Exact Mass: 180.0311

Exact Mass Matches: 180.0311

Found 500 metabolites which its exact mass value is equals to given mass value 180.0311, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Caffeic acid

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

C9H8O4 (180.0423)


Caffeic acid is a hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common. It has a role as a plant metabolite, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antioxidant and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a hydroxycinnamic acid and a member of catechols. Caffeic Acid is a natural product found in Pavetta indica, Eupatorium cannabinum, and other organisms with data available. Caffeic Acid is an orally bioavailable, hydroxycinnamic acid derivative and polyphenol, with potential anti-oxidant, anti-inflammatory, and antineoplastic activities. Upon administration, caffeic acid acts as an antioxidant and prevents oxidative stress, thereby preventing DNA damage induced by free radicals. Caffeic acid targets and inhibits the histone demethylase (HDM) oncoprotein gene amplified in squamous cell carcinoma 1 (GASC1; JMJD2C; KDM4C) and inhibits cancer cell proliferation. GASC1, a member of the KDM4 subgroup of Jumonji (Jmj) domain-containing proteins, demethylates trimethylated lysine 9 and lysine 36 on histone H3 (H3K9 and H3K36), and plays a key role in tumor cell development. Caffeic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Black Cohosh (part of); Arctium lappa Root (part of); Comfrey Leaf (part of) ... View More ... 3,4-Dihydroxy-trans-cinnamate, also known as trans-Caffeate, is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food (PMID:16870009). trans-Caffeic acid is found in many foods, some of which are flaxseed, cereal and cereal products, common grape, fruits, and common sage. It is also found in wine and coffee in free and conjugated forms. Caffeic acid (CAS: 331-39-5) is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food (PMID:16870009). Caffeic acid has been found to be a microbial metabolite of Escherichia (PMID: 28396925). Caffeic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=331-39-5 (retrieved 2024-06-28) (CAS RN: 331-39-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

   

4-Hydroxyphenylpyruvic acid

4-Hydroxy-alpha-oxobenzenepropanoic acid

C9H8O4 (180.0423)


3-(4-hydroxy-phenyl)pyruvic acid, also known as 4-hydroxy a-oxobenzenepropanoate or 3-(p-hydroxyphenyl)-2-oxopropanoate, belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 3-(4-hydroxy-phenyl)pyruvic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3-(4-hydroxy-phenyl)pyruvic acid can be synthesized from pyruvic acid. 3-(4-hydroxy-phenyl)pyruvic acid can also be synthesized into 4-hydroxyphenylpyruvic acid oxime. 3-(4-hydroxy-phenyl)pyruvic acid can be found in a number of food items such as garden onion (variety), rose hip, sourdough, and horseradish tree, which makes 3-(4-hydroxy-phenyl)pyruvic acid a potential biomarker for the consumption of these food products. 3-(4-hydroxy-phenyl)pyruvic acid can be found primarily in blood and urine, as well as in human prostate tissue. 3-(4-hydroxy-phenyl)pyruvic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 3-(4-hydroxy-phenyl)pyruvic acid is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, and tyrosine metabolism. 3-(4-hydroxy-phenyl)pyruvic acid is also involved in several metabolic disorders, some of which include tyrosinemia type I, phenylketonuria, tyrosinemia, transient, of the newborn, and alkaptonuria. Moreover, 3-(4-hydroxy-phenyl)pyruvic acid is found to be associated with hawkinsinuria and phenylketonuria. 4-Hydroxyphenylpyruvic acid (4-HPPA) is a keto acid that is involved in the tyrosine catabolism pathway. It is a product of the enzyme (R)-4-hydroxyphenyllactate dehydrogenase (EC 1.1.1.222) and is formed during tyrosine metabolism. The conversion from tyrosine to 4-HPPA is catalyzed by tyrosine aminotransferase. Additionally, 4-HPPA can be converted to homogentisic acid which is one of the precursors to ochronotic pigment. The enzyme 4-hydroxyphenylpyruvic acid dioxygenase (HPD) catalyzes the reaction that converts 4-hydroxyphenylpyruvic acid to homogentisic acid. A deficiency in the catalytic activity of HPD is known to lead to tyrosinemia type III, an autosomal recessive disorder characterized by elevated levels of blood tyrosine and massive excretion of tyrosine derivatives into urine. It has been shown that hawkinsinuria, an autosomal dominant disorder characterized by the excretion of hawkinsin, may also be a result of HPD deficiency (PMID: 11073718). Moreover, 4-hydroxyphenylpyruvic acid is also found to be associated in phenylketonuria, which is also an inborn error of metabolism. There are two isomers of HPPA, specifically 4HPPA and 3HPPA, of which 4HPPA is the most common. 4-HPPA has been found to be a microbial metabolite in Escherichia (ECMDB). KEIO_ID H007 4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine. 4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine.

   

Aspirin

2-Acetoxybenzenecarboxylic acid

C9H8O4 (180.0423)


Aspirin is only found in individuals who have consumed this drug. Aspirin or acetylsalicylic acid (acetosal) is a drug in the family of salicylates, often used as an analgesic (against minor pains and aches), antipyretic (against fever), and anti-inflammatory. It has also an anticoagulant effect and is used in long-term low-doses to prevent heart attacks and cancer. It was isolated from meadowsweet (Filipendula ulmaria, formerly classified as Spiraea ulmaria) by German researchers in 1839. While their extract was somewhat effective, it also caused digestive problems such as irritated stomach and diarrhoea, and even death when consumed in high doses. In 1853, a French chemist named Charles Frederic Gerhardt neutralized salicylic acid by buffering it with sodium (sodium salicylate) and acetyl chloride, creating acetosalicylic anhydride. Gerhardts product worked, but he had no desire to market it and abandoned his discovery. In 1897, researcher Arthur Eichengrun and Felix Hoffmann, a research assistant at Friedrich Bayer & Co. in Germany, derivatized one of the hydroxyl functional groups in salicylic acid with an acetyl group (forming the acetyl ester), which greatly reduced the negative effects. This was the first synthetic drug, not a copy of something that existed in nature, and the start of the pharmaceuticals industry. The name aspirin is composed of a- (from the acetyl group) -spir- (from the plant genus Spiraea) and -in (a common ending for drugs at the time). It has also been stated that the name originated by another means. As referring to AcetylSalicylic and pir in reference to one of the scientists who was able to isolate it in crystalline form, Raffaele Piria. Finally in due to the same reasons as stated above. Salicylic acid (which is a naturally occurring substance found in many plants) can be acetylated using acetic anhydride, yielding aspirin and acetic acid as a byproduct. It is a common experiment performed in organic chemistry labs, and generally tends to produce low yields due to the relative difficulty of its extraction from an aqueous state. The trick to getting the reaction to work is to acidify with phosphoric acid and heat the reagents under reflux with a boiling water bath for between 40 minutes and an hour. Aspirin acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors Constituent of Glycyrrhiza glabra variety typica (licorice) roots. Acetylsalicylic acid is found in herbs and spices. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor > C287 - Aspirin D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3578 D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors D058633 - Antipyretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid

(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid

C9H8O4 (180.0423)


(2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid, also known as trans-2,3-dihydroxycinnamate or (2e)-3-(2,3-dihydroxyphenyl)acrylate, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated (2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). (2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid exists in all living organisms, ranging from bacteria to humans. Identified in Anthemis nobilis (Roman chamomile

   

5-Methylthioribose

(2R,3R,4S,5S)-5-[(methylsulfanyl)methyl]oxolane-2,3,4-triol

C6H12O4S (180.0456)


5-Methylthioribose (CAS: 23656-67-9) belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 5-Methylthioribose is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-Methylthioribose exists in all living organisms, ranging from bacteria to humans. In humans, 5-methylthioribose is involved in the metabolic disorder called hypermethioninemia. Outside of the human body, 5-methylthioribose has been detected, but not quantified in, several different foods, such as alaska wild rhubarbs, common verbena, greenthread tea, pasta, and Irish moss. This could make 5-methylthioribose a potential biomarker for the consumption of these foods. 5-Methylthioribose is a metabolite of 5-methylthioribose-1-phosphate. It is a substrate of methylthioribose kinase (EC 2.7.1.100) in the methionine metabolism pathway (KEGG). It can be found in Escherichia (PMID: 4203512). 5-Methylthioribose is a metabolite of 5-methylthioribose-1-phosphate. It is a substrate of methylthioribose kinase [EC 2.7.1.100] in the methionine metabolism pathway (KEGG). [HMDB]. 5-Methylthioribose is found in many foods, some of which are persian lime, wild rice, brussel sprouts, and cabbage.

   

2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid

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

C9H8O4 (180.0423)


2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid is an intermediate in tyrosine metabolism. It is reversibly converted from 4-hydroxyphenylpyruvate via phenylpyruvate tautomerase. 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid is typically a terminal product of tyrosine metabolism. [HMDB] 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid is an intermediate in tyrosine metabolism. It is reversibly converted from 4-hydroxyphenylpyruvate via phenylpyruvate tautomerase. 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid is typically a terminal product of tyrosine metabolism.

   

6-Ethylmercaptopurine

9H-Purine,6-(ethylthio)-

C7H8N4S (180.047)


   

3-(3-hydroxyphenyl)-2-oxopropanoic acid

3-(3-hydroxyphenyl)-2-oxopropanoic acid

C9H8O4 (180.0423)


   

Monomethyl phthalate

1,2-Benzenedicarboxylic acid monomethyl ester

C9H8O4 (180.0423)


Monomethyl phthalate is a metabolite, or breakdown product, of dimethyl phthalate, used in insect repellant, plastic, and as a rocket propellant (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100365). [HMDB] Monomethyl phthalate is a metabolite, or breakdown product, of dimethyl phthalate, used in insect repellant, plastic, and as a rocket propellant. Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1]. Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].

   

3-(2,4-Dihydroxyphenyl)acrylic acid

3-(2,4-Dihydroxyphenyl)acrylic acid

C9H8O4 (180.0423)


   

3-Hydroxyphenylpyruvic acid

3-(3-hydroxyphenyl)-2-oxopropanoic acid

C9H8O4 (180.0423)


3-Hydroxyphenylpyruvic acid is a keto acid intermediate derived from m-Tyrosine. m-Tyrosine has the ability to cross the blood-brain barrier and is decarboxylated to m-tyramine which stimulates dopamine receptors. [HMDB] 3-Hydroxyphenylpyruvic acid is a keto acid intermediate derived from m-Tyrosine. m-Tyrosine has the ability to cross the blood-brain barrier and is decarboxylated to m-tyramine which stimulates dopamine receptors.

   

2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-

2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-

C9H8O4 (180.0423)


   

3,5-Dihydroxycinnamic acid

(2E)-3-(3,5-Dihydroxyphenyl)-2-propenoic acid

C9H8O4 (180.0423)


3,5-Dihydroxycinnamic acid (DHA) (CAS: 28374-93-8) is found in fruits. It can be isolated from peach buds. BioTransformer predicts that 3,5-dihydroxycinnamic acid is a product of 3,​4,​5-​trihydroxycinnamic acid metabolism via a -4p-dehydroxylation-of-substituted-benzene reaction occurring in human gut microbiota and catalyzed by a dehydroxylase enzyme (PMID: 30612223). 3,5-Dihydroxycinnamic acid is an alkylresorcinol metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 28444884).

