Exact Mass: 136.0129

Exact Mass Matches: 136.0129

Found 434 metabolites which its exact mass value is equals to given mass value 136.0129, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Hydroxyacetophenone

2-Hydroxy-1-phenylethan-1-one

C8H8O2 (136.0524)


2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2]. 2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2].

   

Hypoxanthine

1,7-Dihydro-6H-purine-6-one

C5H4N4O (136.0385)


Hypoxanthine, also known as purine-6-ol or Hyp, belongs to the class of organic compounds known as purines. Purines are a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Hypoxanthine is also classified as an oxopurine, Hypoxanthine is a naturally occurring purine derivative and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the nucleotide salvage pathway. Hypoxanthine exists in all living species, ranging from bacteria to plants to humans. Hypoxanthine has been detected, but not quantified in, several different foods, such as radish (var.), mountain yams, welsh onions, greenthread tea, and common beets. Hypoxanthine is occasionally found as a constituent of nucleic acids, where it is present in the anticodon of tRNA in the form of its nucleoside inosine. Biologically, hypoxanthine can be formed a number of ways. For instance, it is one of the products of the action of xanthine oxidase on xanthine. However, more frequently xanthine is formed from oxidation of hypoxanthine by xanthine oxidoreductase. The enzyme hypoxanthine-guanine phosphoribosyltransferase converts hypoxanthine into IMP in the nucleotide salvage pathway. Hypoxanthine is also a spontaneous deamination product of adenine. Under normal circumstances hypoxanthine is readily converted to uric acid. In this process, hypoxanthine is first oxidized to xanthine, which is further oxidized to uric acid by xanthine oxidase. Molecular oxygen, the oxidant in both reactions, is reduced to H2O2 and other reactive oxygen species. In humans, uric acid is the final product of purine degradation and is excreted in the urine. Within humans, hypoxanthine participates in a number of other enzymatic reactions. In particular, hypoxanthine and ribose 1-phosphate can be biosynthesized from inosine through its interaction with the enzyme purine nucleoside phosphorylase. Hypoxanthine is also involved in the metabolic disorder called the purine nucleoside phosphorylase deficiency. Purine nucleoside phosphorylase (PNP) deficiency is a disorder of the immune system (primary immunodeficiency) characterized by recurrent infections, neurologic symptoms, and autoimmune disorders. PNP deficiency causes a shortage of white blood cells, called T-cells, that help fight infection. Affected individuals develop neurologic symptoms, such as stiff or rigid muscles (spasticity), uncoordinated movements (ataxia), developmental delay, and intellectual disability. PNP deficiency is associated with an increased risk to develop autoimmune disorders, such as autoimmune hemolytic anemia, idiopathic thrombocytopenic purpura (ITP), autoimmune neutropenia, thyroiditis, and lupus. [Spectral] Hypoxanthine (exact mass = 136.03851) and Adenine (exact mass = 135.0545) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Occurs widely in plant and animal tissue (CCD). Hypoxanthine is found in many foods, some of which are japanese chestnut, parsnip, okra, and horned melon. Hypoxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=68-94-0 (retrieved 2024-07-02) (CAS RN: 68-94-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.

   

Threonic acid

2,3,4-Trihydroxy-(threo)-butanoic acid

C4H8O5 (136.0372)


Threonic acid, also known as threonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Threonic acid is a sugar acid derived from threose. The L-isomer is a metabolite of ascorbic acid (vitamin C). One study suggested that because L-threonate inhibits DKK1 expression in vitro, it may have potential in the treatment of androgenic alopecia (PMID:21034532). Threonic acid is probably derived from glycated proteins or from degradation of ascorbic acid. It is a normal component in aqueous humour and blood (PMID:10420182). Threonic acid is a substrate of L-threonate 3-dehydrogenase (EC 1.1.1.129) in the ascorbate and aldarate metabolism pathway (KEGG). It has been found to be a microbial metabolite (PMID:20615997). L-threonic acid, also known as L-threonate or L-threonic acid magnesium salt, belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. L-threonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). L-threonic acid can be found in a number of food items such as buffalo currant, yam, purslane, and bayberry, which makes L-threonic acid a potential biomarker for the consumption of these food products. L-threonic acid can be found primarily in blood. Threonic acid is a sugar acid derived from threose. The L-isomer is a metabolite of ascorbic acid (vitamin C). One study suggested that because L-threonate inhibits DKK1 expression in vitro, it may have potential in treatment of androgenic alopecia .

