Exact Mass: 162.0225

Exact Mass Matches: 162.0225

Found 500 metabolites which its exact mass value is equals to given mass value 162.0225, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Umbelliferone

7-Hydroxy-2H-1-benzopyran-2-one

C9H6O3 (162.0317)


Umbelliferone is a hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. It has a role as a fluorescent probe, a plant metabolite and a food component. Umbelliferone is a natural product found in Ficus septica, Artemisia ordosica, and other organisms with data available. See also: Chamomile (part of). Occurs widely in plants including Angelica subspecies Phytoalexin of infected sweet potato. Umbelliferone is found in many foods, some of which are macadamia nut, silver linden, quince, and capers. Umbelliferone is found in anise. Umbelliferone occurs widely in plants including Angelica species Phytoalexin of infected sweet potat A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. [Raw Data] CB220_Umbelliferone_pos_50eV_CB000077.txt [Raw Data] CB220_Umbelliferone_pos_40eV_CB000077.txt [Raw Data] CB220_Umbelliferone_pos_30eV_CB000077.txt [Raw Data] CB220_Umbelliferone_pos_10eV_CB000077.txt [Raw Data] CB220_Umbelliferone_pos_20eV_CB000077.txt [Raw Data] CB220_Umbelliferone_neg_40eV_000039.txt [Raw Data] CB220_Umbelliferone_neg_10eV_000039.txt [Raw Data] CB220_Umbelliferone_neg_30eV_000039.txt [Raw Data] CB220_Umbelliferone_neg_20eV_000039.txt Umbelliferone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=93-35-6 (retrieved 2024-07-12) (CAS RN: 93-35-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent. Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent.

   

4-Hydroxycoumarin

4-Hydroxy Coumarin;4-Coumarinol;4-Hydroxy-2H-chromen-2-one

C9H6O3 (162.0317)


4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-). 4-Hydroxycoumarin is a natural product found in Vitis vinifera, Ruta graveolens, and Apis cerana with data available. CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins CONFIDENCE standard compound; INTERNAL_ID 2312 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1]. 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1].

   

Allicin

Diallyldisulfid-S-oxid, 3-prop-2-enylsulfinylsulfanylprop-1-ene

C6H10OS2 (162.0173)


Allicin is found in garden onion. Allicin is isolated from garlic (Allium sativum). Nutriceutical Allicin is an organic compound obtained from garlic. It is also obtainable from onions, and other species in the family Alliaceae. It was first isolated and studied in the laboratory by Chester J. Cavallito in 1944. This colourless liquid has a distinctively pungent smell. This compound exhibits antibacterial and anti-fungal properties. Allicin is garlics defence mechanism against attacks by pests Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent. Allicin has been used in trials studying the treatment of Follicular Lymphoma. Allicin is a natural product found in Allium chinense, Allium nutans, and other organisms with data available. See also: Garlic (part of). D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants Isolated from garlic (Allium sativum). Nutriceutical D009676 - Noxae > D000963 - Antimetabolites D000890 - Anti-Infective Agents D007004 - Hypoglycemic Agents Allicin (diallyl thiosulfinate) is isolated from garlic including Diallyl monosulfide, Diallyl disulfide, Diallyl trisulfide, Diallyl tetrasulfide, and Methyl allyl disulphide etc. They accounts for 98\\% of the extract. Allicin (diallyl thiosulfinate) has highly potent antimicrobial activity, and inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1][2]. Allicin (diallyl thiosulfinate) is isolated from garlic including Diallyl monosulfide, Diallyl disulfide, Diallyl trisulfide, Diallyl tetrasulfide, and Methyl allyl disulphide etc. They accounts for 98\% of the extract. Allicin (diallyl thiosulfinate) has highly potent antimicrobial activity, and inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1][2].

   

3-hydroxy-3-methylglutarate

beta-Hydroxy-beta-methylglutaric acid

C6H10O5 (162.0528)


3-Hydroxymethylglutaric acid is an "off-product" intermediate in the leucine degradation process. It is produced by defective or inefficient versions of 3-hydroxy-3-methylglutaryl-CoA lyase, an enzyme that normally catalyzes the conversion of 3-hydroxy-3-methylglutaryl-CoA to acetyl-CoA and acetoacetate. If this enzyme is defective, 3-hydroxy-3-methylglutaryl-CoA will accumulate in the mitochondria. Increased concentrations of 3-hydroxy-3-methylglutaryl-CoA can lead to a disruption of the esterified CoA:free CoA ratio and ultimately to mitochondrial toxicity. Detoxification of these CoA end products occurs via the transfer of the 3-hydroxymethylglutaryl moiety to carnitine, forming 3-hydroxymethylglutaric-carnitine, which is then transferred across the inner mitochondrial membrane where 3-hydroxymethylglutaric acid is released as the free acid. 3-Hydroxymethylglutaric acid has been found to accumulate in the urine of patients affected by 3-Hydroxy-3-methylglutaric aciduria, a rare inborn error of metabolism (OMIM: 246450). 3-Hydroxy-3-methylglutaric aciduria is caused by significantly reduced enzyme activity of the intramitochondrial 3-hydroxy-3-methylglutaryl-CoA lyase (EC 4.1.3.4), the enzyme that catalyzes the final step of leucine degradation. This enzyme also plays a key role in ketone body formation. The profile of urinary organic acids for individuals with 3-hydroxy-3-methylglutaric aciduria is different from that of the other identified defects of leucine degradation, such as maple syrup urine disease (OMIM: 248600), isovaleric acidemia (OMIM: 243500), and methylcrotonylglycinemia (OMIM: 210200). The urinary organic acid profile of 3-hydroxy-3-methylglutaric aciduria includes elevated concentrations of 3-hydroxy-3-isovaleric, 3-hydroxy-3-methylglutaric, 3-methylglutaconic, and 3-methylglutaric acids (PMID: 10916782, 9658458, 3063529). Clinical manifestations of 3-hydroxy-3-methylglutaric aciduria include hepatomegaly, lethargy, coma, and apnea. Biochemically, there is a characteristic absence of ketosis with hypoglycemia, acidosis, hypertransaminasemia, and variable hyperammonemia. Therefore, when present in sufficiently high concentrations, 3-hydroxymethylglutaric acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. As noted above, chronically high levels of 3-hydroxymethylglutaric acid are associated with the inborn error of metabolism 3-hydroxy-3-methylglutaryl-CoA lyase deficiency. 3-Hydroxymethylglutaric acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. 3-hydroxymethylglutaric acid, also known as meglutol or dicrotalic acid, is a member of the class of compounds known as hydroxy fatty acids. Hydroxy fatty acids are fatty acids in which the chain bears a hydroxyl group. 3-hydroxymethylglutaric acid is soluble (in water) and a weakly acidic compound (based on its pKa). 3-hydroxymethylglutaric acid can be synthesized from glutaric acid. 3-hydroxymethylglutaric acid is also a parent compound for other transformation products, including but not limited to, viscumneoside VII, viscumneoside IV, and yanuthone D. 3-hydroxymethylglutaric acid can be found in flaxseed, which makes 3-hydroxymethylglutaric acid a potential biomarker for the consumption of this food product. 3-hydroxymethylglutaric acid can be found primarily in saliva and urine. 3-hydroxymethylglutaric acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Chronically high levels of 3-hydroxymethylglutaric acid are associated with the inborn error of metabolism: 3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency (T3DB). Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis. Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis.

   

Methomyl

(E)-[(methyl-C-hydroxycarbonimidoyl)oxy][1-(methylsulfanyl)ethylidene]amine

C5H10N2O2S (162.0463)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor Methomyl is an Agricultural insecticide and nematocid CONFIDENCE standard compound; EAWAG_UCHEM_ID 2942 CONFIDENCE standard compound; INTERNAL_ID 2619 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

   

Dimethyl malate

(3S)-2-hydroxy-2,3-dimethylbutanedioic acid

C6H10O5 (162.0528)


KEIO_ID D083

   

Diethyl dicarbonate

Diethyl ester OF pyrocarbonic acid

C6H10O5 (162.0528)


Diethyl dicarbonate is formerly used as a fermentation inhibitor and preservative for wines, soft drinks and fruit juices. No longer permitted as a food additive. Formerly used as a fermentation inhibitor and preservative for wines, soft drinks and fruit juices. No longer permitted as a food additive.

   

2-hydroxymethylglutaric acid

(S)-2-(Hydroxymethyl)glutarate

C6H10O5 (162.0528)


   

lichenin

(2S,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol

C6H10O5 (162.0528)


   

(R)-3,3-dimethylmalic acid

3-hydroxy-2,2-dimethylbutanedioic acid

C6H10O5 (162.0528)


   

4-Hydroxy-2-oxoglutaric acid

(+/-)-2-hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


4-Hydroxy-2-ketoglutaric acid is a substrate for Fructose-bisphosphate aldolase A. [HMDB] 4-Hydroxy-2-ketoglutaric acid is a substrate for Fructose-bisphosphate aldolase A.

   

3-Ethylmalate

2-Ethyl-3-hydroxybutanedioic acid

C6H10O5 (162.0528)


   

2-Hydroxyadipic acid

2-hydroxy-Hexanedioic acid

C6H10O5 (162.0528)


2-Hydroxyadipic acid is a hydroxy-dicarboxylic acid formed by the reduction of 2-ketoadipic acid. A deficiency of 2-ketoadipic dehydrogenase causes 2-ketoadipic acidemia or 2-oxoadipic acidemia (OMIM: 245130), a genetic disorder characterized by accumulation and excretion of 2-hydroxyadipic acid (with 2-ketoadipic and 2-aminoadipic) (OMMBID - The Online Metabolic and Molecular Bases of Inherited Disease, CH.95). When present in sufficiently high levels, 2-hydroxyadipic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of 2-hydroxyadipic acid are associated with at least three inborn errors of metabolism including 2-oxoadipic acidemia, 2-aminoadipic aciduria, and 2-oxoadipic aciduria. 2-Hydroxyadipic acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, kidney abnormalities, liver damage, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. 2-Hydroxyadipic acid is a hydroxy-dicarboxylic acid formed by the reduction of 2-ketoadipic acid. Deficiency of 2-ketoadipic dehydrogenase causes 2-ketoadipic acidemia (OMIM 245130), a condition characterized by accumulation and excretion of 2-hydroxyadipic acid (with 2-ketoadipic and 2-aminoadipic) probably without adverse phenotypic effects.(OMMBID - The Metabolic and Molecular Bases of Inherited Disease, CH.95). A method involving derivatization and combined gas chromatography--mass spectrometry has been recently developed to separate the enantiomers of 3-hydroxyadipic acid (PMID: 3980660). It has been shown that 3-hydroxyadipic acid excreted in urine consists of at least 95\\\% of the L-enantiomer. This finding supports the hypothesis that dicarboxylic acids are degraded by ordinary beta-oxidation, and indicates that adipic acid may be converted into succinic acid. (PMID: 3980660) [HMDB] 2-Hydroxyadipic acid is an organic acid, formed by the reduction of 2-ketoadipic acid.

   

2-Hydroxy-2-ethylsuccinic acid

2-ethyl-2-hydroxybutanedioic acid

C6H10O5 (162.0528)


2-Hydroxy-2-ethylsuccinic acid belongs to the family of Hydroxy Fatty Acids. These are fatty acids in which the chain bears an hydroxyl group.