   

cis-Caffeic acid

(2Z)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid

C9H8O4 (180.0423)


Caffeic acid, also known as caffeate, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Caffeic acid exists in all living species, ranging from bacteria to humans. It is the precursor to ferulic acid, coniferyl alcohol, and sinapyl alcohol, all of which are significant building blocks in lignin. Outside of the human body, caffeic acid has been detected, but not quantified in fats and oils and nuts. Caffeic acid is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Caffeic acid has a variety of potential pharmacological effects in in vitro studies and in animal models, and the inhibitory effect of caffeic acid on cancer cell proliferation by an oxidative mechanism in the human HT-1080 fibrosarcoma cell line has recently been established. It occurs at high levels in black chokeberry (141 mg per 100 g) and in fairly high level in lingonberry (6 mg per 100 g). D020011 - Protective Agents > D000975 - Antioxidants Found in olive oil, peanuts and other plant sources Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

   

2,4,6-Trimethyl-1,3,5-trithiane

(2alpha,4alpha,6alpha)-2,4,6-Trimethyl-1,3,5-trithiane

C6H12S3 (180.0101)


Modifier for blackcurrant flavou

   

1-(Methylthio)ethyl 2-propenyl disulfide

3-{[1-(methylsulphanyl)ethyl]disulphanyl}prop-1-ene

C6H12S3 (180.0101)


1-(Methylthio)ethyl 2-propenyl disulfide is found in onion-family vegetables. 1-(Methylthio)ethyl 2-propenyl disulfide is a constituent of the essential oil of Allium tuberosum (Chinese chives)

   

2,5-Dimethyl-1,4-dithiane-2,5-diol

2,5-Dimethyl-2, 5-dihydroxy-1,4-dithiane

C6H12O2S2 (180.0279)


2,5-Dimethyl-1,4-dithiane-2,5-diol is a flavouring ingredient. Flavouring ingredient

   

Ethyl 2-(methyldithio)propionate

Propanoic acid, 2-(methyldithio)-, ethyl ester

C6H12O2S2 (180.0279)


Ethyl 2-(methyldithio)propionate is a flavouring agent for baked goods and seasonings. Flavouring agent for baked goods and seasonings

   

(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid

(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid

C5H9ClN2O3 (180.0302)


   

2,4-Bis(methylthio)butyric acid

2,4-Bis(methylsulphanyl)butanoic acid

C6H12O2S2 (180.0279)


   

Propyl allyl trisulfide

1-(Prop-2-en-1-yl)-3-propyltrisulphane

C6H12S3 (180.0101)


Propyl allyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Propyl allyl trisulfide can be found in soft-necked garlic, which makes propyl allyl trisulfide a potential biomarker for the consumption of this food product.

   

cis-3,5-Diethyl-1,2,4-trithiolane

(3R,5S)-3,5-diethyl-1,2,4-trithiolane

C6H12S3 (180.0101)


Cis-3,5-diethyl-1,2,4-trithiolane is a member of the class of compounds known as trithiolanes. Trithiolanes are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and two carbon atoms. Cis-3,5-diethyl-1,2,4-trithiolane can be found in garden onion, which makes cis-3,5-diethyl-1,2,4-trithiolane a potential biomarker for the consumption of this food product.

   

cis-Propenyl propyl trisulfide

1-[(1Z)-Prop-1-en-1-yl]-3-propyltrisulphane

C6H12S3 (180.0101)


Cis-propenyl propyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Cis-propenyl propyl trisulfide can be found in garden onion, which makes cis-propenyl propyl trisulfide a potential biomarker for the consumption of this food product.

   

trans-Propenyl propyl trisulfide

1-[(1E)-Prop-1-en-1-yl]-3-propyltrisulphane

C6H12S3 (180.0101)


Trans-propenyl propyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Trans-propenyl propyl trisulfide can be found in garden onion, which makes trans-propenyl propyl trisulfide a potential biomarker for the consumption of this food product.

   

trans-3,5-Diethyl-1,2,4,-trithiolane

(3R,5R)-3,5-diethyl-1,2,4-trithiolane

C6H12S3 (180.0101)


Trans-3,5-diethyl-1,2,4,-trithiolane can be found in garden onion, which makes trans-3,5-diethyl-1,2,4,-trithiolane a potential biomarker for the consumption of this food product.

   

(+/-)-cis- and trans-3,5-Diethyl-1,2,4-trithiolane

(+/-)-cis- and trans-3,5-Diethyl-1,2,4-trithiolane

C6H12S3 (180.0101)


(+/-)-cis- and trans-3,5-diethyl-1,2,4-trithiolane is a member of the class of compounds known as trithiolanes. Trithiolanes are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and two carbon atoms (+/-)-cis- and trans-3,5-diethyl-1,2,4-trithiolane is a sulfurous tasting compound found in chives and soft-necked garlic, which makes (+/-)-cis- and trans-3,5-diethyl-1,2,4-trithiolane a potential biomarker for the consumption of these food products.

   

5-Acetylsalicylic

5-Acetylsalicylic acid, AldrichCPR

C9H8O4 (180.0423)


5-Acetylsalicylic acid is an aromatic ketone.

   

cis-2,4-Dihydroxycinnamic acid

cis-2,4-Dihydroxycinnamic acid

C9H8O4 (180.0423)


   

Cordytropolone

Cordytropolone

C9H8O4 (180.0423)


   

m-Hydroxyphenylpyruvic acid

m-Hydroxyphenylpyruvic acid

C9H8O4 (180.0423)


   

4-hydroxyphenyl pyruvate

4-hydroxyphenyl pyruvic acid

C9H8O4 (180.0423)


4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine. 4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine.

   

pentaric acid

pentaric acid

C5H8O7 (180.027)


   

5,7-dihydroxy-4-methylphthalide

5,7-Dihydroxy-4-methyl-2-benzofuran-1(3H)-one

C9H8O4 (180.0423)


A member of the class of 2-benzofurans that is 1,3-dihydro-2-benzofuran substituted by oxo, methyl, hydroxy and hydroxy groups at positions 1,4,5, and 7, respectively. It is a natural product found in several genera of fungi including Eurotium repens.

   

1,4-Benzodioxan-5-carboxylic acid

1,4-Benzodioxan-5-carboxylic acid

C9H8O4 (180.0423)


   

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one

4,6-Dimethylisothiazolo[5,4-b]pyridin-3(2H)-one

C8H8N2OS (180.0357)


   

5780-07-4

5780-07-4

C9H8O4 (180.0423)


   

Homophthalic acid

Homophthalic acid

C9H8O4 (180.0423)


   

5-hydroxy-7-methoxyphthalide

5-hydroxy-7-methoxyphthalide

C9H8O4 (180.0423)


   

4-(Methoxycarbonyl)benzoic acid

4-(Methoxycarbonyl)benzoic acid

C9H8O4 (180.0423)


   

8-Methylen-3,4-dihydro-2H,8H-furo[3,4-b]oxepin-5,6-dion|8-methylene-3,4-dihydro-2H,8H-furo[3,4-b]oxepin-5,6-dione|8-methylene-3,4-dihydro-2H,8H-furo[3,4-b]oxepine-5,6-dione

8-Methylen-3,4-dihydro-2H,8H-furo[3,4-b]oxepin-5,6-dion|8-methylene-3,4-dihydro-2H,8H-furo[3,4-b]oxepin-5,6-dione|8-methylene-3,4-dihydro-2H,8H-furo[3,4-b]oxepine-5,6-dione

C9H8O4 (180.0423)


   

3-(4-hydroxyphenyl)-3-oxopropanoic acid

3-(4-hydroxyphenyl)-3-oxopropanoic acid

C9H8O4 (180.0423)


   

2,4,6(3H)-Pteridinetrione, 1,5-dihydro-

2,4,6(3H)-Pteridinetrione, 1,5-dihydro-

C6H4N4O3 (180.0283)


   

6-Methoxy-1,3-benzodioxole-5-carbaldehyde

6-Methoxy-1,3-benzodioxole-5-carbaldehyde

C9H8O4 (180.0423)


   

4-Hydroxy-5-methoxyisophthalaldehyde

4-Hydroxy-5-methoxyisophthalaldehyde

C9H8O4 (180.0423)


   

4-ACETOXYBENZOIC ACID

4-ACETOXYBENZOIC ACID

C9H8O4 (180.0423)


   

3-(2-Methylpropyl)-1,2,4-trithiolane

3-(2-Methylpropyl)-1,2,4-trithiolane

C6H12S3 (180.0101)


   

2-Formyl-3-methoxybenzoic acid

2-Formyl-3-methoxybenzoic acid

C9H8O4 (180.0423)


   

3-(2-hydroxyphenyl)-2-oxopropanoic acid

3-(2-hydroxyphenyl)-2-oxopropanoic acid

C9H8O4 (180.0423)


   

1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-

1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-

C9H8O4 (180.0423)


   

Dehydrocarolic acid|dihydrocarolic acid

Dehydrocarolic acid|dihydrocarolic acid

C9H8O4 (180.0423)


   

2-(4-methoxyphenyl)-2-oxoacetic acid

2-(4-methoxyphenyl)-2-oxoacetic acid

C9H8O4 (180.0423)


   

3-(2,6-dihydroxyphenyl)prop-2-enoic acid

3-(2,6-dihydroxyphenyl)prop-2-enoic acid

C9H8O4 (180.0423)


   

4,6-dihydroxy-5-methylphthalide

4,6-dihydroxy-5-methylphthalide

C9H8O4 (180.0423)


   

2,2,6-trihydroxychromene

2,2,6-trihydroxychromene

C9H8O4 (180.0423)


   

(S)-3,7-dihydroxychroman-4-one

(S)-3,7-dihydroxychroman-4-one

C9H8O4 (180.0423)


A natural product found in Caesalpinia sappan.