   

2-Methylbenzoic acid

2-Toluic acid, sodium salt, 11C-labeled

C8H8O2 (136.0524)


o-Toluic acid, also 2-methylbenzoic acid, is an aromatic carboxylic acid, with formula (CH3)C6H4(COOH). -- Wikipedia; It is an isomer of p-toluic acid and m-toluic acid. -- Wikipedia KEIO_ID T038 o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid?substituted by a?methyl?group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.

   

4-Methylbenzoic acid

4-Toluic acid, potassium salt

C8H8O2 (136.0524)


4-Methylbenzoic acid is found in brassicas. 4-Methylbenzoic acid is isolated from horseradis KEIO_ID M017 p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.

   

Phenylacetic acid

Phenylacetic acid, sodium salt , carboxy-(11)C-labeled CPD

C8H8O2 (136.0524)


Phenylacetic acid, also known as phenylacetate or alpha-toluic acid, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Phenylacetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Phenylacetic acid can be synthesized from acetic acid. Phenylacetic acid is also a parent compound for other transformation products, including but not limited to, hydratropic acid, 2,4,5-trihydroxyphenylacetic acid, and mandelamide. Phenylacetic acid is a sweet, civet, and floral tasting compound and can be found in a number of food items such as hyssop, cowpea, endive, and shea tree, which makes phenylacetic acid a potential biomarker for the consumption of these food products. Phenylacetic acid can be found primarily in most biofluids, including cerebrospinal fluid (CSF), saliva, feces, and blood. Phenylacetic acid exists in all living species, ranging from bacteria to humans. In humans, phenylacetic acid is involved in the phenylacetate metabolism. Moreover, phenylacetic acid is found to be associated with kidney disease and phenylketonuria. Phenylacetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phenylacetic acid is a drug which is used for use as adjunctive therapy for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle. Phenyl acetate (or phenylacetate) is a carboxylic acid ester that has been found in the biofluids of patients with nephritis and/or hepatitis as well as patients with phenylketonuria (PKU), an inborn error of metabolism. Phenyl acetate has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Excess phenylalanine in the body can be disposed of through a transamination process leading to the production of phenylpyruvate. The phenylpyruvate can be further metabolized into a number of products. Decarboxylation of phenylpyruvate gives phenylacetate, while a reduction reaction gives phenyllactate. The phenylacetate can be further conjugated with glutamine to give phenylacetyl glutamine. All of these metabolites can be detected in serum and urine of PKU patients. Phenyl acetate is also produced endogenously as the metabolite of 2-Phenylethylamine, which is mainly metabolized by monoamine oxidase to form phenyl acetate. 2-phenylethylamine is an "endogenous amphetamine" which may modulate central adrenergic functions, and the urinary phenyl acetate levels have been postulated as a marker for depression. (PMID: 17978765 , 476920 , 6857245). Phenylacetate is also found in essential oils, e.g. neroli, rose oil, free and as esters and in many fruits. As a result it is used as a perfumery and flavoring ingredient. Phenyl acetate is a microbial metabolite. D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

4-Methoxybenzaldehyde

4-anisaldehyde, 1,2,3,4,5,6-(14)C6-labeled

C8H8O2 (136.0524)


4-Methoxybenzaldehyde, also known as 4-anisaldehyde or p-formylanisole, belongs to the class of organic compounds known as benzoyl derivatives, with the chemical formula CH3OC6H4CHO. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Anisaldehyde is prepared commercially by oxidation of 4-methoxytoluene (p-cresyl methyl ether) using manganese dioxide to convert a methyl group to the aldehyde group. 4-Methoxybenzaldehyde is a sweet, almond, and anise tasting compound. 4-Methoxybenzaldehyde can be found, on average, in the highest concentration within a few different foods, such as cumins, star anises, and fennels. 4-Methoxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cornmints, anises, herbs and spices, tarragons, and tea. The related ortho isomer has a scent of licorice. It is a colorless liquid with a strong aroma. A solution of para-anisaldehyde in acid and ethanol is a useful stain in thin layer chromatography. Different chemical compounds on the plate can give different colors, allowing easy distinction. It is used as an intermediate in the synthesis of other compounds important in pharmaceuticals and perfumery. Found in anise oil, fennel and vanilla. Flavouring ingredient 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1]. 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1].

