl-2-oxoglutarate

(R)-4-hydroxy-4-methyl-2-oxoglutarate

C6H6O6-2 (174.0164)


   

(2E,4E)-2-amino-5-chloro-6-oxohexa-2,4-dienoate

(2E,4E)-2-amino-5-chloro-6-oxohexa-2,4-dienoate

C6H5ClNO3- (173.9958)


   

(2E)-2-chloro-2-(5-oxofuran-2-ylidene)acetic acid

(2E)-2-chloro-2-(5-oxofuran-2-ylidene)acetic acid

C6H3ClO4 (173.972)


   

2-Ureidosuccinic acid dianion

2-Ureidosuccinic acid dianion

C5H6N2O5-2 (174.0277)


   

Monodehydroascorbate anion

Monodehydroascorbate anion

C6H6O6- (174.0164)


   

4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

C7H7FO4 (174.0328)


   

5-[(1S)-1,2-dihydroxyethyl]-4-hydroxyfuran-2,3-dione

5-[(1S)-1,2-dihydroxyethyl]-4-hydroxyfuran-2,3-dione

C6H6O6 (174.0164)


   

Phenylmethylsulfonyl fluoride

Phenylmethylsulfonyl fluoride

C7H7FO2S (174.0151)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

Phenyl phosphate

Phenyl dihydrogen phosphate

C6H7O4P (174.0082)


An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.

   

Phenylsulfate

Phenyl hydrogen sulfate

C6H6O4S (173.9987)


An aryl sulfate that is phenol bearing an O-sulfo substituent.

   

cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

C6H3ClO4 (173.972)


   

trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

C6H3ClO4 (173.972)


   

N-carbamoyl-L-aspartate(2-)

N-carbamoyl-L-aspartate(2-)

C5H6N2O5 (174.0277)


An N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy groups of N-carbamoyl-L-aspartic acid.

   

4-(Trifluoromethyl)benzaldehyde

4-(Trifluoromethyl)benzaldehyde

C8H5F3O (174.0292)


   

2,5-dimethyl-3-(methyldithio)furan

2,5-dimethyl-3-(methyldithio)furan

C7H10OS2 (174.0173)


   

O-Phenolsulfonic acid

Benzenesulfonic acid,2-hydroxy-

C6H6O4S (173.9987)


   

1-Oxo-1H-2-benzopyran-3-carboxaldehyde

1-Oxo-1H-2-benzopyran-3-carboxaldehyde

C10H6O3 (174.0317)


   

Naphthalene-1,2,4-trione

Naphthalene-1,2,4-trione

C10H6O3 (174.0317)


   

Pyridin-3-yl sulfate

Pyridin-3-yl sulfate

C5H4NO4S- (173.9861)


   

monodehydro-L-ascorbate(1-)

monodehydro-L-ascorbate(1-)

C6H6O6 (174.0164)


The conjugate base of monodehydro-L-ascorbic acid arising from deprotonation of the 4-hydroxy group; major species at pH 7.3.

   

3-hydroxybenzenesulfonic acid

3-hydroxybenzenesulfonic acid

C6H6O4S (173.9987)


An arenesulfonic acid that is phenol substituted by a sulfo group at C-3.

   

L-Dehydroascorbic acid

L-Dehydroascorbic acid

C6H6O6 (174.0164)


Dehydroascorbic acid having the L-configuration.

   

2-hydroxybenzenesulfonic acid

2-hydroxybenzenesulfonic acid

C6H6O4S (173.9987)


An arenesulfonic acid that is phenol substituted by a sulfo group at C-2.

   

Hydroxybenzenesulfonic acid

Hydroxybenzenesulfonic acid

C6H6O4S (173.9987)


   

Isocitric acid lactone

Isocitric acid lactone

C6H6O6 (174.0164)


   

2h-[1,2]thiazolo[5,4-b]indole

2h-[1,2]thiazolo[5,4-b]indole

C9H6N2S (174.0252)


   

2-chloro-6-(hydroxymethyl)benzene-1,4-diol

2-chloro-6-(hydroxymethyl)benzene-1,4-diol

C7H7ClO3 (174.0084)


   

(2e)-10-hydroxydec-2-en-4,6,8-triynoic acid

(2e)-10-hydroxydec-2-en-4,6,8-triynoic acid

C10H6O3 (174.0317)


   

10-hydroxydec-2-en-4,6,8-triynoic acid

10-hydroxydec-2-en-4,6,8-triynoic acid

C10H6O3 (174.0317)


   

10-hydroxydec-8-en-2,4,6-triynoic acid

10-hydroxydec-8-en-2,4,6-triynoic acid

C10H6O3 (174.0317)


   

2-[chloro(hydroxy)methyl]benzene-1,4-diol

2-[chloro(hydroxy)methyl]benzene-1,4-diol

C7H7ClO3 (174.0084)


   

(8e)-10-hydroxydec-8-en-2,4,6-triynoic acid

(8e)-10-hydroxydec-8-en-2,4,6-triynoic acid

C10H6O3 (174.0317)