   

methyl 2-(4-hydroxyphenyl)-2-oxoacetate

methyl 2-(4-hydroxyphenyl)-2-oxoacetate

C9H8O4 (180.0423)


   

6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one

6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one

C9H8O4 (180.0423)


   

5,7-Dihydroxy-6-methylphthalide

5,7-Dihydroxy-6-methylphthalide

C9H8O4 (180.0423)


   

methyl 2-formyl-6-hydroxybenzoate

methyl 2-formyl-6-hydroxybenzoate

C9H8O4 (180.0423)


   

2-formyl-6-methoxybenzoic acid

2-formyl-6-methoxybenzoic acid

C9H8O4 (180.0423)


   

Benzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl ester

Benzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl ester

C9H8O4 (180.0423)


   

6-Hydroxy-7-methoxyphthalide

6-Hydroxy-7-methoxyphthalide

C9H8O4 (180.0423)


   

Methyl piperonylate

Methyl 1,3-benzodioxole-5-carboxylate

C9H8O4 (180.0423)


   

6-methoxy-1,3-benzodioxole-4-carbaldehyde

6-methoxy-1,3-benzodioxole-4-carbaldehyde

C9H8O4 (180.0423)


   

Violapterin

Violapterin

C6H4N4O3 (180.0283)


   

methyl 2-formyl-3-hydroxybenzoate

methyl 2-formyl-3-hydroxybenzoate

C9H8O4 (180.0423)


   

7-Hydroxy-6-methoxyphthalide

7-Hydroxy-6-methoxyphthalide

C9H8O4 (180.0423)


   

3-Acetoxybenzoic acid

3-Acetoxybenzoic acid

C9H8O4 (180.0423)


   

1-(3-hydroxy-5-prop-1-ynyl-thiophen-2-yl)-ethanone|2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene|3-Hydroxy-5-propin-(1)-yl-2-acetyl-thiophen

1-(3-hydroxy-5-prop-1-ynyl-thiophen-2-yl)-ethanone|2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene|3-Hydroxy-5-propin-(1)-yl-2-acetyl-thiophen

C9H8O2S (180.0245)


   

2-formyl-3-hydroxybenzyl formate

2-formyl-3-hydroxybenzyl formate

C9H8O4 (180.0423)


   

Benzoylthiourea

Benzoylthiourea

C8H8N2OS (180.0357)


   

2,4-dihydrozy-2H-1,4-benzoxazin-3(4H)-one

2,4-dihydrozy-2H-1,4-benzoxazin-3(4H)-one

C8H6NO4- (180.0297)


   

Caffeate

(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

C9H8O4 (180.0423)


D020011 - Protective Agents > D000975 - Antioxidants KEIO_ID C107 Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

   

Caffeic Acid

3,4-dihydroxy cinnamic acid

C9H8O4 (180.0423)


A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common. 3,4-dihydroxycinnamic acid, also known as caffeic acid or trans-caffeate, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. 3,4-dihydroxycinnamic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxycinnamic acid can be found in fats and oils and nuts, which makes 3,4-dihydroxycinnamic acid a potential biomarker for the consumption of these food products. 3,4-dihydroxycinnamic acid exists in all eukaryotes, ranging from yeast to humans. Caffeic acid is an organic compound that is classified as a hydroxycinnamic acid. This yellow solid consists of both phenolic and acrylic functional groups. It is found in all plants because it is a key intermediate in the biosynthesis of lignin, one of the principal components of plant biomass and its residues . Caffeic acid is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food. (PMID:16870009) [HMDB]. Caffeic acid is found in many foods, some of which are cardoon, coriander, common persimmon, and irish moss. D020011 - Protective Agents > D000975 - Antioxidants Annotation level-2 CONFIDENCE standard compound; INTERNAL_ID 167 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.412 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.403 Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

   

4-Hydroxyphenylpyruvic acid

4-Hydroxyphenylpyruvic acid

C9H8O4 (180.0423)


A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. 4-Hydroxyphenylpyruvic acid (4-HPPA) is a keto acid. It is a product of the enzyme (R)-4-hydroxyphenyllactate dehydrogenase [EC 1.1.1.222] and is formed during tyrosine metabolism (KEGG). There are two isomers of HPPA, specifically 4HPPA and 3HPPA, of which 4HPPA is the most common. The enzyme 4-hydroxyphenylpyruvic acid dioxygenase (HPD) catalyzes the reaction of 4-hydroxyphenylpyruvic acid to homogentisic acid in the tyrosine catabolism pathway. A deficiency in the catalytic activity of HPD is known to lead to tyrosinemia type III, an autosomal recessive disorder characterized by elevated levels of blood tyrosine and massive excretion of tyrosine derivatives into urine. It has been shown that hawkinsinuria, an autosomal dominant disorder characterized by the excretion of hawkinsin, may also be a result of HPD deficiency (PMID: 11073718). [HMDB] 4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine. 4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine.

   

3-hydroxy-7-methoxy-3H-2-benzofuran-1-one

NCGC00381343-01!3-hydroxy-7-methoxy-3H-2-benzofuran-1-one

C9H8O4 (180.0423)


   

aspirin

Acetylsaliycilic acid

C9H8O4 (180.0423)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor > C287 - Aspirin D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors D058633 - Antipyretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 112

   

O-Acetylsalicylic acid

O-Acetylsalicylic acid

C9H8O4 (180.0423)


   

trans-caffeic acid

trans-caffeic acid

C9H8O4 (180.0423)


Annotation level-1

   

cis-caffeic acid

cis-caffeic acid

C9H8O4 (180.0423)


D020011 - Protective Agents > D000975 - Antioxidants The cis-isomer of caffeic acid.

   

Monomethyl phthalate

2-(Methoxycarbonyl)benzoic acid

C9H8O4 (180.0423)


CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3340; ORIGINAL_PRECURSOR_SCAN_NO 3338 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3339; ORIGINAL_PRECURSOR_SCAN_NO 3338 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3341; ORIGINAL_PRECURSOR_SCAN_NO 3339 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3330; ORIGINAL_PRECURSOR_SCAN_NO 3328 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3443; ORIGINAL_PRECURSOR_SCAN_NO 3442 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3367; ORIGINAL_PRECURSOR_SCAN_NO 3365 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9985; ORIGINAL_PRECURSOR_SCAN_NO 9984 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10013; ORIGINAL_PRECURSOR_SCAN_NO 10012 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10036; ORIGINAL_PRECURSOR_SCAN_NO 10033 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9424 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10033; ORIGINAL_PRECURSOR_SCAN_NO 10030 CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10076; ORIGINAL_PRECURSOR_SCAN_NO 10074 Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1]. Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].

   

2-Amino-6-methoxybenzothiazole

2-Amino-6-methoxybenzothiazole

C8H8N2OS (180.0357)


CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5827; ORIGINAL_PRECURSOR_SCAN_NO 5824 CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5838; ORIGINAL_PRECURSOR_SCAN_NO 5837 CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5858; ORIGINAL_PRECURSOR_SCAN_NO 5856 CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5841; ORIGINAL_PRECURSOR_SCAN_NO 5838 CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5855; ORIGINAL_PRECURSOR_SCAN_NO 5853 CONFIDENCE standard compound; INTERNAL_ID 1368; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5863; ORIGINAL_PRECURSOR_SCAN_NO 5862

   

Caffeic acid; LC-tDDA; CE10

Caffeic acid; LC-tDDA; CE10

C9H8O4 (180.0423)


   

Caffeic acid; LC-tDDA; CE20

Caffeic acid; LC-tDDA; CE20

C9H8O4 (180.0423)


   

Caffeic acid; LC-tDDA; CE30

Caffeic acid; LC-tDDA; CE30

C9H8O4 (180.0423)


   

Caffeic acid; LC-tDDA; CE40

Caffeic acid; LC-tDDA; CE40

C9H8O4 (180.0423)


   

3-(4-Hydroxyphenyl)pyruvic acid

3-(4-Hydroxyphenyl)pyruvic acid

C9H8O4 (180.0423)


   

Caffeic Acid_major

Caffeic Acid_major

C9H8O4 (180.0423)


   

Phenylmalonic acid

Phenylmalonic acid

C9H8O4 (180.0423)


   

Methyl phthalate

Monomethyl 1,2-benzenedicarboxylate

C9H8O4 (180.0423)


Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1]. Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].

   

5-Methylthioribose

5-Methylthioribose

C6H12O4S (180.0456)


   

Thioacetaldehyde

(2alpha,4alpha,6alpha)-2,4,6-Trimethyl-1,3,5-trithiane

C6H12S3 (180.0101)


   

Allyl 1-(methylthio)ethyl disulfide

3-{[1-(methylsulfanyl)ethyl]disulfanyl}prop-1-ene

C6H12S3 (180.0101)


   

3,5-Dihydroxycinnamic acid

(2Z)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid

C9H8O4 (180.0423)


   

UNII:N99176196Z

2,5-Dimethyl-2, 5-dihydroxy-1,4-dithiane

C6H12O2S2 (180.0279)


   

FEMA 3834

Propanoic acid, 2-(methyldithio)-, ethyl ester

C6H12O2S2 (180.0279)


   

N-Benzoylthiourea

N-Benzoylthiourea

C8H8N2OS (180.0357)


   

3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

3,5-DIHYDRO-7-NITRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

C6H4N4O3 (180.0283)


   

5-Formyl-2-methoxybenzoic Acid

5-Formyl-2-methoxybenzoic Acid

C9H8O4 (180.0423)


   

4-Chloro-2,6-dimethyl-1H-pyrrolo[3,2-c]pyridine

4-Chloro-2,6-dimethyl-1H-pyrrolo[3,2-c]pyridine

C9H9ClN2 (180.0454)


   

2-CHLORO-5,6-DIMETHYLBENZIMIDAZOLE

2-CHLORO-5,6-DIMETHYLBENZIMIDAZOLE

C9H9ClN2 (180.0454)


   

Acetyl benzoyl peroxide

Acetyl benzoyl peroxide

C9H8O4 (180.0423)


   

Ethynyl 4-methylphenyl sulfone

Ethynyl 4-methylphenyl sulfone

C9H8O2S (180.0245)


   

2,6-dihydroxy-3-nitrobenzonitrile

2,6-dihydroxy-3-nitrobenzonitrile

C7H4N2O4 (180.0171)


   

lithium,2,4-dioxo-1H-pyrimidine-6-carboxylate

lithium,2,4-dioxo-1H-pyrimidine-6-carboxylate

C5H5LiN2O5 (180.0359)


   

2,4-dihydroxycinnamic acid

2,4-dihydroxycinnamic acid

C9H8O4 (180.0423)


   

(5-THIEN-2-YLISOXAZOL-3-YL)METHYLAMINE

(5-THIEN-2-YLISOXAZOL-3-YL)METHYLAMINE

C8H8N2OS (180.0357)


   

benzofuroxan-5-carboxylic acid

benzofuroxan-5-carboxylic acid

C7H4N2O4 (180.0171)


   

6-METHOXY-BENZO[1,3]DIOXOLE-5-CARBALDEHYDE

6-METHOXY-BENZO[1,3]DIOXOLE-5-CARBALDEHYDE

C9H8O4 (180.0423)


   

1,4,7-Trithionane

1,4,7-Trithionane

C6H12S3 (180.0101)


   

1,3-Benzodioxole-5-acetic acid

1,3-Benzodioxol-5-ylacetic acid

C9H8O4 (180.0423)


   

5-(3-chlorophenyl)-1h-tetrazole

5-(3-chlorophenyl)-1h-tetrazole

C7H5ClN4 (180.0203)


   

2,5-Dihydroxycinnamic acid

2,5-Dihydroxycinnamic acid

C9H8O4 (180.0423)


   

tetrahydro-2H-pyran-4-yl methanesulfonate

tetrahydro-2H-pyran-4-yl methanesulfonate

C6H12O4S (180.0456)


   

CHEMBRDG-BB 4011816

CHEMBRDG-BB 4011816

C6H12O4S (180.0456)


   

5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid

5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid

C5H3F3N2O2 (180.0147)


   

4-Formylphenoxyacetic acid

4-Formylphenoxyacetic acid

C9H8O4 (180.0423)


   

4-Chloro-7-methyl-1-indanone

4-Chloro-7-methyl-1-indanone

C10H9ClO (180.0342)


   

[5-(2-Furyl)thien-2-yl]methanol

[5-(2-Furyl)thien-2-yl]methanol

C9H8O2S (180.0245)


   

1H-Benzimidazole,5-chloro-1,6-dimethyl-

1H-Benzimidazole,5-chloro-1,6-dimethyl-

C9H9ClN2 (180.0454)


   

3,4,5,6-tetrafluorobenzene-1,2-diamine

3,4,5,6-tetrafluorobenzene-1,2-diamine

C6H4F4N2 (180.0311)


   

2-Fluoro-6-(trifluoromethyl)phenol

2-Fluoro-6-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

5-(2-Chloroethyl)-1-benzofur

5-(2-Chloroethyl)-1-benzofur

C10H9ClO (180.0342)


   