   

M-toluic Acid

beta-Bethylbenzoic acid

C8H8O2 (136.0524)


M-toluic Acid, also known as beta-Bethylbenzoic acid or m-Toluate, is classified as a member of the Benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. M-toluic Acid is considered to be slightly soluble (in water) and acidic CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4069; ORIGINAL_PRECURSOR_SCAN_NO 4066 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3095; ORIGINAL_PRECURSOR_SCAN_NO 3093 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3109; ORIGINAL_PRECURSOR_SCAN_NO 3105 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3097; ORIGINAL_PRECURSOR_SCAN_NO 3094 KEIO_ID M018

   

Acetylphenol

Acetic acid,phenyl ester

C8H8O2 (136.0524)


C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Phenyl acetate is an endogenous metabolite.

   

4-Hydroxyphenylacetaldehyde

2-(4-Hydroxyphenyl)acetaldehyde

C8H8O2 (136.0524)


4-Hydroxyphenylacetaldehyde is a byproduct of tyrosine metabolism. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

S-methyl D-thioglycerate

S-Methyl-1-thio-D-glycerate

C4H8O3S (136.0194)


   

Benzyl formate

Formic acid, phenylmethyl ester

C8H8O2 (136.0524)


Benzyl formate, also known as benzyl methanoate or BZO, belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl formate is an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl formate is an almond, apricot, and black tea tasting compound. Benzyl formate is found in coffee and coffee products. Benzyl formate occurs in essential oils. Benzyl formate is present in sour cherry, crowberry, Vaccinium species fruits, coffee, black tea, yellow passion fruit, Ocimum basilicum varieties, and other foods. Benzyl formate is used in perfumery and food flavouring. Benzyl formate occurs in essential oils. It is found in sour cherry, crowberry, Vaccinium spp. fruits, coffee, black tea, yellow passion fruit, Ocimum basilicum varieties and other foods. Used in perfumery and food flavouring.

   

3,4-Dihydroxystyrene

4-Vinylbenzene-1,2-diol

C8H8O2 (136.0524)


   

3-Vinylcatechol

2,3-Dihydroxy Styrene

C8H8O2 (136.0524)


   

piceol

InChI=1\C8H8O2\c1-6(9)7-2-4-8(10)5-3-7\h2-5,10H,1H

C8H8O2 (136.0524)


INTERNAL_ID 214; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3089; ORIGINAL_PRECURSOR_SCAN_NO 3087 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3087; ORIGINAL_PRECURSOR_SCAN_NO 3084 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3098; ORIGINAL_PRECURSOR_SCAN_NO 3095 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3092; ORIGINAL_PRECURSOR_SCAN_NO 3090 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3089; ORIGINAL_PRECURSOR_SCAN_NO 3087 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3095; ORIGINAL_PRECURSOR_SCAN_NO 3093 INTERNAL_ID 214; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3092; ORIGINAL_PRECURSOR_SCAN_NO 3090 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3160; ORIGINAL_PRECURSOR_SCAN_NO 3158 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1]. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1].

   

3-Methylsalicylaldehyde

2-Hydroxy-3-methylbenzaldehyde

C8H8O2 (136.0524)


   
   

Methyl benzoate

Methyl benzenecarboxylic acid

C8H8O2 (136.0524)


Methyl benzoate is an ester with the chemical formula C6H5COOCH3. It is formed by the condensation of methanol and benzoic acid. It is a colorless to slightly yellow liquid that is insoluble with water, but miscible with most organic solvents. Methyl benzoate is found in allspice. Methyl benzoate is present in various flower oils, banana, cherry, pimento berry, ceriman (Monstera deliciosa), clove bud and stem, mustard, coffee, black tea, dill, starfruit and cherimoya (Annona cherimola). Methyl benzoate is used in flavourings. It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study. Present in various flower oils, banana, cherry, pimento berry, ceriman (Monstera deliciosa), clove bud and stem, mustard, coffee, black tea, dill, starfruit and cherimoya (Annona cherimola). It is used in flavourings