   

L-Rhamno-1,4-lactone

6-Deoxy-D-mannono-4-lactone

C6H10O5 (162.0528)


   

SCHEMBL21051772

2-dehydro-3-deoxy-L-fuconic acid

C6H10O5 (162.0528)


   

3,6-Anhydrogalactose

3,6-Anhydro-D-galactose

C6H10O5 (162.0528)


   

D-1,5-Anhydrofructose

4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

C6H10O5 (162.0528)


D-1,5-Anhydrofructose is found in fruits. D-1,5-Anhydrofructose is isolated from Morchella vulgaris (morel). Isolated from Morchella vulgaris (morel). D-1,5-Anhydrofructose is found in fruits.

   

1-Tridecene-3,5,7,9,11-pentayne

Tridec-1-ene-3,5,7,9,11-pentayne

C13H6 (162.0469)


1-Tridecene-3,5,7,9,11-pentayne is found in burdock. 1-Tridecene-3,5,7,9,11-pentayne is found in leaves, flowers and seeds of numerous species e.g. Valeriana officinalis (valerian Found in leaves, flowers and seeds of numerous subspecies e.g. Valeriana officinalis (valerian)

   

Ethoxyflurane

2-Chloro-1,1,2-trifluoroethyl ethyl ether

C4H6ClF3O (162.0059)


   

1,2-Dihydroxy-3-keto-5-methylthiopentene

(1Z)-1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one

C6H10O3S (162.0351)


At physiological pH, this molecule, 1,2-dihydroxy-3-keto-5-methylthiopentene, is a monoanion, 1,2-dihydroxy-3-keto-5-methylthiopentene anion. 1,2-dihydroxy-3-keto-5-methylthiopentene anion, an aci-reductone, is believed to be an unstable intermediate in the methionine salvage pathway in Klebsiella pneumoniae. (MetaCyc).

   

2-Deoxyinosose

2-Deoxy-scyllo-inosose

C6H10O5 (162.0528)


   

2-oxo-5-Methylthiopentanoic acid

5-(Methylthio)-2-oxo-pentanoic acid

C6H10O3S (162.0351)


   

L-Fucono-1,5-lactone

L-Fucono-1,5-lactone

C6H10O5 (162.0528)


   

Dazomet

3,5-Dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione

C5H10N2S2 (162.0285)


CONFIDENCE standard compound; INTERNAL_ID 905; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5164; ORIGINAL_PRECURSOR_SCAN_NO 5160 CONFIDENCE standard compound; INTERNAL_ID 905; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5138; ORIGINAL_PRECURSOR_SCAN_NO 5134

   

3,6-anhydro-alpha-L-galactopyranose

3,6-anhydro-alpha-L-galactopyranose

C6H10O5 (162.0528)


   

D-4-Hydroxy-2-oxoglutarate

(2R)-2-hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


This compound belongs to the family of Gamma Keto-Acids and Derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom

   

L-4-hydroxy-2-oxoglutaric acid

L-4-hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


An optically active form of 4-hydroxy-2-oxoglutaric acid having L-configuration.

   

3,6-Anhydroglucose

3,6-Anhydro-D-glucose

C6H10O5 (162.0528)


   

2-Dehydro-3-deoxy-D-fuconate

2-dehydro-3-deoxy-D-fuconic acid

C6H10O5 (162.0528)


   

2-dehydro-3-deoxy-L-rhamnonate

2-Dehydro-3-deoxy-L-rhamnonic acid

C6H10O5 (162.0528)


   

D-Fucono-1,4-lactone

D-Fucono-1,4-lactone

C6H10O5 (162.0528)


   

3 Hydroxycoumarin

5-18-01-00376 (Beilstein Handbook Reference)

C9H6O3 (162.0317)


3-hydroxy-1-benzopyran-2-one is a hydroxycoumarin. 3-Hydroxycoumarin is a natural product found in Melilotus messanensis, Petchia erythrocarpa, and other organisms with data available. 3 hydroxycoumarin is a metabolite of coumarin. In particular, coumarin is metabolized by CYP3A4 to form 3-hydroxycoumarin (PMID 17286538). [HMDB] 3 hydroxycoumarin is a metabolite of coumarin. In particular, coumarin is metabolized by CYP3A4 to form 3-hydroxycoumarin (PMID 17286538). 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2].

   

para-Trifluoromethylphenol

ALPHA,ALPHA,ALPHA-TRIFLUORO-p-cresol

C7H5F3O (162.0292)


para-Trifluoromethylphenol is only found in individuals that have used or taken Fluoxetine. para-Trifluoromethylphenol is a metabolite of Fluoxetine. Para-trifluoromethylphenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.

   

Levoglucosan

6,8-Dioxabicyclo[3.2.1]octane b-delta-glucopyranose deriv.

C6H10O5 (162.0528)


Levoglucosan is an anhydrohexose that is the 1,6-anhydro-derivative of beta-D-glucopyranose. It is formed from the pyrolysis of carbohydrates, such as starch and cellulose. As a result, levoglucosan is often used as a chemical tracer for biomass burning in atmospheric chemistry studies, particularly with respect to airborne particulate matter. Levoglucosan in urine has been shown to be highly correlated with regional fires and as a biomarker for wood smoke exposure (PMID: 19165390). This is because the gas emitted by the pyrolysis of wood (biomass) contains significant amounts of levoglucosan. The hydrolysis of levoglucosan generates the fermentable sugar glucose, and therefore lignocellulosic material exhibits great potential as a renewable feedstock for the production of bioethanol. Levoglucosan can also be utilized in the synthesis of chiral polymers such as unhydrolysable glucose polymers. Levoglucosan is also produced via caramelization of sugar. Consumption of caramel or caramel-containing sweets can lead to a short-term 5X increase in urinary levels of levoglucosan (from 20 uM/mM creatinine to 100 uM/mM creatinine) (PMID: 19707249). Urinary levoglucosan levels increase within 2 h of caramel consumption and return to pre-exposure levels within 24 h. These data suggest that diet is a major factor in determining urinary levoglucosan levels and that recent dietary history needs to be taken into account to use levoglucosan as a marker for wood smoke exposure. Excretory levels of levoglucosan vary widely from zero up to 5.3 mmol/L (PMID: 3757263, 16448658, 16317539). Levoglucosan (1,6-Anhydro-β-D-glucopyranose) is an anhydrosugar produced through glucan pyrolysis and is widely found in nature[1].

   

8-Hydroxycoumarin

8-Hydroxycoumarin

C9H6O3 (162.0317)


   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.

   

6-Hydroxycoumarin

6-Hydroxycoumarin

C9H6O3 (162.0317)


   

Zwiebelane B

alpha-D-Galacto-beta-D-mannan, (1-4),(1-6)-, acetate

C6H10OS2 (162.0173)


Zwiebelane A is found in onion-family vegetables. Zwiebelane A is a constituent of onion (Allium cepa).

   

5-Hydroxycoumarin

2H-1-Benzopyran-2-one, 5-hydroxy-

C9H6O3 (162.0317)


   

3-Hydroxyadipic acid

3-Hydroxyhexanedioic acid

C6H10O5 (162.0528)


3-Hydroxyadipic acid is a normal urinary dicarboxylic acid derived from the omega-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer chain 3-hydroxy dicarboxylic acids (PMID 2001377). It is found to be elevated in patients with 3-hydroxydicarboxylic aciduria (PMID 1444166) and non-ketotic hypoglycemia (PMID 3168281). [HMDB] 3-Hydroxyadipic acid is a normal urinary dicarboxylic acid derived from the omega-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer chain 3-hydroxy dicarboxylic acids (PMID 2001377). It is found to be elevated in patients with 3-hydroxydicarboxylic aciduria (PMID 1444166) and non-ketotic hypoglycemia (PMID 3168281).

   

2(R)-Hydroxyadipic acid

(2R)-2-hydroxyhexanedioic acid

C6H10O5 (162.0528)


2(R)-Hydroxyadipic acid is an unusual metabolic isomer of 2-Hydroxyadipic acid (a metabolite that accumulates in 2-ketoadipic acidemia) normally present in bacteria, described in normal human biofluids (PMID 6788787) [HMDB] 2(R)-Hydroxyadipic acid is an unusual metabolic isomer of 2-hydroxyadipic acid (a metabolite that accumulates in 2-ketoadipic acidemia) normally present in bacteria and described in normal human biofluids (PMID: 6788787).

   

3-Hydroxy-2-methylglutaric acid

(2S,3R)-3-hydroxy-2-methylpentanedioic acid

C6H10O5 (162.0528)


3-Hydroxy-2-methylglutaric acid (CAS: 54665-33-7), also known as 2,4-dideoxy-2-methylpentaric acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. 3-Hydroxy-2-methylglutaric acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

   

D-1-Deoxy-erythro-hexo-2,3-diulose

1-(2,3,4-trihydroxyoxolan-2-yl)ethan-1-one

C6H10O5 (162.0528)


Postulated common intermediate in the formation of sugar-amine products in food browning and related reactions

   

S-2-Propenyl 1-propenesulfinothioate

3-{[(1E)-prop-1-ene-1-sulphinyl]sulphanyl}prop-1-ene

C6H10OS2 (162.0173)


S-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables. S-2-Propenyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-2-Propenyl 1-propenesulfinothioate is found in soft-necked garlic and onion-family vegetables.

   

R-2-Propenyl 1-propenesulfinothioate

3-{[(1Z)-prop-1-ene-1-sulphinyl]sulphanyl}prop-1-ene

C6H10OS2 (162.0173)


R-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables. R-2-Propenyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies R-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables.

   

R-1-Propenyl 2-propenesulfinothioate

(1Z)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


R-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. R-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.

   

Quindoxin

Quinoxaline-1,4-dioxide copper(II) salt

C8H6N2O2 (162.0429)


Quindoxin is a growth promoter for pigs and poultry. C254 - Anti-Infective Agent > C258 - Antibiotic Growth promoter for pigs and poultry

   

1-(Methylsulfanyl)-1-oxopropan-2-yl acetate

1-(Methylsulphanyl)-1-oxopropan-2-yl acetic acid

C6H10O3S (162.0351)


1-(Methylsulfanyl)-1-oxopropan-2-yl acetate is a flavour enhancer, e.g. for strawberry flavour Flavour enhancer, e.g. for strawberry flavour

   

1-Piperazinecarbodithioic acid

Piperazine-1-carbodithioic acid betaine

C5H10N2S2 (162.0285)


Once widely used as an anthelmintic for treatment of roundworm infection in pigs and poultry. Once widely used as an anthelmintic for treatment of roundworm infection in pigs and poultry

   

N-Nitrosothiazolidine-4-carboxylic acid

3-nitroso-1,3-thiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


N-Nitrosothiazolidine-4-carboxylic acid is found in animal foods. Non-mutagenic contaminant of smoked cured meats. N-Nitrosothiazolidine-4-carboxylic acid is a marker for in vivo N-nitrosations. Non-mutagenic contaminant of smoked cured meats. A marker for in vivo N-nitrosations. N-Nitrosothiazolidine-4-carboxylic acid is found in animal foods.