1H-Benzimidazole,6-chloro-1,2-dimethyl-

1H-Benzimidazole,6-chloro-1,2-dimethyl-

C9H9ClN2 (180.0454)


   

3,3-difluorocyclobutane-1,1-dicarboxylic acid

3,3-difluorocyclobutane-1,1-dicarboxylic acid

C6H6F2O4 (180.0234)


   

2-chloro-1,5-dimethylbenzimidazole

2-chloro-1,5-dimethylbenzimidazole

C9H9ClN2 (180.0454)


   

1H-IMIDAZOLE, 4,5-DIHYDRO-2-(2-CHOLROPHENYL)-

1H-IMIDAZOLE, 4,5-DIHYDRO-2-(2-CHOLROPHENYL)-

C9H9ClN2 (180.0454)


   

2-trimethylsilylethyl carbonochloridate

2-trimethylsilylethyl carbonochloridate

C6H13ClO2Si (180.0373)


   

2,3,5,6-tetrafluorobenyl alcohol

2,3,5,6-tetrafluorobenyl alcohol

C7H4F4O (180.0198)


   

(3,5-difluorophenyl)hydrazine hydrochloride

(3,5-difluorophenyl)hydrazine hydrochloride

C6H7ClF2N2 (180.0266)


   

3,4-Difluorophenylhydrazine hydrochloride

3,4-Difluorophenylhydrazine hydrochloride

C6H7ClF2N2 (180.0266)


   

(2,4-Difluorophenyl)hydrazinium chloride

(2,4-Difluorophenyl)hydrazinium chloride

C6H7ClF2N2 (180.0266)


   

Cyclopropanecarbonylchloride, 2-phenyl-, (1R,2R)-rel-

Cyclopropanecarbonylchloride, 2-phenyl-, (1R,2R)-rel-

C10H9ClO (180.0342)


   

1-Cyclopropyl-4,4,4-trifluoro-1,3-butanedione

1-Cyclopropyl-4,4,4-trifluoro-1,3-butanedione

C7H7F3O2 (180.0398)


   

Mono-methyl isophthalate

Mono-methyl isophthalate

C9H8O4 (180.0423)


   

Propanenitrile,3-[(3-chlorophenyl)amino]-

Propanenitrile,3-[(3-chlorophenyl)amino]-

C9H9ClN2 (180.0454)


   

5,6-DIFLUORO-2-NAPHTHOL

5,6-DIFLUORO-2-NAPHTHOL

C10H6F2O (180.0387)


   

7,8-Difluoro-2-naphthol

7,8-Difluoro-2-naphthol

C10H6F2O (180.0387)


   

2,4-DIAMINE-6-METHYL-THIENO[3,2-D]PYRIMIDINE

2,4-DIAMINE-6-METHYL-THIENO[3,2-D]PYRIMIDINE

C7H8N4S (180.047)


   

(E)-3-phenylsulfanylprop-2-enoic acid

(E)-3-phenylsulfanylprop-2-enoic acid

C9H8O2S (180.0245)


   

4-Fluoro-3-(trifluoromethyl)phenol

4-Fluoro-3-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

2H-Tetrazole,5-(4-chlorophenyl)-

2H-Tetrazole,5-(4-chlorophenyl)-

C7H5ClN4 (180.0203)


   

2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid

2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid

C9H8O4 (180.0423)


   

5-Chloro-2-ethylbenzofuran

5-Chloro-2-ethylbenzofuran

C10H9ClO (180.0342)


   

1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanone

1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanone

C8H8N2OS (180.0357)


   

6-(Trifluoromethyl)Uracil

6-(Trifluoromethyl)Uracil

C5H3F3N2O2 (180.0147)


   

1-PHENYL-CYCLOPROPANECARBONYL CHLORIDE

1-PHENYL-CYCLOPROPANECARBONYL CHLORIDE

C10H9ClO (180.0342)


   

1(2H)-Naphthalenone,2-chloro-3,4-dihydro-

1(2H)-Naphthalenone,2-chloro-3,4-dihydro-

C10H9ClO (180.0342)


   

6-FLUOROBENZOFURAN-2-CARBOXYLIC ACID

6-FLUOROBENZOFURAN-2-CARBOXYLIC ACID

C9H5FO3 (180.0223)


   

5-Nitro-1,2-benzoxazol-3(2H)-one

5-Nitro-1,2-benzoxazol-3(2H)-one

C7H4N2O4 (180.0171)


   

3-Formyl-5-methoxybenzoic acid

3-Formyl-5-methoxybenzoic acid

C9H8O4 (180.0423)


   

ISOINDOLINE-4-CARBONITRILE HYDROCHLORIDE

ISOINDOLINE-4-CARBONITRILE HYDROCHLORIDE

C9H9ClN2 (180.0454)


   

2,6-Dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2,6-Dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C8H8N2OS (180.0357)


   

QUINOLIN-4-AMINE HYDROCHLORIDE

QUINOLIN-4-AMINE HYDROCHLORIDE

C9H9ClN2 (180.0454)


   

5-Fluoroquinazoline-2,4(1H,3H)-dione

5-Fluoroquinazoline-2,4(1H,3H)-dione

C8H5FN2O2 (180.0335)


   

4-methoxy-2-nitrobenzenediazonium

4-methoxy-2-nitrobenzenediazonium

C7H6N3O3+ (180.0409)


   

5,7-dihydroxy-3,4-dihydrochromen-2-one

5,7-dihydroxy-3,4-dihydrochromen-2-one

C9H8O4 (180.0423)


   

4-Fluoro-2-methyl-5-nitrobenzonitrile

4-Fluoro-2-methyl-5-nitrobenzonitrile

C8H5FN2O2 (180.0335)


   

5-CHLORO-2-TETRALONE

5-CHLORO-2-TETRALONE

C10H9ClO (180.0342)


   

8-Fluoroquinazoline-2,4(1H,3H)-dione

8-Fluoroquinazoline-2,4(1H,3H)-dione

C8H5FN2O2 (180.0335)


   

5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLHYDROSULFIDE

5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLHYDROSULFIDE

C7H8N4S (180.047)


   

5-chloro-1-phenyl-1H-tetrazole

5-chloro-1-phenyl-1H-tetrazole

C7H5ClN4 (180.0203)


   

6-Nitro-3H-benzooxazol-2-one

6-Nitro-3H-benzooxazol-2-one

C7H4N2O4 (180.0171)


   

Benzene-1,4-diammonium chloride

Benzene-1,4-diammonium chloride

C6H10Cl2N2 (180.0221)


   

2-[Chloro(dimethyl)silyl]ethyl acetate

2-[Chloro(dimethyl)silyl]ethyl acetate

C6H13ClO2Si (180.0373)


   

6-Quinolinamine hydrochloride (1:1)

6-Quinolinamine hydrochloride (1:1)

C9H9ClN2 (180.0454)


   

5-Quinolinamine hydrochloride (1:1)

5-Quinolinamine hydrochloride (1:1)

C9H9ClN2 (180.0454)


   

3-CHLORO-6-(1H-IMIDAZOL-1-YL)PYRIDAZINE

3-CHLORO-6-(1H-IMIDAZOL-1-YL)PYRIDAZINE

C7H5ClN4 (180.0203)


   

5-METHYLISOPHTHALIC ACID

5-METHYLISOPHTHALIC ACID

C9H8O4 (180.0423)


   

1,4-Benzodioxan-2-carboxylic acid

1,4-Benzodioxan-2-carboxylic acid

C9H8O4 (180.0423)


   

UNII:T9Z56HV1B0

UNII:T9Z56HV1B0

C9H8O4 (180.0423)


   

(S)-1,4-Benzodioxane-2-carboxylic acid

(S)-1,4-Benzodioxane-2-carboxylic acid

C9H8O4 (180.0423)


   

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

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

C8H5FN2O2 (180.0335)


   

7-Fluoro-1H-indazole-3-carboxylic acid

7-Fluoro-1H-indazole-3-carboxylic acid

C8H5FN2O2 (180.0335)


   

[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol

[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol

C6H7F3N2O (180.051)


   

4-(PHENOXYMETHYL)BENZENECARBOXYLICACID

4-(PHENOXYMETHYL)BENZENECARBOXYLICACID

C9H8O4 (180.0423)


   

6-Chloro-3,4-dihydro-2(1H)-naphthalenone

6-Chloro-3,4-dihydro-2(1H)-naphthalenone

C10H9ClO (180.0342)


   

7-chloro-1-tetralone

7-chloro-1-tetralone

C10H9ClO (180.0342)


   

Methyl 2-chloro-4-methoxy-3-oxobutanoate

Methyl 2-chloro-4-methoxy-3-oxobutanoate

C6H9ClO4 (180.0189)


   

6-CHLORO-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE

6-CHLORO-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE

C10H9ClO (180.0342)


   

5-FLUORO-2-NITROPHENYLACETONITRILE

5-FLUORO-2-NITROPHENYLACETONITRILE

C8H5FN2O2 (180.0335)


   

2,3-dihydroxypropyl 3-sulfanylpropanoate

2,3-dihydroxypropyl 3-sulfanylpropanoate

C6H12O4S (180.0456)


   

4-AMINO-2-(ETHYLTHIO)-5-PYRIMIDINECARBONITRILE

4-AMINO-2-(ETHYLTHIO)-5-PYRIMIDINECARBONITRILE

C7H8N4S (180.047)


   

2-Propenoyl chloride,2-methyl-3-phenyl-

2-Propenoyl chloride,2-methyl-3-phenyl-

C10H9ClO (180.0342)


   

1-(5-Chloro-1H-indol-3-yl)methanamine

1-(5-Chloro-1H-indol-3-yl)methanamine

C9H9ClN2 (180.0454)


   

6-fluoro-1H-indazole-3-carboxylic acid

6-fluoro-1H-indazole-3-carboxylic acid

C8H5FN2O2 (180.0335)


   

4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-5-nitro-

4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-5-nitro-

C6H4N4O3 (180.0283)


   

4-(5-methyl-2-furyl)-1,3-thiazol-2-amine

4-(5-methyl-2-furyl)-1,3-thiazol-2-amine

C8H8N2OS (180.0357)


   

ISOQUINOLIN-5-AMINE HYDROCHLORIDE

ISOQUINOLIN-5-AMINE HYDROCHLORIDE

C9H9ClN2 (180.0454)


   

2,6-Difluorophenylhydrazine hydrochloride

2,6-Difluorophenylhydrazine hydrochloride

C6H7ClF2N2 (180.0266)


   

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

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

C8H5FN2O2 (180.0335)


   

5-cyano-3,4-dimethylthiophene-2-carboxamide

5-cyano-3,4-dimethylthiophene-2-carboxamide

C8H8N2OS (180.0357)


   

7-NITRO-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE

7-NITRO-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE

C6H4N4O3 (180.0283)


   

(2,5-Difluorophenyl)hydrazine hydrochloride

(2,5-Difluorophenyl)hydrazine hydrochloride

C6H7ClF2N2 (180.0266)


   

5-fluoro-1-benzofuran-2-carboxylic acid

5-fluoro-1-benzofuran-2-carboxylic acid

C9H5FO3 (180.0223)


   

Methyl benzo[d][1,3]dioxole-4-carboxylate

Methyl benzo[d][1,3]dioxole-4-carboxylate

C9H8O4 (180.0423)


   

2,3,5,6-Tetrafluoro-1,4-phenylenediamine

2,3,5,6-Tetrafluoro-1,4-phenylenediamine

C6H4F4N2 (180.0311)