   

4-Hydroxy-3-methylbenzaldehyde

4-Hydroxy-3-methylbenzaldehyde

C8H8O2 (136.0524)


   

Phenyl acetate

Phenyl ester OF acetic acid

C8H8O2 (136.0524)


Phenyl acetate, also known as acetylphenol, is an aromatic fatty acid metabolite of phenylalanine with potential antineoplastic activity. Naturally occurring in mammals, phenylacetate induces differentiation, growth inhibition, and apoptosis in tumor cells. Its mechanisms of action include decreased protein prenylation, activation of the peroxisome proliferation-activated receptors, inhibition of DNA methylation, and depletion of glutamine. Phenyl acetate belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Phenyl acetate has a phenolic-like taste. Flavouring ingredient in baked goods and candies Phenyl acetate is an endogenous metabolite.

   

(2R,3R)-2,3,4-trihydroxybutanoic acid

(2R,3R)-2,3,4-trihydroxybutanoic acid

C4H8O5 (136.0372)


   

Threonic acid

2S,3R,4-trihydroxy-butanoic acid

C4H8O5 (136.0372)


   

allopurinol

1H-Pyrazolo[3,4-d]pyrimidin-4-ol (9CI)

C5H4N4O (136.0385)


M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 2389 [Raw Data] CB202_Allopurinol_pos_50eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_40eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_30eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_20eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_10eV_rep000003.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3336 Allopurinol is a potent and orally active xanthine oxidase inhibitor with an IC50 value of 0.2-50 μM. Allopurinol can be used in the research of hyperuricemia and gout. Allopurinol decreases the expression of HIF-1α and HIF-2α protein. Allopurinol shows anti-depressant and anti-nociception activity. Anti-leishmanial effect[1][2][3][4][5].

   

2-Methoxybenzaldehyde

o-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard

C8H8O2 (136.0524)


2-Methoxybenzaldehyde is found in Chinese cinnamon. 2-Methoxybenzaldehyde is present in cinnamon (Cinnamomum zeylanicum). 2-Methoxybenzaldehyde is a flavouring ingredient. Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. (Wikipedia). Present in cinnamon (Cinnamomum zeylanicum). Flavouring ingredient 2-Methoxybenzaldehyde is a carbonyl compound. 2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1]. 2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].

   

AI3-15121

InChI=1/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H

C8H8O2 (136.0524)


2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy ketone and a monohydroxyacetophenone. 2-Hydroxyacetophenone is a natural product found in Carissa spinarum, Scutellaria baicalensis, and Carissa edulis with data available. 2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2]. 2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2].

   

3-Methoxybenzaldehyde

InChI=1/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H

C8H8O2 (136.0524)


3-Methoxybenzaldehyde is found in cloves. Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. (Wikipedia Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. 3-methoxybenzaldehyde is a member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. It has a role as a Brassica napus metabolite. It is a member of benzaldehydes and a monomethoxybenzene. 3-Methoxybenzaldehyde is a natural product found in Syzygium aromaticum with data available. A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. m-Anisaldehyde is an endogenous metabolite. m-Anisaldehyde is an endogenous metabolite.

   

2'-Hydroxyacetophenone

1-(2-Hydroxyphenyl)ethanone; Paracetamol Imp. I (EP); 2-Hydroxyacetophenone; Paracetamol Impurity I

C8H8O2 (136.0524)


2-Hydroxyacetophenone, also known as 2-acetylphenol or 2-hydroxyacetylbenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Hydroxyacetophenone is a sweet, hawthorne, and herbal tasting compound. 2-hydroxyacetophenone has been detected, but not quantified, in several different foods, such as chinese cinnamons, tea, coffee and coffee products, alcoholic beverages, and garden tomato. 2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols. 2-Hydroxyacetophenone is a natural product found in Castanopsis cuspidata, Mangifera indica, and other organisms with data available. Present in tomato, cassia (Cinnamomum cassia), fried beef, rum, whiskey, cocoa, coffee and black tea. Flavouring ingredient. 2-Hydroxyacetophenone is found in many foods, some of which are garden tomato, tea, chinese cinnamon, and herbs and spices. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.