   

(1-Methylsulfanylethenylamino) N-methylcarbamate

(1-Methylsulphanylethenylamino) N-methylcarbamic acid

C5H10N2O2S (162.0463)


   

Phthalhydrazide

2,3-Dihydro-1,4-phthalazinedione, monoammonium salt

C8H6N2O2 (162.0429)


   

2,5-Anhydro-D-mannose

3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde

C6H10O5 (162.0528)


   

3-Deoxyglucosone

4,5,6-trihydroxy-2-oxohexanal

C6H10O5 (162.0528)


   

(2S)-2-[(2S,3S,4R)-3,4-Dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde

(2S)-2-[(2S,3S,4R)-3,4-Dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde

C6H10O5 (162.0528)


   

2-(2-Hydroxy-1-oxopropoxy)propionic acid

2-[(2-hydroxypropanoyl)oxy]propanoic acid

C6H10O5 (162.0528)


   

Conduritol epoxide

7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol

C6H10O5 (162.0528)


D004791 - Enzyme Inhibitors

   

Benzoyleneurea

2,4(1H,3H)-Quinazolinedione, 2-(11C-labeled)

C8H6N2O2 (162.0429)


Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1].

   

Glycerol pyruvate

2,3-Dihydroxypropyl 2-oxopropanoic acid

C6H10O5 (162.0528)


   

N-Acetylcysteinamide

2-acetamido-3-sulfanylpropanamide

C5H10N2O2S (162.0463)


   

1,5,6-Trihydroxyhexane-2,3-dione

1,5,6-Trihydroxyhexane-2,3-dione

C6H10O5 (162.0528)


   

thiosulfinate

1-[(prop-1-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


Thiosulfinate, also known as thiosulfinic acid, is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). Thiosulfinate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Thiosulfinate can be found in a number of food items such as salmonberry, nuts, summer grape, and red bell pepper, which makes thiosulfinate a potential biomarker for the consumption of these food products. In organosulfur chemistry, thiosulfinate is a functional group consisting of the linkage R-S(O)-S-R (R are organic substituents). Thiolsulfinates are also named as alkanethiosulfinic (or arenethiosulfinic) acid esters. They are the first member of a family of compounds containing an oxidized disulfide bond. Other members of this family include thiosulfonates (R-SO2-S-R), α-disulfoxides (R-S(O)-S(O)-R), sulfinyl sulfones (R-S(O)-SO2-R), and α-disulfones (R-SO2-SO2-R), all of which are known. The thiosulfinate group can occur in cyclic as well as acyclic structures .

   

Lichenin

(2R,3R,4R)-2-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol

C6H10O5 (162.0528)


Lichenin, also known as lichenan or moss starch, is a complex glucan occurring in certain species of lichens. It can be extracted from Cetraria islandica (Iceland moss). It has been studied since about 1957. Chemically, lichenin consists of repeating glucose units linked by beta-1,3 and beta-1,4 glycosidic bonds . Lichenin is soluble (in water) and a very weakly acidic compound (based on its pKa). Lichenin can be found in oat, which makes lichenin a potential biomarker for the consumption of this food product. Lichenin, also known as lichenan or moss starch, is a complex glucan occurring in certain species of lichens. It can be extracted from Cetraria islandica (Iceland moss). It has been studied since about 1957. Chemically, lichenin consists of repeating glucose units linked by β-1,3 and β-1,4 glycosidic bonds . Lichenin is soluble (in water) and a very weakly acidic compound (based on its pKa). Lichenin can be found in oat, which makes lichenin a potential biomarker for the consumption of this food product.

   

1-Rhamnono-1,4-lactone

3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-one

C6H10O5 (162.0528)


1-rhamnono-1,4-lactone 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. 1-rhamnono-1,4-lactone is soluble (in water) and a very weakly acidic compound (based on its pKa). 1-rhamnono-1,4-lactone can be found in rice, which makes 1-rhamnono-1,4-lactone a potential biomarker for the consumption of this food product.

   

7-Hydroxychromone

7-hydroxy-4H-chromen-4-one

C9H6O3 (162.0317)


7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM. 7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM.

   

5-(Methylthio)-2-oxo-pentanoic acid

5-(Methylthio)-2-oxo-pentanoic acid

C6H10O3S (162.0351)


   

Benzoyleneurea

Benzoyleneurea

C8H6N2O2 (162.0429)


Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1].

   

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

C5H4F2N2O2 (162.0241)


   

4-Hydroxycoumarin

4-Hydroxy Coumarin;4-Coumarinol;4-Hydroxy-2H-chromen-2-one

C9H6O3 (162.0317)


4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-). 4-Hydroxycoumarin is a natural product found in Vitis vinifera, Ruta graveolens, and Apis cerana with data available. A hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins 4-hydroxycoumarin is an important fungal metabolite from the precursor coumarin, and its production leads to further fermentative production of the natural anticoagulant dicoumarol. 4-Hydroxy-2H-1-benzopyran-2-one is found in beer and grape wine. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2338 INTERNAL_ID 2338; CONFIDENCE Reference Standard (Level 1) 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1]. 4-Hydroxycoumarin, a coumarin derivative, is one of the most versatile heterocyclic scaffolds and is frequently applied in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors[1].

   

3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde

3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde

C6H10O5 (162.0528)


   

2-C-Methyl-D-ribonic Acid gamma-Lactone

2-C-Methyl-D-ribonic Acid gamma-Lactone

C6H10O5 (162.0528)


   

tridecapentaynene

tridecapentaynene

C13H6 (162.0469)


   

beta-D-2,6-Anhydrofructofuranose

beta-D-2,6-Anhydrofructofuranose

C6H10O5 (162.0528)


   

Austrasulfone

Austrasulfone

C6H10O3S (162.0351)


   

4,8-dioxabicyclo[3.2.1]octane-2,6,7-triol

4,8-dioxabicyclo[3.2.1]octane-2,6,7-triol

C6H10O5 (162.0528)


   

Benzofuran-2-carboxylic acid

Benzofuran-2-carboxylic acid

C9H6O3 (162.0317)


   

acetoxymalonic acid

acetoxymalonic acid

C5H6O6 (162.0164)


   

3,4,5-trihydroxy-2-methyl-tetrahydrofuran-3-carboxaldehyde

3,4,5-trihydroxy-2-methyl-tetrahydrofuran-3-carboxaldehyde

C6H10O5 (162.0528)


   
   

3,4-dideoxy-D-glycero-hexulosonic acid

3,4-dideoxy-D-glycero-hexulosonic acid

C6H10O5 (162.0528)


   

(()-2-Hydroxy-4-oxopentanedioic acid|(R)-2-Hydroxy-4-oxopentanedioic acid

(()-2-Hydroxy-4-oxopentanedioic acid|(R)-2-Hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


   

Isatin-3-oxime

Isatin-3-oxime

C8H6N2O2 (162.0429)


   

(E)-5-(2-Thienyl)-2-penten-4-ynal

(E)-5-(2-Thienyl)-2-penten-4-ynal

C9H6OS (162.0139)


   
   

8-hydroxy-4-quinazolone

8-hydroxy-4-quinazolone

C8H6N2O2 (162.0429)


   

SCHEMBL6668200

SCHEMBL6668200

C6H10O5 (162.0528)


   

SCHEMBL4628164

SCHEMBL4628164

C6H10O5 (162.0528)


   

4-ethoxy-2-hydroxy-4-oxobutanoic acid

4-ethoxy-2-hydroxy-4-oxobutanoic acid

C6H10O5 (162.0528)


   

Lepiochlorin

Lepiochlorin

C6H7ClO3 (162.0084)


   

SCHEMBL10194545

SCHEMBL10194545

C6H10O5 (162.0528)


   

9-Hydroxy-2,4,6-nonatriynoic acid

9-Hydroxy-2,4,6-nonatriynoic acid

C9H6O3 (162.0317)


   

Dimethyl methoxymalonate

Dimethyl methoxymalonate

C6H10O5 (162.0528)


   

1-Benzofuran-5-carboxylic acid

1-Benzofuran-5-carboxylic acid

C9H6O3 (162.0317)


   

6-Deoxy-arabino-hexos-5-ulose-D-furanose-form

6-Deoxy-arabino-hexos-5-ulose-D-furanose-form

C6H10O5 (162.0528)


   

SCHEMBL375633

SCHEMBL375633

C6H10O5 (162.0528)


   

4-Phenyl-1,2,3-thiadiazole

4-Phenyl-1,2,3-thiadiazole

C8H6N2S (162.0252)


   

ACMC-20mptc

ACMC-20mptc

C6H10OS2 (162.0173)


   

7FS6H939K6

InChI=1/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10

C9H6O3 (162.0317)


6-Hydroxycoumarin is a natural product found in Grevillea robusta and Amburana cearensis with data available. 6-Hydroxycoumarin is a coumarin which has anti-inflammatory, anti-pyretic, anti-oxidant, vasodilator, anti-amoebic, anti-bacterial, anti-fungal, bacteriostatic and antitumor activity[1]. 6-Hydroxycoumarin is a coumarin which has anti-inflammatory, anti-pyretic, anti-oxidant, vasodilator, anti-amoebic, anti-bacterial, anti-fungal, bacteriostatic and antitumor activity[1].

   

4-Trifluoromethylphenol

para-Trifluoromethylphenol

C7H5F3O (162.0292)


A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 673 CONFIDENCE standard compound; INTERNAL_ID 2009

   

Levoglucosan

6,8-Dioxabicyclo[3.2.1]octane b-delta-glucopyranose deriv.

C6H10O5 (162.0528)


A anhydrohexose that is the 1,6-anhydro-derivative of beta-D-glucopyranose. Acquisition and generation of the data is financially supported in part by CREST/JST. Levoglucosan (1,6-Anhydro-β-D-glucopyranose) is an anhydrosugar produced through glucan pyrolysis and is widely found in nature[1].

   

3-Hydroxy-3-methylglutarate

3-Hydroxy-3-methylglutaric acid

C6H10O5 (162.0528)


Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis. Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis.

   

Umbelliferone

7-hydroxycoumarine

C9H6O3 (162.0317)


Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent. Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent.

   

7-hydroxychromen-2-one

NCGC00095801-05!7-hydroxychromen-2-one

C9H6O3 (162.0317)


   

2-hydroxyadipic acid

2-hydroxyadipic acid

C6H10O5 (162.0528)


2-Hydroxyadipic acid is an organic acid, formed by the reduction of 2-ketoadipic acid.

   

3-Hydroxyadipic acid

3-Hydroxyadipic acid

C6H10O5 (162.0528)


   

3-Hydroxymethylglutaric acid

3-Hydroxy-3-methylglutaric acid

C6H10O5 (162.0528)


Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis. Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis.

   

3-Hydroxy-3-methylglutaric acid

3-Hydroxy-3-methylglutaric acid

C6H10O5 (162.0528)


A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura.

   

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

C9H6O3 (162.0317)


   

3-Hydroxy-3-methylglutaric acid

3-Hydroxy-3-methylglutaric acid

C6H10O5 (162.0528)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D009676 - Noxae > D000963 - Antimetabolites Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis. Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis.