   

4-CHLORO-1H-INDOL-3-METHYLAMINE

4-CHLORO-1H-INDOL-3-METHYLAMINE

C9H9ClN2 (180.0454)


   

6-CHLORO-1H-INDOL-3-METHYLAMINE

6-CHLORO-1H-INDOL-3-METHYLAMINE

C9H9ClN2 (180.0454)


   

7-CHLORO-1H-INDOL-3-METHYLAMINE

7-CHLORO-1H-INDOL-3-METHYLAMINE

C9H9ClN2 (180.0454)


   

2-ethylthieno[2,3-d]pyrimidin-4-ol

2-ethylthieno[2,3-d]pyrimidin-4-ol

C8H8N2OS (180.0357)


   

2-Phenylcyclopropanecarbonyl chloride

2-Phenylcyclopropanecarbonyl chloride

C10H9ClO (180.0342)


   

myristicin aldehyde

myristicin aldehyde

C9H8O4 (180.0423)


   

5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE

5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE

C8H5FN2O2 (180.0335)


   

(5-Thien-2-yl-1h-pyrazol-3-yl)methanol

(5R,7R)-8-BENZYLOXY-7-HYDROXY-5-METHYL-5-VINYL-OCTANOICACIDMETHYLESTER

C8H8N2OS (180.0357)


   

4-Chlorophenyl cyclopropyl ketone

4-Chlorophenyl cyclopropyl ketone

C10H9ClO (180.0342)


   

Hydrazine,(2,3,5,6-tetrafluorophenyl)-

Hydrazine,(2,3,5,6-tetrafluorophenyl)-

C6H4F4N2 (180.0311)


   

3-[(2-Chlorophenyl)Amino]Propanenitrile

3-[(2-Chlorophenyl)Amino]Propanenitrile

C9H9ClN2 (180.0454)


   

2,1,3-benzothiadiazol-4-ylboronic acid

2,1,3-benzothiadiazol-4-ylboronic acid

C6H5BN2O2S (180.0165)


   

2-Amino-3-fluoro-5-(trifluoromethyl)pyridine

2-Amino-3-fluoro-5-(trifluoromethyl)pyridine

C6H4F4N2 (180.0311)


   

Hydrazinecarbothioamide,2-(3-pyridinylmethylene)-

Hydrazinecarbothioamide,2-(3-pyridinylmethylene)-

C7H8N4S (180.047)


   

3-chloro-7,9,10-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-8-amine

3-chloro-7,9,10-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-8-amine

C7H5ClN4 (180.0203)


   

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C5H3F3N2O2 (180.0147)


   

4-Chloro 2-methyl indanone

4-Chloro 2-methyl indanone

C10H9ClO (180.0342)


   

4-Fluoro-1H-indazole-3-carboxylic acid

4-Fluoro-1H-indazole-3-carboxylic acid

C8H5FN2O2 (180.0335)


   

5-Fluoro-1H-indazole-3-carboxylic acid

5-Fluoro-1H-indazole-3-carboxylic acid

C8H5FN2O2 (180.0335)


   

4-Fluoro-2-(trifluoromethyl)phenol

4-Fluoro-2-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

4-chlorobenzylideneacetone

4-chlorobenzylideneacetone

C10H9ClO (180.0342)


   

3-Fluoro-4-(trifluoromethyl)phenol

3-Fluoro-4-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

4-(METHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

4-(METHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

C7H8N4S (180.047)


   

5-Chloro-1,2-dimethyl-1H-benzimidazole

5-Chloro-1,2-dimethyl-1H-benzimidazole

C9H9ClN2 (180.0454)


   

Ethyl 2-(Methylsulfonyl)Propanoate

Ethyl 2-(Methylsulfonyl)Propanoate

C6H12O4S (180.0456)


   

6-Fluoro-4-hydroxy-2H-chromen-2-one

6-Fluoro-4-hydroxy-2H-chromen-2-one

C9H5FO3 (180.0223)


   

Trimethyl(2-thienylethynyl)silane

Trimethyl(2-thienylethynyl)silane

C9H12SSi (180.0429)


   

5-Chloro-1,8-naphthyridin-2(1H)-one

5-Chloro-1,8-naphthyridin-2(1H)-one

C8H5ClN2O (180.009)


   

8-Chloro-2-tetralone

8-Chloro-2-tetralone

C10H9ClO (180.0342)


   

7-Chloro-3,4-dihydro-2(1H)-naphthalenone

7-Chloro-3,4-dihydro-2(1H)-naphthalenone

C10H9ClO (180.0342)


   

2-Chloro-4-(2-furyl)pyrimidine

2-Chloro-4-(furan-2-yl)pyrimidine

C8H5ClN2O (180.009)


   

8-CHLORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

8-CHLORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

C10H9ClO (180.0342)


   

allyl propyl trisulfide

3-propylsulfanyldisulfanylprop-1-ene

C6H12S3 (180.0101)


   

4-Methyl-4,5,6,7-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione

4-Methyl-4,5,6,7-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione

C9H8O4 (180.0423)


   

pyrazolo[1,5-a]pyridine-3-carbonyl chloride

pyrazolo[1,5-a]pyridine-3-carbonyl chloride

C8H5ClN2O (180.009)


   

6-CHLORO-1,8-NAPHTHYRIDIN-2(1H)-ONE

6-CHLORO-1,8-NAPHTHYRIDIN-2(1H)-ONE

C8H5ClN2O (180.009)


   

6-CHLORO-1,7-NAPHTHYRIDIN-2(1H)-ONE

6-CHLORO-1,7-NAPHTHYRIDIN-2(1H)-ONE

C8H5ClN2O (180.009)


   

basionic(tm) ac 39

basionic(tm) ac 39

C4H8N2O4S (180.0205)


   

2-(2,4-Difluorophenyl)-1H-imidazole

2-(2,4-Difluorophenyl)-1H-imidazole

C9H6F2N2 (180.0499)


   

(2S)-trans-3-Amino-2-methyl-4-oxoazetidine-1-sulphonic acid

(2S)-trans-3-Amino-2-methyl-4-oxoazetidine-1-sulphonic acid

C4H8N2O4S (180.0205)


   

8-chloroimidazo[1,2-a]pyridine-2-carbaldehyde

8-chloroimidazo[1,2-a]pyridine-2-carbaldehyde

C8H5ClN2O (180.009)


   

4-OXO-4,5,6,7-TETRAHYDROBENZOFURAN-3-CARBOXYLIC ACID

4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

C9H8O4 (180.0423)


   

2-(trifluoromethyl)-1H-imidazole-5-carboxylic acid

2-(trifluoromethyl)-1H-imidazole-5-carboxylic acid

C5H3F3N2O2 (180.0147)


   

6-Chloroquinazolin-4-ol

6-Chloroquinazolin-4-ol

C8H5ClN2O (180.009)


   

6-Hydroxy-2-(trifluoromethyl)-4(1H)-pyrimidinone

6-Hydroxy-2-(trifluoromethyl)-4(1H)-pyrimidinone

C5H3F3N2O2 (180.0147)


   

3-chloro-1H-quinoxalin-2-one

3-chloro-1H-quinoxalin-2-one

C8H5ClN2O (180.009)


   

5-Methoxy-1,3-benzothiazol-2-amine

5-Methoxy-1,3-benzothiazol-2-amine

C8H8N2OS (180.0357)


   

5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

C8H5ClN2O (180.009)


   

4-Amino-6-methyl-2-(methylsulfanyl)-pyrimidine-5-carbonitrile

4-Amino-6-methyl-2-(methylsulfanyl)-pyrimidine-5-carbonitrile

C7H8N4S (180.047)


   

1,3-Diamino-2,4,5,6-tetrafluorobenzene

1,3-Diamino-2,4,5,6-tetrafluorobenzene

C6H4F4N2 (180.0311)


   

3-chlorobenzylideneacetone

3-chlorobenzylideneacetone

C10H9ClO (180.0342)


   

8-chloro-1,4-dihydro-1,7-naphthyridin-4-one

8-chloro-1,4-dihydro-1,7-naphthyridin-4-one

C8H5ClN2O (180.009)


   

2-CHLORO-7,8-DIHYDRO-1,7-NAPHTHYRIDIN-8-ONE

2-CHLORO-7,8-DIHYDRO-1,7-NAPHTHYRIDIN-8-ONE

C8H5ClN2O (180.009)


   

4-Amino-7,8-difluoroquinoline

4-Amino-7,8-difluoroquinoline

C9H6F2N2 (180.0499)


   

2-Chloromethyl-8-methyl-imidazo[1,2-a]pyridine

2-Chloromethyl-8-methyl-imidazo[1,2-a]pyridine

C9H9ClN2 (180.0454)


   

3-(Trifluoromethyl)-5,6-dihydro-1H-1,2-diazepin-7(4H)-one

3-(Trifluoromethyl)-5,6-dihydro-1H-1,2-diazepin-7(4H)-one

C6H7F3N2O (180.051)


   

7-Fluoro-6-azaindole-3-carboxylic acid

7-Fluoro-6-azaindole-3-carboxylic acid

C8H5FN2O2 (180.0335)


   

1,2-Benzenediamine,hydrochloride (1:2)

1,2-Benzenediamine,hydrochloride (1:2)

C6H10Cl2N2 (180.0221)


   

2-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE

2-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE

C8H5ClN2O (180.009)


   

2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile

2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile

C8H8N2OS (180.0357)


   

3-CHLORO-6-(1H-PYRAZOL-1-YL)PYRIDAZINE

3-CHLORO-6-(1H-PYRAZOL-1-YL)PYRIDAZINE

C7H5ClN4 (180.0203)


   

Pentaerythritol phosphate

Pentaerythritol phosphate

C5H9O5P (180.0188)


   

4-fluorobenzofuran-7-yl-7-boronic acid

4-fluorobenzofuran-7-yl-7-boronic acid

C8H6BFO3 (180.0394)


   

2-(trifluoromethyl)quinazolin-4-ol

2-(trifluoromethyl)quinazolin-4-ol

C10H9ClO (180.0342)


   

6-CHLORO-2,5-DIMETHYL-1H-BENZO[D]IMIDAZOLE

6-CHLORO-2,5-DIMETHYL-1H-BENZO[D]IMIDAZOLE

C9H9ClN2 (180.0454)


   

2-Fluoro-4-(trifluoromethyl)phenol

2-Fluoro-4-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole

2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole

C9H9ClN2 (180.0454)


   

7-chlorocinnolin-3-ol

7-chlorocinnolin-3-ol

C8H5ClN2O (180.009)


   

Methyl 4-formyl-3-hydroxybenzoate

Methyl 4-formyl-3-hydroxybenzoate

C9H8O4 (180.0423)


   

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

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

C5H3F3N2O2 (180.0147)


   

1H-BENZO[D]IMIDAZOLE-5-CARBONYL CHLORIDE

1H-BENZO[D]IMIDAZOLE-5-CARBONYL CHLORIDE

C8H5ClN2O (180.009)


   

5-Chloro-2-quinoxalinol

5-Chloro-2-quinoxalinol

C8H5ClN2O (180.009)


   

8-Chloro-2-quinoxalinol

8-Chloro-2-quinoxalinol

C8H5ClN2O (180.009)


   

Methyl 3-formyl-4-hydroxybenzoate

Methyl 3-formyl-4-hydroxybenzoate

C9H8O4 (180.0423)