   

Hydroxymethylglutaric acid

Hydroxymethylglutaric acid

C6H10O5 (162.0528)


Annotation level-2

   

Coumarin + 1O

Coumarin + 1O

C9H6O3 (162.0317)


Annotation level-3

   

Allicin (not validated)

Allicin (not validated)

C6H10OS2 (162.0173)


Annotation level-3

   

3-Methyl-3-hydroxypentanedioate

3-Methyl-3-hydroxypentanedioate

C6H10O5 (162.0528)


   

Fluxapyroxad (BAS 700 F)-TP CSCD465008

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

C5H4F2N2O2 (162.0241)


CONFIDENCE standard compound; UCHEM_ID 4183

   

4-Methylphthalic anhydride

5-Methyl-2-benzofuran-1,3-dione

C9H6O3 (162.0317)


CONFIDENCE standard compound; INTERNAL_ID 194; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10407; ORIGINAL_PRECURSOR_SCAN_NO 10405 CONFIDENCE standard compound; INTERNAL_ID 194; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8615; ORIGINAL_PRECURSOR_SCAN_NO 8611 CONFIDENCE standard compound; INTERNAL_ID 194; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10503; ORIGINAL_PRECURSOR_SCAN_NO 10499 CONFIDENCE standard compound; INTERNAL_ID 194; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10464; ORIGINAL_PRECURSOR_SCAN_NO 10462 CONFIDENCE standard compound; INTERNAL_ID 194; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8626; ORIGINAL_PRECURSOR_SCAN_NO 8622

   

3-Hydroxymethylglutarate

3-Hydroxy-3-methylglutaric acid

C6H10O5 (162.0528)


Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis. Meglutol is an antilipidemic agent that lowers cholesterol, triglycerides, and serum beta-lipoproteins and phospholipids, and inhibits hydroxymethylglutaryl-CoA reductase activity, which is the rate-limiting enzyme in cholesterol biosynthesis.

   

1,6-ANHYDRO-B-GLUCOSE

1,6-ANHYDRO-B-GLUCOSE

C6H10O5 (162.0528)


   

2-Hydroxyhexanedioic acid

2-Hydroxyhexanedioic acid

C6H10O5 (162.0528)


   

7-hydroxycoumarine

7-hydroxy-coumarin

C9H6O3 (162.0317)


Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent. Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent.

   

2S-hydroxy-Hexanedioic acid

2S-hydroxy-Hexanedioic acid

C6H10O5 (162.0528)


   

3-Hydroxycoumarin

3-Hydroxycoumarin

C9H6O3 (162.0317)


3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2].

   

3-hydroxymethyl-glutaric acid

3-(hydroxy-methyl)-pentanedioic acid

C6H10O5 (162.0528)


   

3 Hydroxycoumarin

o-Hydroxyphenylpyruvic acid lactone

C9H6O3 (162.0317)


3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2].

   

7-chloro-2E-heptenoic acid

7-chloro-2E-heptenoic acid

C7H11ClO2 (162.0448)


   

2S-hydroxyadipic acid

2S-hydroxy-Hexanedioic acid

C6H10O5 (162.0528)


   

3-hydroxy-adipic acid

3-hydroxy-hexanedioic acid

C6H10O5 (162.0528)


   

S-2-Propenyl 1-propenesulfinothioate

3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

5-Bromoprotocatechuic acid

3-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

R-1-Propenyl 2-propenesulfinothioate

(1Z)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

Celbar

Quinoxaline-1,4-dioxide copper(II) salt

C8H6N2O2 (162.0429)


C254 - Anti-Infective Agent > C258 - Antibiotic

   

1-(Methylsulfanyl)-1-oxopropan-2-yl acetate

1-(Methylsulfanyl)-1-oxopropan-2-yl acetate

C6H10O3S (162.0351)


   

Parvex

Piperazine-1-carbodithioic acid betaine

C5H10N2S2 (162.0285)


   

N-Nitrosothioproline

3-nitroso-1,3-thiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


   

Zwiebelane B

2,3-dimethyl-5$l^{4},6-dithiabicyclo[2.1.1]hexan-5-one

C6H10OS2 (162.0173)


   

FA 6:1;O3

2-hydroxy-2,3-dimethylbutanedioic acid

C6H10O5 (162.0528)


2-Hydroxyadipic acid is an organic acid, formed by the reduction of 2-ketoadipic acid.

   

Trideca-1-en-3,5,7,9,11-pentayne

Trideca-1-en-3,5,7,9,11-pentayne

C13H6 (162.0469)


   

2-Methyl-5-(trifluoromethyl)pyrimidine

2-Methyl-5-(trifluoromethyl)pyrimidine

C6H5F3N2 (162.0405)


   

1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid

C8H6N2O2 (162.0429)


   

2-quinoxalinethiol

2-quinoxalinethiol

C8H6N2S (162.0252)


   

Imidazo[1,2-a]pyridine-2-carboxylic acid

Imidazo[1,2-a]pyridine-2-carboxylic acid

C8H6N2O2 (162.0429)


   

1-Acetoxy-4-chloro-3-methyl-2-butene

(4-chloro-3-methylbut-2-enyl) acetate

C7H11ClO2 (162.0448)


   

4-Benzofurancarboxaldehyde,5-hydroxy-

4-Benzofurancarboxaldehyde,5-hydroxy-

C9H6O3 (162.0317)


   

7-Benzofurancarboxaldehyde,6-hydroxy-

7-Benzofurancarboxaldehyde,6-hydroxy-

C9H6O3 (162.0317)


   

6-Nitro-1H-indole

6-Nitro-1H-indole

C8H6N2O2 (162.0429)


   

Diethyleneglycol diformate

Diethyleneglycol diformate

C6H10O5 (162.0528)


   

(2,4,6-Trifluorophenyl)methanol

(2,4,6-Trifluorophenyl)methanol

C7H5F3O (162.0292)


   

2,5-Dimethyl-1-benzothiophene

2,5-Dimethyl-1-benzothiophene

C10H10S (162.0503)


   

2-Methyl-4H-pyrido[4,3-d][1,3]oxazin-4-one

2-Methyl-4H-pyrido[4,3-d][1,3]oxazin-4-one

C8H6N2O2 (162.0429)


   

DIMETHYLBENZOTHIOPHENE

DIMETHYLBENZOTHIOPHENE

C10H10S (162.0503)


   

PYRAZOLO[1,5-A]PYRIDINE-7-CARBOXYLIC ACID

PYRAZOLO[1,5-A]PYRIDINE-7-CARBOXYLIC ACID

C8H6N2O2 (162.0429)


   

benzimidazole carboxylic acid

1H-Benzimidazole-2-carboxylic acid

C8H6N2O2 (162.0429)


   

2-ACETYLTHIOISOBUTYRIC ACID

2-ACETYLTHIOISOBUTYRIC ACID

C6H10O3S (162.0351)


   

Imidazo[1,5-a]pyridine-1-carboxylic acid

Imidazo[1,5-a]pyridine-1-carboxylic acid

C8H6N2O2 (162.0429)


   

Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

C8H6N2O2 (162.0429)


   

methyl 3-cyanopyridine-2-carboxylate

methyl 3-cyanopyridine-2-carboxylate

C8H6N2O2 (162.0429)


   

trilithium hexafluoroaluminate

trilithium hexafluoroaluminate

AlF6Li3 (162.02)


   

Ethyl 3-chlorocyclobutanecarboxylate

Ethyl 3-chlorocyclobutanecarboxylate

C7H11ClO2 (162.0448)


   

Pyrimidine, 5-methyl-2-(trifluoromethyl)- (9CI)

Pyrimidine, 5-methyl-2-(trifluoromethyl)- (9CI)

C6H5F3N2 (162.0405)


   

hydrazine,sulfuric acid

hydrazine,sulfuric acid

H10N4O4S (162.0423)


   

Fenadiazole

Phenol,2-(1,3,4-oxadiazol-2-yl)-

C8H6N2O2 (162.0429)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

METHYLPHTHALIC ANHYDRIDE

METHYLPHTHALIC ANHYDRIDE

C9H6O3 (162.0317)


   

3,5-Dimethyl-1-benzothiophene

3,5-Dimethyl-1-benzothiophene

C10H10S (162.0503)


   

Sodium 3-hydroxypropane-1-sulphonate

Sodium 3-hydroxypropane-1-sulphonate

C3H7NaO4S (161.9963)


   

Indazole-3-carboxylic acid

Indazole-3-carboxylic acid

C8H6N2O2 (162.0429)


   

2-(Trifluoromethyl)-3-pyridinamine

2-(Trifluoromethyl)-3-pyridinamine

C6H5F3N2 (162.0405)


   

2-Methyl-3-Nitrobenzonitrile

2-Methyl-3-Nitrobenzonitrile

C8H6N2O2 (162.0429)


   

Imidazo[1,5-a]pyridine-6-carboxylic acid

Imidazo[1,5-a]pyridine-6-carboxylic acid

C8H6N2O2 (162.0429)


   
   

1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXYLIC ACID

1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXYLIC ACID

C8H6N2O2 (162.0429)


   

aminophthalimide

aminophthalimide

C8H6N2O2 (162.0429)


   

Sodium 3-fluorobenzoate

Sodium 3-fluorobenzoate

C7H4FNaO2 (162.0093)


   

1H-indole-2,3-dione, 3-oxime

1H-indole-2,3-dione, 3-oxime

C8H6N2O2 (162.0429)


   

Imidazo[1,5-a]pyridine-5-carboxylic acid

Imidazo[1,5-a]pyridine-5-carboxylic acid

C8H6N2O2 (162.0429)


   

4-Chloro-5-fluoro-2-methoxypyrimidine

4-Chloro-5-fluoro-2-methoxypyrimidine

C5H4ClFN2O (161.9996)


   

4,6-DIFLUORO-2-(METHYLTHIO)PYRIMIDINE

4,6-DIFLUORO-2-(METHYLTHIO)PYRIMIDINE

C5H4F2N2S (162.0063)


   

3-amino-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one

3-amino-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one

C5H10N2O2S (162.0463)


   

2-(difluoromethyl)pyrazole-3-carboxylic acid

2-(difluoromethyl)pyrazole-3-carboxylic acid

C5H4F2N2O2 (162.0241)


   

1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid

C8H6N2O2 (162.0429)


   

BENZOFURAN-3-CARBOXYLIC ACID

BENZOFURAN-3-CARBOXYLIC ACID

C9H6O3 (162.0317)


   

2-Butanone,3,3,4,4,4-pentafluoro-

2-Butanone,3,3,4,4,4-pentafluoro-

C4H3F5O (162.0104)


   

1,3,5-Benzenetricarbaldehyde

1,3,5-Benzenetricarbaldehyde

C9H6O3 (162.0317)


   

(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT

(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT

C7H5ClF2 (162.0048)


   

4-Hydroxy-1,8-naphthyridin-2(1H)-one

4-Hydroxy-1,8-naphthyridin-2(1H)-one

C8H6N2O2 (162.0429)


   

3-Methyl-5-nitrobenzonitrile

3-Methyl-5-nitrobenzonitrile

C8H6N2O2 (162.0429)


   

1,2,3-Oxadiazolium,5-hydroxy-3-phenyl-, inner salt

1,2,3-Oxadiazolium,5-hydroxy-3-phenyl-, inner salt

C8H6N2O2 (162.0429)


   

2-Ethynyl-4-nitroaniline

2-Ethynyl-4-nitroaniline

C8H6N2O2 (162.0429)


   

1,2-Benzisoxazole-5-carboxaldehyde,3-amino-(9CI)

1,2-Benzisoxazole-5-carboxaldehyde,3-amino-(9CI)

C8H6N2O2 (162.0429)


   

(2,5,6-trifluoropyridin-3-yl)methanamine

(2,5,6-trifluoropyridin-3-yl)methanamine

C6H5F3N2 (162.0405)


   

4-cyanaminobenzoic acid

4-cyanaminobenzoic acid

C8H6N2O2 (162.0429)


   