   

4-Methylphthalic acid

4-Methylphthalic acid

C9H8O4 (180.0423)


   

3-(Trifluoromethoxy)fluorobenzene

3-(Trifluoromethoxy)fluorobenzene

C7H4F4O (180.0198)


   

Lithium tartrate monohydrate

Lithium tartrate monohydrate

C4H6Li2O7 (180.0434)


   

Carbamic acid, (aminosulfonyl)-, 2-propenyl ester (9CI)

Carbamic acid, (aminosulfonyl)-, 2-propenyl ester (9CI)

C4H8N2O4S (180.0205)


   

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde

C8H5ClN2O (180.009)


   

4-Chloro-3-formyl-7-azaindole

4-Chloro-3-formyl-7-azaindole

C8H5ClN2O (180.009)


   

6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H5ClN2O (180.009)


   

FAST RED B SALT

2-Methoxy-4-nitrobenzenediazonium

C7H6N3O3+ (180.0409)


   

4-FLUORO-3-NITROPHENYLACETONITRILE

4-FLUORO-3-NITROPHENYLACETONITRILE

C8H5FN2O2 (180.0335)


   

6-Hydroxy-3-nitroimidazo[1,2-b]pyridazine

6-Hydroxy-3-nitroimidazo[1,2-b]pyridazine

C6H4N4O3 (180.0283)


   

5-Fluoro-2-(trifluoromethyl)phenol

5-Fluoro-2-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

3-Bromo-7-hydroxy-4-methylchromen-2-one

3-Bromo-7-hydroxy-4-methylchromen-2-one

C6H4N4O3 (180.0283)


   

6-FLUORO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID

6-FLUORO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID

C8H5FN2O2 (180.0335)


   

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

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

C9H9ClN2 (180.0454)


   

5-Chloro-2-methyl-1-indanone

5-Chloro-2-methyl-1-indanone

C10H9ClO (180.0342)


   

7-Chloro-2-methyl-1-indanone

7-Chloro-2-methyl-1-indanone

C10H9ClO (180.0342)


   

2-Benzothiazolamine, 7-Methoxy-

2-Benzothiazolamine, 7-Methoxy-

C8H8N2OS (180.0357)


   

3-(4-chloroanilino)propanenitrile

3-(4-chloroanilino)propanenitrile

C9H9ClN2 (180.0454)


   

3-Formyl-4-methoxybenzoic acid

3-Formyl-4-methoxybenzoic acid

C9H8O4 (180.0423)


   

4-Isoquinolinamine hydrochloride (1:1)

4-Isoquinolinamine hydrochloride (1:1)

C9H9ClN2 (180.0454)


   

5-CHLORO-7-METHYL-1-INDANONE

5-CHLORO-7-METHYL-1-INDANONE

C10H9ClO (180.0342)


   

5-Chloro-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde

5-Chloro-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde

C8H5ClN2O (180.009)


   

4-AMINO-5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDINE

4-AMINO-5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDINE

C7H8N4S (180.047)


   

1H,4H-Bis[1,2,5]oxadiazolo[3,4-b:3,4-e]pyrazine,4-methyl-(9CI)

1H,4H-Bis[1,2,5]oxadiazolo[3,4-b:3,4-e]pyrazine,4-methyl-(9CI)

C5H4N6O2 (180.0396)


   

(2,3,4,5-Tetrafluorophenyl)methanol

(2,3,4,5-Tetrafluorophenyl)methanol

C7H4F4O (180.0198)


   

3,5-Difluorophenylhydrazine hydrochloride

3,5-Difluorophenylhydrazine hydrochloride

C6H7ClF2N2 (180.0266)


   

2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine

2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine

C9H9ClN2 (180.0454)


   

2-(Trifluoromethoxy)fluorobenzene

2-(Trifluoromethoxy)fluorobenzene

C7H4F4O (180.0198)


   

1-Fluoro-4-(trifluoromethoxy)benzene

1-Fluoro-4-(trifluoromethoxy)benzene

C7H4F4O (180.0198)


   

3-(4-Mercaptophenyl)acrylic acid

3-(4-Mercaptophenyl)acrylic acid

C9H8O2S (180.0245)


   

4-chloro-2-methylpteridine

4-chloro-2-methylpteridine

C7H5ClN4 (180.0203)


   

3-(Carboxymethyl)benzoic acid

3-(Carboxymethyl)benzoic acid

C9H8O4 (180.0423)


   

4-Fluoro-1H-indazole-5-carboxylic acid

4-Fluoro-1H-indazole-5-carboxylic acid

C8H5FN2O2 (180.0335)


   

6-Ethylthieno[2,3-d]pyrimidin-4(3H)-one

6-Ethylthieno[2,3-d]pyrimidin-4(3H)-one

C8H8N2OS (180.0357)


   

3-amino-2-methyl-4-oxo-azetidine-1-sulfonic acid

3-amino-2-methyl-4-oxo-azetidine-1-sulfonic acid

C4H8N2O4S (180.0205)


   

2,3-DIFLUOROPHENYLHYDRAZINE HYDROCHLORIDE

2,3-DIFLUOROPHENYLHYDRAZINE HYDROCHLORIDE

C6H7ClF2N2 (180.0266)


   

2-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

2-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H5ClN2O (180.009)


   

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

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

C8H5FN2O2 (180.0335)


   

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

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

C8H5FN2O2 (180.0335)


   

Boronic acid, B-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-

Boronic acid, B-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-

C7H6BFN2O2 (180.0506)


   

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol

C6H7F3N2O (180.051)


   

4-Methoxybenzylmagnesium chloride

4-Methoxybenzylmagnesium chloride

C8H9ClMgO (180.0192)


   

2-(4-Chlorophenyl)-1,3,4-oxadiazole

2-(4-Chlorophenyl)-1,3,4-oxadiazole

C8H5ClN2O (180.009)


   

2-(3-Chlorophenyl)-1,3,4-oxadiazole

2-(3-Chlorophenyl)-1,3,4-oxadiazole

C8H5ClN2O (180.009)


   

2-Carboxy-6-fluoroimidazo[1,2-a]pyridine

2-Carboxy-6-fluoroimidazo[1,2-a]pyridine

C8H5FN2O2 (180.0335)


   

3-chloro-1H-indazol-5-carbaldehyde

3-chloro-1H-indazol-5-carbaldehyde

C8H5ClN2O (180.009)


   

2-CHLORO-SS-OXO-3-PYRIDINEPROPANENITRILE

2-CHLORO-SS-OXO-3-PYRIDINEPROPANENITRILE

C8H5ClN2O (180.009)


   

3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE

3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE

C8H5ClN2O (180.009)


   

2-Chloro-5-phenyl-1,3,4-oxadiazole

2-Chloro-5-phenyl-1,3,4-oxadiazole

C8H5ClN2O (180.009)


   

3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one

3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one

C8H8N2OS (180.0357)


   

2-Acetoxybenzoic acid

2-Acetoxybenzoic acid

C9H8O4 (180.0423)


   

2-Fluoro-5-nitrophenylacetonitrile

2-Fluoro-5-nitrophenylacetonitrile

C8H5FN2O2 (180.0335)


   

1-[5-(3-HYDROXYPROP-1-YNYL)-2-THIENYL]ETHAN-1-ONE

1-[5-(3-HYDROXYPROP-1-YNYL)-2-THIENYL]ETHAN-1-ONE

C9H8O2S (180.0245)


   

(2-chlorophenyl)-cyclopropylmethanone

(2-chlorophenyl)-cyclopropylmethanone

C10H9ClO (180.0342)


   

(6,7-DIHYDRO-4H-PYRANO[4,3-D]THIAZOL-2-YL)-ACETONITRILE

(6,7-DIHYDRO-4H-PYRANO[4,3-D]THIAZOL-2-YL)-ACETONITRILE

C8H8N2OS (180.0357)


   

pyridin-3-ylmethanamine,dihydrochloride

pyridin-3-ylmethanamine,dihydrochloride

C6H10Cl2N2 (180.0221)


   

4-CHLORO-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE

4-CHLORO-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE

C10H9ClO (180.0342)


   

4-hydrazino-5-methylthieno[2,3-d]pyrimidine

4-hydrazino-5-methylthieno[2,3-d]pyrimidine

C7H8N4S (180.047)


   

2-(TRIFLUOROACETYL)CYCLOPENTANONE

2-(TRIFLUOROACETYL)CYCLOPENTANONE

C7H7F3O2 (180.0398)


   

3-(Chloromethyl)-1-methyl-1H-indazole

3-(Chloromethyl)-1-methyl-1H-indazole

C9H9ClN2 (180.0454)


   

Uvitic acid

Uvitic acid

C9H8O4 (180.0423)


   

[5-methyl-2-(trifluoromethyl)-3-furyl]methanol

[5-methyl-2-(trifluoromethyl)-3-furyl]methanol

C7H7F3O2 (180.0398)


   

1,2,4,5-Tetrafluoro-3-methoxybenzene

1,2,4,5-Tetrafluoro-3-methoxybenzene

C7H4F4O (180.0198)


   

4-Chloro-6-(1H-imidazol-1-yl)pyrimidine

4-Chloro-6-(1H-imidazol-1-yl)pyrimidine

C7H5ClN4 (180.0203)


   

2,3,5,6-Pyrazinetetracarbonitrile

2,3,5,6-Pyrazinetetracarbonitrile

C8N6 (180.0184)


   

(2-Fluoro-4-nitrophenyl)acetonitrile

(2-Fluoro-4-nitrophenyl)acetonitrile

C8H5FN2O2 (180.0335)


   

8-chloropyrido[2,3-d]pyridazin-5-amine

8-chloropyrido[2,3-d]pyridazin-5-amine

C7H5ClN4 (180.0203)


   

5-chloro-3-phenyl-1,2,4-oxadiazole

5-chloro-3-phenyl-1,2,4-oxadiazole

C8H5ClN2O (180.009)


   

2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one

2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one

C8H5ClN2O (180.009)


   

(2E)-3-(4-Methylphenyl)acryloyl chloride

(2E)-3-(4-Methylphenyl)acryloyl chloride

C10H9ClO (180.0342)


   

(E)-3-O-TOLYLACRYLOYLCHLORIDE

(E)-3-O-TOLYLACRYLOYLCHLORIDE

C10H9ClO (180.0342)


   

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

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

C9H9ClN2 (180.0454)


   

5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H5ClN2O (180.009)


   

4-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine

4-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine

C9H9ClN2 (180.0454)


   

3-FORMYLPHENOXYACETIC ACID

3-FORMYLPHENOXYACETIC ACID

C9H8O4 (180.0423)


   

1H-Benzimidazole-4-carboxylic acid,5-fluoro- (9CI)

1H-Benzimidazole-4-carboxylic acid,5-fluoro- (9CI)

C8H5FN2O2 (180.0335)


   

2,3-Dihydro-1H-indole-6-carbonitrile hydrochloride

2,3-Dihydro-1H-indole-6-carbonitrile hydrochloride

C9H9ClN2 (180.0454)


   

mono-methyl_terephthalate

mono-methyl_terephthalate

C9H8O4 (180.0423)


   

MONOPHENYL MALONATE

MONOPHENYL MALONATE

C9H8O4 (180.0423)


   

6-bromohexanol

6-Bromo-1-hexanol

C6H13BrO (180.015)


   

5-Amino-2-methyl-1,3-benzothiazol-6-ol

5-Amino-2-methyl-1,3-benzothiazol-6-ol

C8H8N2OS (180.0357)


   

1H-Benzimidazole,5-(2-chloroethyl)-(9CI)

1H-Benzimidazole,5-(2-chloroethyl)-(9CI)

C9H9ClN2 (180.0454)


   

4-acetoxymethylpyridine

4-acetoxymethylpyridine

C7H4F4O (180.0198)


   

4-Carboxyphenylacetic acid

4-Carboxyphenylacetic acid

C9H8O4 (180.0423)


   

4-methoxy-1,3-benzothiazol-2-amine

4-methoxy-1,3-benzothiazol-2-amine

C8H8N2OS (180.0357)


   

3,6-DIMETHYLIMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE

3,6-DIMETHYLIMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE

C8H8N2OS (180.0357)


   

[Bis(methylsulfanyl)methyl](trimethyl)silane

[Bis(methylsulfanyl)methyl](trimethyl)silane

C6H16S2Si (180.0463)


   

4-Amino-5,7-difluoroquinoline

4-Amino-5,7-difluoroquinoline

C9H6F2N2 (180.0499)


   

4-Amino-5,8-difluoroquinoline

4-Amino-5,8-difluoroquinoline

C9H6F2N2 (180.0499)


   

1H-Benzimidazole,1-chloro-2,5-dimethyl-(9CI)

1H-Benzimidazole,1-chloro-2,5-dimethyl-(9CI)

C9H9ClN2 (180.0454)


   

6-Fluoro-1H-indazole-4-carboxylic acid

6-Fluoro-1H-indazole-4-carboxylic acid

C8H5FN2O2 (180.0335)


   

6-AMINO-2H-1,4-BENZOTHIAZIN-3(4H)-ONE

6-AMINO-2H-1,4-BENZOTHIAZIN-3(4H)-ONE

C8H8N2OS (180.0357)


   

2-acetyloxybenzoic acid

2-acetyloxybenzoic acid

C9H8O4 (180.0423)


   

Trimethyl(3-thienylethynyl)silane

Trimethyl(3-thienylethynyl)silane

C9H12SSi (180.0429)


   

2-(2-CHLOROETHYL)-1H-BENZO[D]IMIDAZOLE

2-(2-CHLOROETHYL)-1H-BENZO[D]IMIDAZOLE

C9H9ClN2 (180.0454)


   

1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-

1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-

C5H3F3N2O2 (180.0147)


   

5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one

5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one

C8H8N2OS (180.0357)


   

methyl 1,3-benzodioxole-2-carboxylate

methyl 1,3-benzodioxole-2-carboxylate

C9H8O4 (180.0423)


   

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

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

C8H5FN2O2 (180.0335)


   

6-FLUOROH-PYRAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID

6-FLUOROH-PYRAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID

C8H5FN2O2 (180.0335)


   

4(1H)-Pteridinone,2,3-dihydro-2-thioxo-

4(1H)-Pteridinone,2,3-dihydro-2-thioxo-

C6H4N4OS (180.0106)


   

2-Formylphenoxyacetic acid

2-Formylphenoxyacetic acid

C9H8O4 (180.0423)


   

(5-chloro-1H-indol-2-yl)methylamine

(5-chloro-1H-indol-2-yl)methylamine

C9H9ClN2 (180.0454)


   

1-bromo-5-methoxypentane

1-bromo-5-methoxypentane

C6H13BrO (180.015)


   

2-Chloro-6-(1H-pyrazol-1-yl)pyrazine

2-Chloro-6-(1H-pyrazol-1-yl)pyrazine

C7H5ClN4 (180.0203)


   

2-Chloro-6-(1H-imidazol-1-yl)pyrazine

2-Chloro-6-(1H-imidazol-1-yl)pyrazine

C7H5ClN4 (180.0203)


   

5-Chloro-1-tetralone

5-Chloro-1-tetralone

C10H9ClO (180.0342)


   

2,3,4,6-Tetrafluorobenzyl Alcohol

2,3,4,6-Tetrafluorobenzyl Alcohol

C7H4F4O (180.0198)


   

4-fluorobenzofuran-2-carboxylic acid

4-fluorobenzofuran-2-carboxylic acid

C9H5FO3 (180.0223)


   

3-nitro-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-nitro-4H-pyrazolo[1,5-a]pyrimidin-5-one

C6H4N4O3 (180.0283)


   

4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine

4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine

C7H5ClN4 (180.0203)


   

2-Trioxiden-2-ium-1-ide - oxosulfane oxide (1:1)

2-Trioxiden-2-ium-1-ide - oxosulfane oxide (1:1)

C6H4F4N2 (180.0311)


   

Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylicacid

Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylicacid

C9H8O4 (180.0423)


   

6-FLUOROQUINAZOLINE-2,4-DIOL

6-FLUOROQUINAZOLINE-2,4-DIOL

C8H5FN2O2 (180.0335)


   

(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine

(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine

C7H8N4S (180.047)


   

1H-Benzimidazole,2-(1-chloroethyl)-(9CI)

1H-Benzimidazole,2-(1-chloroethyl)-(9CI)

C9H9ClN2 (180.0454)


   

6-FLUORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID

6-FLUORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID

C8H5FN2O2 (180.0335)


   

2,1,3-benzothiadiazol-5-ylboronic acid

2,1,3-benzothiadiazol-5-ylboronic acid

C6H5BN2O2S (180.0165)


   

1H-Benzimidazole,7-chloro-1,2-dimethyl-(9CI)

1H-Benzimidazole,7-chloro-1,2-dimethyl-(9CI)

C9H9ClN2 (180.0454)


   

1H-Benzimidazole,1-(chloromethyl)-2-methyl-(9CI)

1H-Benzimidazole,1-(chloromethyl)-2-methyl-(9CI)

C9H9ClN2 (180.0454)


   

1H-BENZIMIDAZOLE, 6-CHLORO-2-ETHYL-

1H-BENZIMIDAZOLE, 6-CHLORO-2-ETHYL-

C9H9ClN2 (180.0454)


   

3-methoxybenzylmagnesium chloride

3-methoxybenzylmagnesium chloride

C8H9ClMgO (180.0192)


   

3-Fluoro-5-(trifluoromethyl)phenol

3-Fluoro-5-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

Thieno[3,4-b]pyrazine, 2,3-dimethyl-, 1-oxide (9CI)

Thieno[3,4-b]pyrazine, 2,3-dimethyl-, 1-oxide (9CI)

C8H8N2OS (180.0357)


   

5-Methoxy-2-benzimidazolethiol

5-Methoxy-2-benzimidazolethiol

C8H8N2OS (180.0357)


   

(4-formyl-3-hydroxyphenyl) acetate

(4-formyl-3-hydroxyphenyl) acetate

C9H8O4 (180.0423)


   

Fast Scarlet RC Base

Fast Scarlet RC Base

C7H6N3O3+ (180.0409)


   

1-ETHYNYL-4-(METHYLSULPHONYL)-BENZENE

1-ETHYNYL-4-(METHYLSULPHONYL)-BENZENE

C9H8O2S (180.0245)


   

5-chloro-l-indomone

5-chloro-l-indomone

C10H9ClO (180.0342)


   

Methyl 5-formyl-2-hydroxybenzoate

Methyl 5-formyl-2-hydroxybenzoate

C9H8O4 (180.0423)


   

1H-Inden-1-one,7-chloro-2,3-dihydro-4-methyl-

1H-Inden-1-one,7-chloro-2,3-dihydro-4-methyl-

C10H9ClO (180.0342)


   

(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID

(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID

C4H4BF3N2O2 (180.0318)


   

2-methoxybenzylmagnesium chloride

2-methoxybenzylmagnesium chloride

C8H9ClMgO (180.0192)


   

4-(S-Acetylthio)benzaldehyde

4-(S-Acetylthio)benzaldehyde

C9H8O2S (180.0245)


   

1H-Benzimidazole,1-(2-chloroethyl)-(9CI)

1H-Benzimidazole,1-(2-chloroethyl)-(9CI)

C9H9ClN2 (180.0454)


   

6-Chloro-2-methyl-1-indanone

6-Chloro-2-methyl-1-indanone

C10H9ClO (180.0342)


   

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

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

C8H5FN2O2 (180.0335)


   

Ethanone, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro- (9CI)

Ethanone, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro- (9CI)

C7H7F3O2 (180.0398)


   

2-(1,3-benzodioxol-4-yl)acetic acid

2-(1,3-benzodioxol-4-yl)acetic acid

C9H8O4 (180.0423)


   

2-BUTOXYETHYL BROMIDE

2-BUTOXYETHYL BROMIDE

C6H13BrO (180.015)


   

2-Fluoro-5-(trifluoromethyl)phenol

2-Fluoro-5-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

5-(2-Chlorophenyl)-1H-tetrazole

5-(2-Chlorophenyl)-1H-tetrazole

C7H5ClN4 (180.0203)


   

7-fluoro-3-(hydroxyamino)indol-2-one

7-fluoro-3-(hydroxyamino)indol-2-one

C8H5FN2O2 (180.0335)


   

7-Fluoro-2,4(1H,3H)-quinazolinedione

7-Fluoro-2,4(1H,3H)-quinazolinedione

C8H5FN2O2 (180.0335)


   

2-(chloromethyl)-5-methyl-3H-benzoimidazole

2-(chloromethyl)-5-methyl-3H-benzoimidazole

C9H9ClN2 (180.0454)


   

2-Fluoro-3-(trifluoromethyl)phenol

2-Fluoro-3-(trifluoromethyl)phenol

C7H4F4O (180.0198)


   

Trifluorothymine

Trifluorothymine

C5H3F3N2O2 (180.0147)


   

5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione

5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione

C7H8N4S (180.047)


   

1H-Benzimidazole,4-chloro-1,2-dimethyl-(9CI)

1H-Benzimidazole,4-chloro-1,2-dimethyl-(9CI)

C9H9ClN2 (180.0454)


   

1H-Benzimidazole,2-chloro-1-ethyl-(9CI)

1H-Benzimidazole,2-chloro-1-ethyl-(9CI)

C9H9ClN2 (180.0454)


   

3-(3-chlorophenyl)cyclobutan-1-one

3-(3-chlorophenyl)cyclobutan-1-one

C10H9ClO (180.0342)


   

4,7-Dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carbaldehyde

4,7-Dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carbaldehyde

C9H8O4 (180.0423)


   

cis-1-Propenyl propyl trisulfide

cis-1-Propenyl propyl trisulfide

C6H12S3 (180.0101)


   

trans-1-Propenyl propyl trisulfide

trans-1-Propenyl propyl trisulfide

C6H12S3 (180.0101)


   

2,4,7-Trihydroxypteridine

2,4,7-Trihydroxypteridine

C6H4N4O3 (180.0283)


   

D-arabinaric acid

D-arabinaric acid

C5H8O7 (180.027)


   

Caffeic acid-13C9

Caffeic acid-13C9

C9H8O4 (180.0423)


   

(Z)-3-(3,5-Dihydroxyphenyl)acrylic acid

(Z)-3-(3,5-Dihydroxyphenyl)acrylic acid

C9H8O4 (180.0423)


   

3-(4-Hydroxyphenyl)oxirane-2-carboxylic acid

3-(4-Hydroxyphenyl)oxirane-2-carboxylic acid

C9H8O4 (180.0423)


   

1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-

1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-

C9H8O4 (180.0423)


   

2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-yl)acetamide

2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-yl)acetamide

C4H3F3N4O (180.0259)


   

Triethynyl(phenyl)silane

Triethynyl(phenyl)silane

C12H8Si (180.0395)


   

4-[Hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid

4-[Hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid

C5H9O5P (180.0188)


   

AI3-63211

InChI=1\C9H8O4\c10-7-3-1-6(5-8(7)11)2-4-9(12)13\h1-5,10-11H,(H,12,13)\b4-2

C9H8O4 (180.0423)


D020011 - Protective Agents > D000975 - Antioxidants Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO). Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

   

FR-0410

InChI=1\C9H8O4\c1-13-9(12)7-5-3-2-4-6(7)8(10)11\h2-5H,1H3,(H,10,11

C9H8O4 (180.0423)


Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1]. Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].