4-(1,3,4-OXADIAZOL-2-YL)PHENOL+

4-(1,3,4-OXADIAZOL-2-YL)PHENOL+

C8H6N2O2 (162.0429)


   

Sodium 4-fluorobenzoate

Sodium 4-fluorobenzoate

C7H4FNaO2 (162.0093)


   

Pyrazolo[1.5-a]pyridine-2-carboxylicacid

Pyrazolo[1.5-a]pyridine-2-carboxylicacid

C8H6N2O2 (162.0429)


   

7-hydroxy-1h-quinazolin-4-one

7-hydroxy-1h-quinazolin-4-one

C8H6N2O2 (162.0429)


   

(2S)-3-(Acetylsulfanyl)-2-methylpropanoic acid

(2S)-3-(Acetylsulfanyl)-2-methylpropanoic acid

C6H10O3S (162.0351)


   

lithium,2,3,4-trihydroxy-4-oxobutanoate

lithium,2,3,4-trihydroxy-4-oxobutanoate

C4H4Li2O6 (162.0328)


   

phenyltrifluorosilane

phenyltrifluorosilane

C6H5F3Si (162.0113)


   

methyldiacetoxysilane

methyldiacetoxysilane

C5H10O4Si (162.0348)


   

1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid

1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

C8H6N2O2 (162.0429)


   

3-Acetylthio-2-methylpropanoic acid

3-Acetylthio-2-methylpropanoic acid

C6H10O3S (162.0351)


   

pyrazolo[1,5-a]pyridine-5-carboxylic acid

pyrazolo[1,5-a]pyridine-5-carboxylic acid

C8H6N2O2 (162.0429)


   

1,6-NAPHTHYRIDINE-5,7-DIOL

1,6-NAPHTHYRIDINE-5,7-DIOL

C8H6N2O2 (162.0429)


   

4-Nitroindole

4-Nitroindole

C8H6N2O2 (162.0429)


   

2,3,5-Trifluorobenzyl alcohol

2,3,5-Trifluorobenzyl alcohol

C7H5F3O (162.0292)


   

1,2,4-Trifluoro-3-methoxybenzene

1,2,4-Trifluoro-3-methoxybenzene

C7H5F3O (162.0292)


   

2,4,6-trifluorophenylhydrazine

2,4,6-trifluorophenylhydrazine

C6H5F3N2 (162.0405)


   

1H-Imidazo[4,5-e]tetrazolo[1,5-b][1,2,4]triazine (9CI)

1H-Imidazo[4,5-e]tetrazolo[1,5-b][1,2,4]triazine (9CI)

C4H2N8 (162.0402)


   

Sodium 2-fluorobenzoate

Sodium 2-fluorobenzoate

C7H4FNaO2 (162.0093)


   

Pyrazolo[1,5-a]pyridine-3-carboxylic acid

Pyrazolo[1,5-a]pyridine-3-carboxylic acid

C8H6N2O2 (162.0429)


   

thiophene-3-carboximidamide,hydrochloride

thiophene-3-carboximidamide,hydrochloride

C5H7ClN2S (162.0018)


   

3,4-dimethylthiophene-2,5-dicarbonitrile

3,4-dimethylthiophene-2,5-dicarbonitrile

C8H6N2S (162.0252)


   

4-Aminophthalimide

4-Aminophthalimide

C8H6N2O2 (162.0429)


   

2-Mercapto-4,6-Dimethylpyrimidine Sodium Salt

2-Mercapto-4,6-Dimethylpyrimidine Sodium Salt

C6H7N2NaS (162.0228)


   

8-Hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde

8-Hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde

C8H6N2O2 (162.0429)


   

Pyrrolo[1,2-a]pyrimidine-3-carboxylic acid

Pyrrolo[1,2-a]pyrimidine-3-carboxylic acid

C8H6N2O2 (162.0429)


   

Methyl 2-cyanonicotinate

Methyl 2-cyanonicotinate

C8H6N2O2 (162.0429)


   

lithium,4-methylbenzenesulfinate

lithium,4-methylbenzenesulfinate

C7H7LiO2S (162.0327)


   

1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid

1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid

C8H6N2O2 (162.0429)


   

Pyrazolo[1,5-a]pyridine-4-carboxylic acid

Pyrazolo[1,5-a]pyridine-4-carboxylic acid

C8H6N2O2 (162.0429)


   

Hydrazine, (p-fluorophenyl)-, hydrochloride

Hydrazine, (p-fluorophenyl)-, hydrochloride

C6H8ClFN2 (162.036)


   

2,3,6-Trifluorobenzylalcohol

2,3,6-Trifluorobenzylalcohol

C7H5F3O (162.0292)


   

8-fluoronaphthalen-2-ol

8-fluoronaphthalen-2-ol

C10H7FO (162.0481)


   

ethyl 3-oxo-4-sulfanylbutanoate

ethyl 3-oxo-4-sulfanylbutanoate

C6H10O3S (162.0351)


   

2,3-Difluorobenzyl chloride

2,3-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

Sodium 5-oxo-4,5-dihydro-2-pyrazinecarboxylate

Sodium 5-oxo-4,5-dihydro-2-pyrazinecarboxylate

C5H3N2NaO3 (162.0041)


   

Methyl 2-cyanoisonicotinate

Methyl 2-cyanoisonicotinate

C8H6N2O2 (162.0429)


   

(Z)-1-Bromo-3-hexene

(Z)-1-Bromo-3-hexene

C6H11Br (162.0044)


   

(3H-Imidazol-4-yl)-acetic acid HCl

(3H-Imidazol-4-yl)-acetic acid HCl

C5H7ClN2O2 (162.0196)


2-(1H-Imidazol-5-yl)acetic acid hydrochloride is an endogenous metabolite.

   

Pentafluoropropylamidine

Pentafluoropropylamidine

C3H3F5N2 (162.0216)


   

5-Bromo-2-methyl-2-pentene

5-Bromo-2-methyl-2-pentene

C6H11Br (162.0044)


   

2,5-Difluorobenzyl chloride

2,5-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

5-bromohex-1-ene

5-bromohex-1-ene

C6H11Br (162.0044)


   

2-THIOPHEN-2-YL-PYRAZINE

2-THIOPHEN-2-YL-PYRAZINE

C8H6N2S (162.0252)


   

3-Nitro-4-methylbenzonitrile

3-Nitro-4-methylbenzonitrile

C8H6N2O2 (162.0429)


   

2-Nitrophenylacetonitrile

2-Nitrophenylacetonitrile

C8H6N2O2 (162.0429)


   

2-chlornaphthalen

2-Chloronaphthalene

C10H7Cl (162.0236)


   

4-Methyl-2-nitrobenzonitrile

4-Methyl-2-nitrobenzonitrile

C8H6N2O2 (162.0429)


   

Imidazo[1,2-a]pyridine-3-carboxylic Acid

Imidazo[1,2-a]pyridine-3-carboxylic Acid

C8H6N2O2 (162.0429)


   

Imidazo[1,5-a]pyridine-7-carboxylic acid

Imidazo[1,5-a]pyridine-7-carboxylic acid

C8H6N2O2 (162.0429)


   

3,4-Difluorobenzyl chloride

3,4-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

7-Azaindole-5-carboxylic acid

7-Azaindole-5-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid

1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid

C8H6N2O2 (162.0429)


   

2,3-O-Isopropylidene-2-C-methyl-D-ribonic-gamma-lactone

2,3-O-Isopropylidene-2-C-methyl-D-ribonic-gamma-lactone

C6H10O5 (162.0528)


   

2-FLUORO-1-NAPHTHOL

2-FLUORO-1-NAPHTHOL

C10H7FO (162.0481)


   

1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid

1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid

C8H6N2O2 (162.0429)


   

2-Amino-5-cyanobenzoic acid

2-Amino-5-cyanobenzoic acid

C8H6N2O2 (162.0429)


   

1-Chloro-2,5-difluoro-4-methylbenzene

1-Chloro-2,5-difluoro-4-methylbenzene

C7H5ClF2 (162.0048)


   

1,5-NAPHTHYRIDINE-4,8-DIOL

1,5-NAPHTHYRIDINE-4,8-DIOL

C8H6N2O2 (162.0429)


   

4-hydroxy-1H-1,7-naphthyridin-2-one

4-hydroxy-1H-1,7-naphthyridin-2-one

C8H6N2O2 (162.0429)


   

3-Pyridinol,2-amino-5-chloro-4-fluoro-

3-Pyridinol,2-amino-5-chloro-4-fluoro-

C5H4ClFN2O (161.9996)


   

2-amidinothiophene hydrochloride

2-amidinothiophene hydrochloride

C5H7ClN2S (162.0018)


   

Pyrrolo[1,2-a]pyrimidine-7-carboxylic acid (9CI)

Pyrrolo[1,2-a]pyrimidine-7-carboxylic acid (9CI)

C8H6N2O2 (162.0429)


   

2-CHLOROACETYL BUTYROLACTONE

2-CHLOROACETYL BUTYROLACTONE

C6H7ClO3 (162.0084)


   

Methyl 6-cyanopicolinate

Methyl 6-cyanopicolinate

C8H6N2O2 (162.0429)


   

5-Cyano-6-methylnicotinic acid

5-Cyano-6-methylnicotinic acid

C8H6N2O2 (162.0429)


   

2-Hydroxybenzotrifluoride

2-Hydroxybenzotrifluoride

C7H5F3O (162.0292)


   

Phenol - trifluoroborane (1:1)

Phenol - trifluoroborane (1:1)

C6H6BF3O (162.0464)


   

1-(Chloromethyl)-3,5-difluorobenzene

1-(Chloromethyl)-3,5-difluorobenzene

C7H5ClF2 (162.0048)


   

1-(difluoromethoxy)-4-fluorobenzene

1-(difluoromethoxy)-4-fluorobenzene

C7H5F3O (162.0292)


   

1-Chloronaphthalene

1-Chloronaphthalene

C10H7Cl (162.0236)


   

5-CYANO-2-METHYLISONICOTINIC ACID

5-CYANO-2-METHYLISONICOTINIC ACID

C8H6N2O2 (162.0429)


   

1[(5-chlorothiophen-2-yl)methyl]hydrazine

1[(5-chlorothiophen-2-yl)methyl]hydrazine

C5H7ClN2S (162.0018)


   

4-Amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

4-Amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

C3H3ClN4O2 (161.9945)


   

1H-Imidazole-1-acetic acid hydrochloride

1H-Imidazole-1-acetic acid hydrochloride

C5H7ClN2O2 (162.0196)


   

methyl 3-cyanopyridine-4-carboxylate

methyl 3-cyanopyridine-4-carboxylate

C8H6N2O2 (162.0429)


   

triethylarsine

triethylarsine

C6H15As (162.039)


   

1-Benzofuran-2-ylboronic acid

1-Benzofuran-2-ylboronic acid

C8H7BO3 (162.0488)


   

5-HYDROXY-4H-CHROMEN-4-ONE

5-HYDROXY-4H-CHROMEN-4-ONE

C9H6O3 (162.0317)


   

5-(Trifluoromethyl)-2-pyridinamine

5-(Trifluoromethyl)-2-pyridinamine

C6H5F3N2 (162.0405)


   

4-Methylpyrimidine-2-thiol hydrochloride (1:1)

4-Methylpyrimidine-2-thiol hydrochloride (1:1)

C5H7ClN2S (162.0018)


   