   

(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid

(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid

C5H9ClN2O3 (180.0302)


   

5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate

5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate

C8H6NO4- (180.0297)


   

cis-Umbellic acid

cis-Umbellic acid

C9H8O4 (180.0423)


   

(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid

(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid

C5H11NO4P- (180.0426)


   

Isovaleryl phosphate

Isovaleryl phosphate

C5H9O5P-2 (180.0188)


   

Thieno[3,2-b] pyridine-5-carboxylate

Thieno[3,2-b] pyridine-5-carboxylate

C8H6NO2S- (180.0119)


   

(E)-4-hydroxy-3-methylbut-2-enyl phosphate

(E)-4-hydroxy-3-methylbut-2-enyl phosphate

C5H9O5P-2 (180.0188)


   

Pentanoyl phosphate

Pentanoyl phosphate

C5H9O5P-2 (180.0188)


   

2-Methylbutanoyl phosphate

2-Methylbutanoyl phosphate

C5H9O5P-2 (180.0188)


   

(2-Acetamidopropyl)phosphonate

(2-Acetamidopropyl)phosphonate

C5H11NO4P- (180.0426)


   

Phosphinothricin

Phosphinothricin

C5H11NO4P- (180.0426)


D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

   

S-Methyl-5-thio-D-ribose

S-Methyl-5-thio-D-ribose

C6H12O4S (180.0456)


D-ribose with the hydroxy group substituted for a methylthio group at position C-5.

   

L-arabinaric acid

L-arabinaric acid

C5H8O7 (180.027)


   

3-Acetamidopropane-1-sulfonate

3-Acetamidopropane-1-sulfonate

C5H10NO4S- (180.0331)


   

5-S-Methyl-5-thio-alpha-D-ribofuranose

5-S-Methyl-5-thio-alpha-D-ribofuranose

C6H12O4S (180.0456)


An 5-S-methyl-5-thio-D-ribose that has the 1alpha-D-ribofuranose configuration.

   

4-[Hydroxy(methyl)phosphoryl]-2-oxobutanoic acid

4-[Hydroxy(methyl)phosphoryl]-2-oxobutanoic acid

C5H9O5P (180.0188)


   

Hydroxyphenylpyruvic acid

Hydroxyphenylpyruvic acid

C9H8O4 (180.0423)


   

(4-Nitrophenyl)acetate

(4-Nitrophenyl)acetate

C8H6NO4- (180.0297)


   

4-Hydroxy-3-nitrophenylacetaldehyde(1-)

4-Hydroxy-3-nitrophenylacetaldehyde(1-)

C8H6NO4- (180.0297)


   

2-[2-(2-Hydroxyethylsulanyl)ethylsulanyl]ethanol

2-[2-(2-Hydroxyethylsulanyl)ethylsulanyl]ethanol

C6H12O2S2 (180.0279)


   

(S)-3-hydroxy-2-oxo-3-phenylpropanoic acid

(S)-3-hydroxy-2-oxo-3-phenylpropanoic acid

C9H8O4 (180.0423)


   

(2R)-2-azaniumyl-4-(methylphosphinato)butanoate

(2R)-2-azaniumyl-4-(methylphosphinato)butanoate

C5H11NO4P- (180.0426)


   

3-(3-Hydroxyphenyl)oxirane-2-carboxylic acid

3-(3-Hydroxyphenyl)oxirane-2-carboxylic acid

C9H8O4 (180.0423)


   

3-(2-Hydroxyphenyl)oxirane-2-carboxylic acid

3-(2-Hydroxyphenyl)oxirane-2-carboxylic acid

C9H8O4 (180.0423)


   

2,2,2-trifluoro-N-(4H-1,2,4-triazol-4-yl)acetamide

2,2,2-trifluoro-N-(4H-1,2,4-triazol-4-yl)acetamide

C4H3F3N4O (180.0259)


   

9H-Pyrimido[1,2-a][1,3,5]triazine-2,4,8-trione

9H-Pyrimido[1,2-a][1,3,5]triazine-2,4,8-trione

C6H4N4O3 (180.0283)


   

2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid

2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid

C9H8O4 (180.0423)


   

5-Methylthio-D-ribose

5-Methylthio-D-ribose

C6H12O4S (180.0456)


   

2,3-dihydroxycinnamic acid

(2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate

C9H8O4 (180.0423)


   

2,4,6-Trimethyl-1,3,5-trithiane

1,3,5-Trithiane,2,4,6-trimethyl-

C6H12S3 (180.0101)


   

ethyl 2-(methyldithio)propionate

ethyl 2-(methyldithio)propionate

C6H12O2S2 (180.0279)


   

1-(Methylthio)ethyl 2-propenyl disulfide

1-(Methylthio)ethyl 2-propenyl disulfide

C6H12S3 (180.0101)


   

3-Hydroxyphenylpyruvic acid

3-Hydroxyphenylpyruvic acid

C9H8O4 (180.0423)


A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3-hydroxyphenyl group.

   

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

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

C9H8O4 (180.0423)


A 2-hydroxy monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a hydroxy group and a hydrogen at position 3 is substituted by a 4-hydroxyphenyl group.

   

Acetylsalicylic acid

Acetylsalicylic acid

C9H8O4 (180.0423)


Benzoic acid carrying an acetoxy group at the 2-position. A non-steroidal anti-inflammatory drug with moA cyclooxygenase inhibitor activity.

   

2,3-dihydroxy-trans-cinnamic acid

2,3-dihydroxy-trans-cinnamic acid

C9H8O4 (180.0423)


   

Methylthioribose

Methylthioribose

C6H12O4S (180.0456)


   

Dihydroxy-trans-cinnamate

Dihydroxy-trans-cinnamate

C9H8O4 (180.0423)


   

4,5-dihydroxy-7-methyl-3h-2-benzofuran-1-one

4,5-dihydroxy-7-methyl-3h-2-benzofuran-1-one

C9H8O4 (180.0423)


   

5,7-dihydroxy-4-methyl-3h-2-benzofuran-1-one

5,7-dihydroxy-4-methyl-3h-2-benzofuran-1-one

C9H8O4 (180.0423)


   

1-(prop-1-en-1-yl)-1-propoxy-1λ⁶-disulfen-1-one

1-(prop-1-en-1-yl)-1-propoxy-1λ⁶-disulfen-1-one

C6H12O2S2 (180.0279)


   

4-acetyl-3-hydroxybenzoic acid

4-acetyl-3-hydroxybenzoic acid

C9H8O4 (180.0423)


   

1- coffee acid

NA

C9H8O4 (180.0423)


{"Ingredient_id": "HBIN002455","Ingredient_name": "1- coffee acid","Alias": "NA","Ingredient_formula": "C9H8O4","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,7-dihydroxychroman-4-one

NA

C9H8O4 (180.0423)


{"Ingredient_id": "HBIN007781","Ingredient_name": "3,7-dihydroxychroman-4-one","Alias": "NA","Ingredient_formula": "C9H8O4","Ingredient_Smile": "C1C(C(=O)C2=C(O1)C=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42618","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-acetyl-4-hydroxybenzoic acid

3-ethanoyl-4-hydroxy-benzoic acid; 3-acetyl-4-hydroxy-benzoic acid

C9H8O4 (180.0423)


{"Ingredient_id": "HBIN007867","Ingredient_name": "3-acetyl-4-hydroxybenzoic acid","Alias": "3-ethanoyl-4-hydroxy-benzoic acid; 3-acetyl-4-hydroxy-benzoic acid","Ingredient_formula": "C9H8O4","Ingredient_Smile": "CC(=O)C1=C(C=CC(=C1)C(=O)O)O","Ingredient_weight": "180.16 g/mol","OB_score": "37.58287504","CAS_id": "NA","SymMap_id": "SMIT08826","TCMID_id": "NA","TCMSP_id": "MOL007378","TCM_ID_id": "NA","PubChem_id": "9179245","DrugBank_id": "NA"}

   

Acetyl-4-hydroxy-benzoic acid

NA

C9H8O4 (180.0423)


{"Ingredient_id": "HBIN014442","Ingredient_name": "Acetyl-4-hydroxy-benzoic acid","Alias": "NA","Ingredient_formula": "C9H8O4","Ingredient_Smile": "CC(=O)C1=C(C=CC(=C1)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33729","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl 2-(2-hydroxyphenyl)-2-oxoacetate

methyl 2-(2-hydroxyphenyl)-2-oxoacetate

C9H8O4 (180.0423)


   

(2z)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

(2z)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

C9H8O4 (180.0423)


   

5,7-dihydroxy-6-methyl-3h-2-benzofuran-1-one

5,7-dihydroxy-6-methyl-3h-2-benzofuran-1-one

C9H8O4 (180.0423)


   

4,7-dihydroxy-1h,3h-cyclohepta[c]furan-6-one

4,7-dihydroxy-1h,3h-cyclohepta[c]furan-6-one

C9H8O4 (180.0423)


   

1,2,3-trithionane

1,2,3-trithionane

C6H12S3 (180.0101)


   

7-hydroxy-5-methoxy-3h-2-benzofuran-1-one

7-hydroxy-5-methoxy-3h-2-benzofuran-1-one

C9H8O4 (180.0423)


   

(2e)-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enal

(2e)-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enal

C9H8O4 (180.0423)


   

(e)-5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione

(e)-5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione

C9H8O4 (180.0423)


   

d-xylaric acid

d-xylaric acid

C5H8O7 (180.027)


   

umbellic acid

umbellic acid

C9H8O4 (180.0423)


   

(2-formyl-3-hydroxyphenyl)methyl formate

(2-formyl-3-hydroxyphenyl)methyl formate

C9H8O4 (180.0423)


   

2-phosphinomethylmalic acid

2-phosphinomethylmalic acid

C5H9O5P (180.0188)


   

5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione

5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione

C9H8O4 (180.0423)


   

7-methoxy-2h-1,3-benzodioxole-5-carbaldehyde

7-methoxy-2h-1,3-benzodioxole-5-carbaldehyde

C9H8O4 (180.0423)


   

3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

C9H8O4 (180.0423)


   

4,6-dihydroxy-5-methyl-3h-2-benzofuran-1-one

4,6-dihydroxy-5-methyl-3h-2-benzofuran-1-one

C9H8O4 (180.0423)


   

chromene-2,2,6-triol

chromene-2,2,6-triol

C9H8O4 (180.0423)


   

3-(4-methoxy-6-oxopyran-2-yl)prop-2-enal

3-(4-methoxy-6-oxopyran-2-yl)prop-2-enal

C9H8O4 (180.0423)