5-Phenyl-1,3,4-oxadiazol-2(3H)-one

5-Phenyl-1,3,4-oxadiazol-2(3H)-one

C8H6N2O2 (162.0429)


   

acetone sodium bisulfite

acetone sodium bisulfite

C3H7NaO4S (161.9963)


   

1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid

1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid

C8H6N2O2 (162.0429)


   

3-CHLORO-2,2-DIMETHYL-BUT-3-ENOIC ACID METHYL ESTER

3-CHLORO-2,2-DIMETHYL-BUT-3-ENOIC ACID METHYL ESTER

C7H11ClO2 (162.0448)


   

3-(Trifluoromethyl)-2-pyridinamine

3-(Trifluoromethyl)-2-pyridinamine

C6H5F3N2 (162.0405)


   

2-Amino-4-(trifluoromethyl)pyridine

2-Amino-4-(trifluoromethyl)pyridine

C6H5F3N2 (162.0405)


   

3-(1,3,4-oxadiazol-2-yl)phenol

3-(1,3,4-oxadiazol-2-yl)phenol

C8H6N2O2 (162.0429)


   

1H-Indazole-7-carboxylic acid

1H-Indazole-7-carboxylic acid

C8H6N2O2 (162.0429)


   

2,4-Imidazolidinedione,3-chloro-5,5-dimethyl-

2,4-Imidazolidinedione,3-chloro-5,5-dimethyl-

C5H7ClN2O2 (162.0196)


   

2-(2-THIAZOLYL)-PYRIDINE

2-(2-THIAZOLYL)-PYRIDINE

C8H6N2S (162.0252)


   

Imidazo[1,2-a]pyridine-5-carboxylic acid

Imidazo[1,2-a]pyridine-5-carboxylic acid

C8H6N2O2 (162.0429)


   

2-(4-Fluorophenyl)furan

2-(4-Fluorophenyl)furan

C10H7FO (162.0481)


   

Benzo[b]thiophene-5-carboxaldehyde

Benzo[b]thiophene-5-carboxaldehyde

C9H6OS (162.0139)


   

4-Nitrophenylacetonitrile

4-Nitrophenylacetonitrile

C8H6N2O2 (162.0429)


   

1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-

1H-Benzimidazole-1-carboxaldehyde,2,3-dihydro-2-oxo-

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid

C8H6N2O2 (162.0429)


   

2,4,5-trifluoroanisole

2,4,5-trifluoroanisole

C7H5F3O (162.0292)


   

4-Benzofurancarboxylic acid

4-Benzofurancarboxylic acid

C9H6O3 (162.0317)


   

4-Fluoronaphthalen-1-ol

4-Fluoronaphthalen-1-ol

C10H7FO (162.0481)


   

1(2H)-Phthalazinethione

1(2H)-Phthalazinethione

C8H6N2S (162.0252)


   

3,4,5-Trifluorobenzenemethanol

3,4,5-Trifluorobenzenemethanol

C7H5F3O (162.0292)


   

3-(chloroMethyl)-5-(MethoxyMethyl)-1,2,4-oxadiazole

3-(chloroMethyl)-5-(MethoxyMethyl)-1,2,4-oxadiazole

C5H7ClN2O2 (162.0196)


   

2-Chloroisophthalonitrile

2-Chloroisophthalonitrile

C8H3ClN2 (161.9985)


   

1H-Pyrrolo[2,3-c]pyridine-7-carboxylic acid

1H-Pyrrolo[2,3-c]pyridine-7-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid

C8H6N2O2 (162.0429)


   

Sodium trihydroxy(phenyl)borate(1-)

Sodium trihydroxy(phenyl)borate(1-)

C6H8BNaO3 (162.0464)


   

BENZO[D]OXAZOLE-4-CARBOXAMIDE

BENZO[D]OXAZOLE-4-CARBOXAMIDE

C8H6N2O2 (162.0429)


   

1,1-dioxothiane-4-carbaldehyde

1,1-dioxothiane-4-carbaldehyde

C6H10O3S (162.0351)


   

5-Hydroxy-1H-indazole-4-carbaldehyde

5-Hydroxy-1H-indazole-4-carbaldehyde

C8H6N2O2 (162.0429)


   

Benzo[b]thiophene-2-carboxaldehyde

Benzo[b]thiophene-2-carboxaldehyde

C9H6OS (162.0139)


   

benzofuran-5-boronic acid

benzofuran-5-boronic acid

C8H7BO3 (162.0488)


   

1-chlorocyclohexane-1-carboxylic acid

1-chlorocyclohexane-1-carboxylic acid

C7H11ClO2 (162.0448)


   

5-Fluoro-2-pyridinemethanamine

5-Fluoro-2-pyridinemethanamine

C6H8ClFN2 (162.036)


   

3-(Trifluoromethyl)phenol

3-(Trifluoromethyl)phenol

C7H5F3O (162.0292)


   

1,3-bis(hydroxymethyl)imidazolidine-2-thione

1,3-bis(hydroxymethyl)imidazolidine-2-thione

C5H10N2O2S (162.0463)


   

Imidazo[1,5-a]pyridine-8-carboxylic acid

Imidazo[1,5-a]pyridine-8-carboxylic acid

C8H6N2O2 (162.0429)


   

Methyl 5-cyano-2-pyridinecarboxylate

Methyl 5-cyano-2-pyridinecarboxylate

C8H6N2O2 (162.0429)


   

3-Phenyl-1,2,4-oxadiazol-5-ol

3-Phenyl-1,2,4-oxadiazol-5-ol

C8H6N2O2 (162.0429)


   

1,4-Butanediol,2,2,3,3-tetrafluoro-

1,4-Butanediol,2,2,3,3-tetrafluoro-

C4H6F4O2 (162.0304)


   

(2,4,5-Trifluorphenyl)methanol

(2,4,5-Trifluorphenyl)methanol

C7H5F3O (162.0292)


   

(3-Fluorophenyl)hydrazine monohydrochloride

(3-Fluorophenyl)hydrazine monohydrochloride

C6H8ClFN2 (162.036)


   

(Bromomethyl)cyclopentane

(Bromomethyl)cyclopentane

C6H11Br (162.0044)


   

10-hydroxy-1,7-diazabicyclo[4.4.0]deca-2,4,6,9-tetraen-8-one

10-hydroxy-1,7-diazabicyclo[4.4.0]deca-2,4,6,9-tetraen-8-one

C8H6N2O2 (162.0429)


   

1,2-Benzenedicarbonitrile, 4-chloro-

1,2-Benzenedicarbonitrile, 4-chloro-

C8H3ClN2 (161.9985)


   

2,4-Imidazolidinedione,3-(2-chloroethyl)-

2,4-Imidazolidinedione,3-(2-chloroethyl)-

C5H7ClN2O2 (162.0196)


   

2-Chloro-5-fluoro-4-methoxypyrimidine

2-Chloro-5-fluoro-4-methoxypyrimidine

C5H4ClFN2O (161.9996)


   

Sodium 2-methoxyethanesulfonate

Sodium 2-methoxyethanesulfonate

C3H7NaO4S (161.9963)


   

3-Nitro-1H-indole

3-Nitro-1H-indole

C8H6N2O2 (162.0429)


   

3-Bromo-1,1-dimethylcyclobutane

3-Bromo-1,1-dimethylcyclobutane

C6H11Br (162.0044)


   

3-CYANO-2-NITROTOLUENE

3-CYANO-2-NITROTOLUENE

C8H6N2O2 (162.0429)


   

5-Benzimidazolecarboxylic Acid

5-Benzimidazolecarboxylic Acid

C8H6N2O2 (162.0429)


   

6-Hydroxy-5-azaindole-3-carbaldehyde

6-Hydroxy-5-azaindole-3-carbaldehyde

C8H6N2O2 (162.0429)


   

Imidazo[1,2-a]pyridine-7-carboxylic acid

Imidazo[1,2-a]pyridine-7-carboxylic acid

C8H6N2O2 (162.0429)


   

Boron trifluoride phenol complex

Boron trifluoride phenol complex

C6H6BF3O (162.0464)


   

Methyl 5-cyanonicotinate

Methyl 5-cyanonicotinate

C8H6N2O2 (162.0429)


   

1,1,2-Ethanetricarboxylicacid

1,1,2-Ethanetricarboxylicacid

C5H6O6 (162.0164)


   

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid

C8H6N2O2 (162.0429)


   

Benzo[b]thiophene-4-carboxaldehyde

Benzo[b]thiophene-4-carboxaldehyde

C9H6OS (162.0139)


   

7-Azaindole-4-carboxylic acid

7-Azaindole-4-carboxylic acid

C8H6N2O2 (162.0429)


   

2,4-Difluorobenzyl chloride

2,4-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

phenol--boron trifluoride

phenol--boron trifluoride

C6H6BF3O (162.0464)


   

(Trifluoromethoxy)benzene

(Trifluoromethoxy)benzene

C7H5F3O (162.0292)


   

Benzofuran-6-carboxylic acid

Benzofuran-6-carboxylic acid

C9H6O3 (162.0317)


   

5-Chloro-3-isopropyl-1,2,4-thiadiazole

5-Chloro-3-isopropyl-1,2,4-thiadiazole

C5H7ClN2S (162.0018)


   

Benzo[b]thiophene-6-carbaldehyde

Benzo[b]thiophene-6-carbaldehyde

C9H6OS (162.0139)


   

Methyl 1H-imidazole-5-carboxylate hydrochloride

Methyl 1H-imidazole-5-carboxylate hydrochloride

C5H7ClN2O2 (162.0196)


   

6-(2-furyl)pyridazin-3(2H)-one

6-(2-furyl)pyridazin-3(2H)-one

C8H6N2O2 (162.0429)


   

1-Methyl-1H-pyrazol-4-ylboronic acid, HCl

1-Methyl-1H-pyrazol-4-ylboronic acid, HCl

C4H8BClN2O2 (162.0367)


   

5-Hydroxy-4-azaindole-3-carbaldehyde

5-Hydroxy-4-azaindole-3-carbaldehyde

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid

1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid

C8H6N2O2 (162.0429)


   

Pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Pyrrolo[1,2-b]pyridazine-6-carboxylic acid

C8H6N2O2 (162.0429)


   

5-Amino-2-(trifluoromethyl)pyridine

5-Amino-2-(trifluoromethyl)pyridine

C6H5F3N2 (162.0405)


   

1-bromo-5-hexene

1-bromo-5-hexene

C6H11Br (162.0044)


   

(2-Fluorophenyl)hydrazinium chloride

(2-Fluorophenyl)hydrazinium chloride

C6H8ClFN2 (162.036)


   

5-(Trifluoromethyl)pyridin-3-amine

5-(Trifluoromethyl)pyridin-3-amine

C6H5F3N2 (162.0405)


   

Cyclohexyl Chloroformate

Cyclohexyl Chloroformate

C7H11ClO2 (162.0448)


   

3-Chlorocarbonylacrylic acid ethyl ester

3-Chlorocarbonylacrylic acid ethyl ester

C6H7ClO3 (162.0084)


   

2H-Pyrido[1,2-a]pyrimidine-2,4(3H)-dione

2H-Pyrido[1,2-a]pyrimidine-2,4(3H)-dione

C8H6N2O2 (162.0429)


   

1,2,4-Benzenetricarbaldehyde

1,2,4-Benzenetricarbaldehyde

C9H6O3 (162.0317)


   

1-Benzofuran-3-ylboronic acid

1-Benzofuran-3-ylboronic acid

C8H7BO3 (162.0488)


   

2-(oxan-4-yl)acetyl chloride

2-(oxan-4-yl)acetyl chloride

C7H11ClO2 (162.0448)


   

1-Benzothiophene-3-carbaldehyde

1-Benzothiophene-3-carbaldehyde

C9H6OS (162.0139)


   

Methyl 6-cyanonicotinate

Methyl 6-cyanonicotinate

C8H6N2O2 (162.0429)


   

CHEMBRDG-BB 4017866

CHEMBRDG-BB 4017866

C5H7ClN2O2 (162.0196)


   

2-Benzoxazolecarboxamide(7CI,8CI,9CI)

2-Benzoxazolecarboxamide(7CI,8CI,9CI)

C8H6N2O2 (162.0429)


   

6-chloro-5-fluoro-2-methyl-4(1H)-Pyrimidinone

6-chloro-5-fluoro-2-methyl-4(1H)-Pyrimidinone

C5H4ClFN2O (161.9996)


   

[1-(Difluoromethyl)-1H-pyrazol-4-yl]boronic acid

[1-(Difluoromethyl)-1H-pyrazol-4-yl]boronic acid

C4H5BF2N2O2 (162.0412)


   

5-CHLORO-1,1,1-TRIFLUORO-3-OXAPENTANE 97

5-CHLORO-1,1,1-TRIFLUORO-3-OXAPENTANE 97

C4H6ClF3O (162.0059)


   

2-C-Methyl-D-ribono-1,4-lactone

2-C-Methyl-D-ribono-1,4-lactone

C6H10O5 (162.0528)


   

Imidazo[1,2-a]pyridine-8-carboxylic acid

Imidazo[1,2-a]pyridine-8-carboxylic acid

C8H6N2O2 (162.0429)


   

3,4-Dihydro-6-hydroxyquinazolin-4-one

3,4-Dihydro-6-hydroxyquinazolin-4-one

C8H6N2O2 (162.0429)


   

3-Deoxyglucosone

D-3-Deoxyglucosone

C6H10O5 (162.0528)


   

2-AMINO-4H-BENZO[D][1,3]OXAZIN-4-ONE

2-AMINO-4H-BENZO[D][1,3]OXAZIN-4-ONE

C8H6N2O2 (162.0429)


   

Pyrrolo[1,2-a]pyrazine-4-carboxylic acid (9CI)

Pyrrolo[1,2-a]pyrazine-4-carboxylic acid (9CI)

C8H6N2O2 (162.0429)


   

3-amino-4-trifluoromethylpyridine

3-amino-4-trifluoromethylpyridine

C6H5F3N2 (162.0405)


   

5-Nitroindole

5-Nitroindole

C8H6N2O2 (162.0429)


   

5,6-DIOXO-1,4,5,6-TETRAHYDROPYRAZINE-2,3-DICARBONITRILE

5,6-DIOXO-1,4,5,6-TETRAHYDROPYRAZINE-2,3-DICARBONITRILE

C6H2N4O2 (162.0178)


   

2,5-Anhydro-D-mannose

2,5-Anhydro-D-mannose

C6H10O5 (162.0528)


   

(3-Nitrophenyl)acetonitrile

(3-Nitrophenyl)acetonitrile

C8H6N2O2 (162.0429)


   

4-Indazolecarboxylic acid

4-Indazolecarboxylic acid

C8H6N2O2 (162.0429)


   

1H-Indazole-5-carboxylic acid

1H-Indazole-5-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-Indazole-6-carboxylic acid

1H-Indazole-6-carboxylic acid

C8H6N2O2 (162.0429)


   

1H-Pyrrolo[2,3-B]Pyridine-3-Carboxylic Acid

1H-Pyrrolo[2,3-B]Pyridine-3-Carboxylic Acid

C8H6N2O2 (162.0429)


   

HYDROXYALUMINIUM DI(ACETATE)

HYDROXYALUMINIUM DI(ACETATE)

C4H7AlO5 (162.0109)


   
   

6-fluorobenzo[c]isoxazole-3-carbonitrile

6-fluorobenzo[c]isoxazole-3-carbonitrile

C8H3FN2O (162.0229)


   

1H-Benzimidazole-4-carboxylic acid

1H-Benzimidazole-4-carboxylic acid

C8H6N2O2 (162.0429)


   

lithium tartrate

lithium tartrate

C4H4Li2O6 (162.0328)


   

3-amino-4-cyanobenzoic acid

3-amino-4-cyanobenzoic acid

C8H6N2O2 (162.0429)


   

Ethanone,1-oxazolo[4,5-b]pyridin-2-yl-(9CI)

Ethanone,1-oxazolo[4,5-b]pyridin-2-yl-(9CI)

C8H6N2O2 (162.0429)


   

Cyclopropanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1R,2S)-rel- (9CI)

Cyclopropanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1R,2S)-rel- (9CI)

C6H7ClO3 (162.0084)


   

3-Methyl-2,3,5-trihydroxy-4-pentanolide

3-Methyl-2,3,5-trihydroxy-4-pentanolide

C6H10O5 (162.0528)


   

METHYL 1H-PYRAZOLE-4-CARBOXYLATE HYDROCHLORIDE

METHYL 1H-PYRAZOLE-4-CARBOXYLATE HYDROCHLORIDE

C5H7ClN2O2 (162.0196)


   

5-aminoisatin

5-aminoisatin

C8H6N2O2 (162.0429)


   

7-Nitro-1H-indole

7-Nitro-1H-indole

C8H6N2O2 (162.0429)


   

1,4-Anhydro-β-D-glucopyranose

1,4-Anhydro-β-D-glucopyranose

C6H10O5 (162.0528)


   

1-cyano-N-phenylmethanethioamide

1-cyano-N-phenylmethanethioamide

C8H6N2S (162.0252)


   

Methoxyacetic anhydride

Methoxyacetic anhydride

C6H10O5 (162.0528)


   

1-OXO-1,3-DIHYDROISOBENZOFURAN-5-CARBALDEHYDE

1-OXO-1,3-DIHYDROISOBENZOFURAN-5-CARBALDEHYDE

C9H6O3 (162.0317)


   

4-Cyano-6-Methyl-pyridine-2-carboxylic acid

4-Cyano-6-Methyl-pyridine-2-carboxylic acid

C8H6N2O2 (162.0429)


   

2,3,4-Trifluorobenzyl alcohol

2,3,4-Trifluorobenzyl alcohol

C7H5F3O (162.0292)


   

1,1,1-Trishydroxymethylpropane bicyclic phosphite

1,1,1-Trishydroxymethylpropane bicyclic phosphite

C6H11O3P (162.0446)


   

Boronic acid,4-benzofuranyl- (9CI)

Boronic acid,4-benzofuranyl- (9CI)

C8H7BO3 (162.0488)


   

Phloroglucinol dihydrate

Phloroglucinol dihydrate

C6H10O5 (162.0528)


   

1H-Benzimidazole-1-carboxylicacid(9CI)

1H-Benzimidazole-1-carboxylicacid(9CI)

C8H6N2O2 (162.0429)


   

2,3-dihydroxyquinoxaline

2,3-dihydroxyquinoxaline

C8H6N2O2 (162.0429)


   

Conduritol b epoxide

Conduritol B Epoxide (Conduritol Epoxide)

C6H10O5 (162.0528)


D004791 - Enzyme Inhibitors

   

3-Aminophthalimide

3-Aminophthalimide

C8H6N2O2 (162.0429)


   

3-Chlorophthalonitrile

3-Chlorophthalonitrile

C8H3ClN2 (161.9985)


   

[1,8]NAPHTHYRIDINE-2,5-DIOL

[1,8]NAPHTHYRIDINE-2,5-DIOL

C8H6N2O2 (162.0429)


   

4-hydroxy-1,5-naphthyridin-2(1H)-one

4-hydroxy-1,5-naphthyridin-2(1H)-one

C8H6N2O2 (162.0429)


   

1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

C8H6N2O2 (162.0429)


   

5-hydroxy-1H-indazole-3-carbaldehyde

5-hydroxy-1H-indazole-3-carbaldehyde

C8H6N2O2 (162.0429)


   

2,6-Difluorobenzyl chloride

2,6-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

6-nitro-m-tolunitrile

6-nitro-m-tolunitrile

C8H6N2O2 (162.0429)


   

1H-1,2,4-Triazole-3-sulfonamide,5-methyl-(9CI)

1H-1,2,4-Triazole-3-sulfonamide,5-methyl-(9CI)

C3H6N4O2S (162.0211)


   

1-Chloro-4,5-difluoro-2-methylbenzene

1-Chloro-4,5-difluoro-2-methylbenzene

C7H5ClF2 (162.0048)


   

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine

C3H6N4O2S (162.0211)


   

4-Amino-3-(trifluoromethyl)pyridine

4-Amino-3-(trifluoromethyl)pyridine

C6H5F3N2 (162.0405)


   

oxamyl-oxime

Methyl 2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate

C5H10N2O2S (162.0463)


   

3-THIAZOL-2-YL-PYRIDINE

3-THIAZOL-2-YL-PYRIDINE

C8H6N2S (162.0252)


   

1,8-dihydro-1,8-naphthyridine-2,7-dione

1,8-dihydro-1,8-naphthyridine-2,7-dione

C8H6N2O2 (162.0429)


   

1H-Imidazole-5-sulfonic acid,2-methyl-

1H-Imidazole-5-sulfonic acid,2-methyl-

C4H6N2O3S (162.0099)


   

1H-2-Benzopyran-1,4(3H)-dione(9CI)

1H-2-Benzopyran-1,4(3H)-dione(9CI)

C9H6O3 (162.0317)


   

Bromocyclohexane

Bromocyclohexane

C6H11Br (162.0044)


   

2-methylimidazole-4-sulfonic acid

2-methylimidazole-4-sulfonic acid

C4H6N2O3S (162.0099)


   

5-Methylimidazole-4-sulfonic acid

5-Methylimidazole-4-sulfonic acid

C4H6N2O3S (162.0099)


   

HOMOPHTHALIC ANHYDRIDE

HOMOPHTHALIC ANHYDRIDE

C9H6O3 (162.0317)


   

p-Nitro-α-tolunitrile

p-Nitro-α-tolunitrile

C8H6N2O2 (162.0429)


   

5-Amino-1H-imidazole-4-carboxamide hydrochloride

5-Amino-1H-imidazole-4-carboxamide hydrochloride

C4H7ClN4O (162.0308)


   

2,4,5-TRIFLUORO-1,3-PHENYLENEDIAMINE

2,4,5-TRIFLUORO-1,3-PHENYLENEDIAMINE

C6H5F3N2 (162.0405)


   

o-tolunitrile, 6-nitro-

o-tolunitrile, 6-nitro-

C8H6N2O2 (162.0429)


   

2-(Trifluoromethyl)pyridin-4-amine

2-(Trifluoromethyl)pyridin-4-amine

C6H5F3N2 (162.0405)


   

2,3,4-Trifluoroanisole

2,3,4-Trifluoroanisole

C7H5F3O (162.0292)


   

2,4,6-TRIFLUOROANISOLE

2,4,6-TRIFLUOROANISOLE

C7H5F3O (162.0292)


   

3,4,5-TRIFLUOROANISOLE

3,4,5-TRIFLUOROANISOLE

C7H5F3O (162.0292)


   

2-Amino-6-(trifluoromethyl)pyridine

2-Amino-6-(trifluoromethyl)pyridine

C6H5F3N2 (162.0405)


   

3-Methyl-4-nitrobenzonitrile

3-Methyl-4-nitrobenzonitrile

C8H6N2O2 (162.0429)


   

3-(PYRIDIN-4-YL)ISOXAZOL-5(4H)-ONE

3-(PYRIDIN-4-YL)ISOXAZOL-5(4H)-ONE

C8H6N2O2 (162.0429)


   

3-(3-Pyridinyl)-5(4H)-isoxazolone

3-(3-Pyridinyl)-5(4H)-isoxazolone

C8H6N2O2 (162.0429)


   

2-Methyl-5-nitrobenzonitrile

2-Methyl-5-nitrobenzonitrile

C8H6N2O2 (162.0429)


   

Benzofuran-7-carboxylic acid

Benzofuran-7-carboxylic acid

C9H6O3 (162.0317)


   

N-Acetylcysteine amide

N-Acetylcysteine amide

C5H10N2O2S (162.0463)


C26170 - Protective Agent > C275 - Antioxidant

   

3,6-Anhydro-L-galactose

3,6-Anhydro-L-galactose

C6H10O5 (162.0528)


   

2-deoxy-D-glucono-1,5-lactone

2-deoxy-D-glucono-1,5-lactone

C6H10O5 (162.0528)


   

(2R)-2-acetamido-3-sulfanylpropanamide

(2R)-2-acetamido-3-sulfanylpropanamide

C5H10N2O2S (162.0463)


   

6-Deoxy-L-galactonolactone

6-Deoxy-L-galactonolactone

C6H10O5 (162.0528)


   

Streptose

Streptose

C6H10O5 (162.0528)


   

(R)-3-(Acetylthio)-2-methylpropionic acid

(R)-3-(Acetylthio)-2-methylpropionic acid

C6H10O3S (162.0351)


   

(2S)-2-Hydroxy-hexanedioic acid

(2S)-2-Hydroxy-hexanedioic acid

C6H10O5 (162.0528)


   

Difluoromethoxydifluoroacetic acid

Difluoromethoxydifluoroacetic acid

C3H2F4O3 (161.994)


   

6-Hydroperoxy-6-oxohexanoic acid

6-Hydroperoxy-6-oxohexanoic acid

C6H10O5 (162.0528)


   

3,3-Oxydipropanoic acid

3,3-Oxydipropanoic acid

C6H10O5 (162.0528)


   

3-(Prop-2-ene-1-sulfinyl)-propene-1-thiol

3-(Prop-2-ene-1-sulfinyl)-propene-1-thiol

C6H10OS2 (162.0173)


   

4,5-Dihydroxy-tetrahydro-pyran-2-carboxylic acid

4,5-Dihydroxy-tetrahydro-pyran-2-carboxylic acid

C6H10O5 (162.0528)


   

Benzouracil

InChI=1\C8H6N2O2\c11-7-5-3-1-2-4-6(5)9-8(12)10-7\h1-4H,(H2,9,10,11,12

C8H6N2O2 (162.0429)


Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1].

   

Skimmetin

InChI=1\C9H6O3\c10-7-3-1-6-2-4-9(11)12-8(6)5-7\h1-5,10

C9H6O3 (162.0317)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent. Umbelliferone (7-Hydroxycoumarin), a natural product of the coumarin family, is a fluorescing compound which can be used as a sunscreen agent.

   

2060-59-5

Tridec-1-ene-3,5,7,9,11-pentayne

C13H6 (162.0469)


   

6093-67-0

2H-1-Benzopyran-2-one, 5-hydroxy-

C9H6O3 (162.0317)


   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


S-1-propenyl 2-propenesulfinothioate is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). S-1-propenyl 2-propenesulfinothioate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). S-1-propenyl 2-propenesulfinothioate can be found in onion-family vegetables, which makes S-1-propenyl 2-propenesulfinothioate a potential biomarker for the consumption of this food product. S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.

   

R-1-Propenyl 2-propenesulfinothioate

(1Z)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


R-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. R-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables.

   

Glucosan

Levoglucosan

C6H10O5 (162.0528)


Glucosan is a monosaccharide anhydride compound present in biomass combustion smoke, and is a tracer for biomass burning sources in atmospheric aerosol particles. A product of cellulose combustion; when cellulose is heated to over 300 degree centigrade, it undergoes various pyrolytic processes, yielding a highly combustible tar, a major constituent of which is glucosan, a dehydrated glucose containing a ketal functional group.; Glucosan is a saccharide constituent of human urine, detected with one-dimensional thin-layer chromatography, and further studied by gas chromatography-mass spectrometry. It was identified in approximately 20\\\% of all urine samples investigated. Excretory levels varied widely from zero up to 5.3 mmol/l. (PMID: 3757263, 16448658, 16317539). Glucosan is found in sweet orange. Levoglucosan (1,6-Anhydro-β-D-glucopyranose) is an anhydrosugar produced through glucan pyrolysis and is widely found in nature[1].

   

1-(Methylsulfanyl)-1-oxopropan-2-yl acetate

1-(Methylsulphanyl)-1-oxopropan-2-yl acetic acid

C6H10O3S (162.0351)


1-(Methylsulfanyl)-1-oxopropan-2-yl acetate is a flavour enhancer, e.g. for strawberry flavour Flavour enhancer, e.g. for strawberry flavour

   

thiosulfinate

thiosulfinate

C6H10OS2 (162.0173)


   

Erythro-4-hydroxy-L-glutamate(1-)

Erythro-4-hydroxy-L-glutamate(1-)

C5H8NO5- (162.0402)


A dicarboxylic acid monoanion obtained by deprotonation of the carboxy groups and protonation of the amino group of erythro-4-hydroxy-L-glutamic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-hydroxy-L-glutamate(1-)

4-hydroxy-L-glutamate(1-)

C5H8NO5- (162.0402)


An L-alpha-amino acid anion resulting from deprotonation of the carboxy groups and protonation of the amino group of 4-hydroxy-L-glutamic acid

   

(2R)-2-acetamido-3-sulfanylpropanoate

(2R)-2-acetamido-3-sulfanylpropanoate

C5H8NO3S- (162.0225)


   

(R)-3-hydroxy-L-glutamate

(R)-3-hydroxy-L-glutamate

C5H8NO5- (162.0402)


   

2-Mercaptoglutarate

2-Mercaptoglutarate

C5H6O4S-2 (161.9987)


   

Ethylthioacetoacetate

Ethylthioacetoacetate

C6H10O3S (162.0351)


   

threo-4-hydroxy-L-glutamate

threo-4-hydroxy-L-glutamate

C5H8NO5- (162.0402)


   

3-hydroxy-L-glutamate(1-)

3-hydroxy-L-glutamate(1-)

C5H8NO5- (162.0402)


An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups and protonation of the amino group of 3-hydroxy-L-glutamic acid.

   

3-(chloromethyl)-5,5-dimethyldihydrofuran-2(3H)-one

3-(chloromethyl)-5,5-dimethyldihydrofuran-2(3H)-one

C7H11ClO2 (162.0448)


   

3-[[Carboxylato(hydroxy)methyl]azaniumyl]propanoate

3-[[Carboxylato(hydroxy)methyl]azaniumyl]propanoate

C5H8NO5- (162.0402)


   

2-Chloro-3-methyl-3-butenyl acetate

2-Chloro-3-methyl-3-butenyl acetate

C7H11ClO2 (162.0448)


   
   

1-Tridecene-3,5,7,9,11-pentayne

Tridec-1-ene-3,5,7,9,11-pentayne

C13H6 (162.0469)


A pentayne that is tridecane which carries a double bond at position 1 and triple bonds at positions 3,5,7,9 and 11. It is a natural product which exhibits ovicidal and nematicidal activities.

   

4-Hydroxy-2-oxoglutaric acid

4-Hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


An oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively.

   

5-methylthio-2-oxopentanoic acid

5-methylthio-2-oxopentanoic acid

C6H10O3S (162.0351)


   

D-4-Hydroxy-2-oxoglutarate

D-4-Hydroxy-2-oxoglutarate

C5H6O6 (162.0164)


   

1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one

1,2-Dihydroxy-5-(methylsulfanyl)pent-1-en-3-one

C6H10O3S (162.0351)


   

S-Methyl N-(methylcarbamoyloxy)thioacetimidate

S-Methyl N-(methylcarbamoyloxy)thioacetimidate

C5H10N2O2S (162.0463)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

   

N-Nitrosothiazolidine-4-carboxylic acid

N-Nitrosothiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


   

S-Methyl 2-(acetyloxy)propanethioate

S-Methyl 2-(acetyloxy)propanethioate

C6H10O3S (162.0351)


   

7-Hydroxy-4-benzopyrone

7-hydroxy-4H-chromen-4-one

C9H6O3 (162.0317)


7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM. 7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM.

   

Quindoxin

Quinoxaline,1,4-dioxide

C8H6N2O2 (162.0429)


C254 - Anti-Infective Agent > C258 - Antibiotic

   

2H-1-Benzopyran-2-one, 5-hydroxy-

2H-1-Benzopyran-2-one, 5-hydroxy-

C9H6O3 (162.0317)


   

N-acetyl-L-cysteinate

N-acetyl-L-cysteinate

C5H8NO3S (162.0225)


A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

D-4-Hydroxy-2-oxoglutaric acid

D-4-Hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


A 4-hydroxy-2-oxoglutaric acid having D-configuration.

   

Hydroxyoxoglutaric acid

Hydroxyoxoglutaric acid

C5H6O6 (162.0164)


   

Tridecenepentayne

Tridecenepentayne

C13H6 (162.0469)


   

Dihydroxyketomethylthiopentene

Dihydroxyketomethylthiopentene

C6H10O3S (162.0351)


   

(11e)-tridec-11-en-1,3,5,7,9-pentayne

(11e)-tridec-11-en-1,3,5,7,9-pentayne

C13H6 (162.0469)


   

5-(thiophen-2-yl)pent-2-en-4-ynal

5-(thiophen-2-yl)pent-2-en-4-ynal

C9H6OS (162.0139)


   

(1r,2s,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

(1r,2s,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

1-allyl propenyl thiosulfinate

NA

C6H10OS2 (162.0173)


{"Ingredient_id": "HBIN002264","Ingredient_name": "1-allyl propenyl thiosulfinate","Alias": "NA","Ingredient_formula": "C6H10OS2","Ingredient_Smile": "C=CCSS(=O)CC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34844","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1e)-1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

(1e)-1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

(4z)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

(4z)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

C6H10OS2 (162.0173)


   

(4e)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

(4e)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

C6H10OS2 (162.0173)


   

3-{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}prop-1-ene

3-{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

(1r,2r,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

(1r,2r,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

tridec-11-en-1,3,5,7,9-pentayne

tridec-11-en-1,3,5,7,9-pentayne

C13H6 (162.0469)


   

(1e)-1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]prop-1-ene

(1e)-1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

quinazoline-4,8-diol

quinazoline-4,8-diol

C8H6N2O2 (162.0429)


   

5-(methylsulfanyl)-2-oxopentanoic acid

5-(methylsulfanyl)-2-oxopentanoic acid

C6H10O3S (162.0351)


   

2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynal

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynal

C9H6OS (162.0139)