   

Allopurinol

1,5-Dihydro-4H-pyrazolo(3,4-D)pyrimidine-4-one

C5H4N4O (136.0385)


Allopurinol is only found in individuals that have used or taken this drug. It is a xanthine oxidase inhibitor that decreases uric acid production. It also acts as an antimetabolite on some simpler organisms. [PubChem]Allopurinol and its active metabolite, oxypurinol, inhibits the enzyme xanthine oxidase, blocking the conversion of the oxypurines hypoxanthine and xanthine to uric acid. Elevated concentrations of oxypurine and oxypurine inhibition of xanthine oxidase through negative feedback results in a decrease in the concentrations of uric acid in the serum and urine. Allopurinol also facilitates the incorporation of hypoxanthine and xanthine into DNA and RNA, leading to a feedback inhibition of de novo purin synthesis and a decrease in serum uric acid concentrations as a result of an increase in nucleotide concentration. M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors Allopurinol is a potent and orally active xanthine oxidase inhibitor with an IC50 value of 0.2-50 μM. Allopurinol can be used in the research of hyperuricemia and gout. Allopurinol decreases the expression of HIF-1α and HIF-2α protein. Allopurinol shows anti-depressant and anti-nociception activity. Anti-leishmanial effect[1][2][3][4][5].

   

Erythronic acid

(R*,r*)-2,3,4-trihydroxy-butanoic acid

C4H8O5 (136.0372)


Erythronic acid is a sugar component of aqueous humour (eye). It may be derived from glycated proteins or from degradation of ascorbic acid. Erythronic acid is a normal organic acid present in a healthy adult and pediatric population. It has been found in urine, plasma, CSF, and synovial fluid (PMID: 14708889, 8087979, 8376520, 10420182). Erythronic acid is formed when N-acetyl-D-glucosamine (GlcNAc) is oxidized. GlcNAc is a constituent of hyaluronic acid (HA), a polysaccharide consisting of alternating units of glucuronic acid and GlcNAc, present as an aqueous solution in synovial fluid. In the synovial fluid of patients suffering from rheumatoid arthritis, HA is thought to be degraded either by radicals generated by Fenton chemistry (Fe2+/H2O2) or by NaOCl generated by myeloperoxidase (PMID: 10614067). Erythronic acid is a sugar component of aqueous humour (eye). It may be derived from glycated proteins or from degradation of ascorbic acid. Erythronic acid is a normal organic acid present in a healthy adult and pediatric population. It has been found in urine, plasma, CSF and synovial fluid. (PMID: 14708889, 8087979, 8376520, 10420182) Erythronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13752-84-6 (retrieved 2024-07-10) (CAS RN: 13752-84-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

2-Hydroxy-4-methylbenzaldehyde

2-Hydroxy-4-methyl-benzaldehyde

C8H8O2 (136.0524)


2-Hydroxy-4-methylbenzaldehyde is a flavouring ingredien Flavouring ingredient 2-Hydroxy-4-methylbenzaldehyde is an endogenous metabolite.

   

1-Pentanesulfenothioic acid

1-Pentanesulphenothioic acid

C5H12S2 (136.038)


1-Pentanesulfenothioic acid is found in chives. 1-Pentanesulfenothioic acid is a constituent of chives (Allium schoenoprasum) Constituent of chives (Allium schoenoprasum). 1-Pentanesulfenothioic acid is found in chives and onion-family vegetables.

   

(Z)-S-1-Propenyl methanesulfinothioate

Methanesulfinothioic acid, S-1-propenyl ester

C4H8OS2 (136.0017)


(Z)-S-1-Propenyl methanesulfinothioate is found in onion-family vegetables. (Z)-S-1-Propenyl methanesulfinothioate is a constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium species. Constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium subspecies (Z)-S-1-Propenyl methanesulfinothioate is found in garden onion, garlic, and onion-family vegetables.

   

S-Methyl 2-propene-1-sulfinothioate

2-Propenesulfinothioic acid S-methyl ester

C4H8OS2 (136.0017)


S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables. S-Methyl 2-propene-1-sulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables.

   

(Z)-S-Methyl 1-propenesulfinothioate

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

C4H8OS2 (136.0017)


(Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables. (Z)-S-Methyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies (Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables.

   

S-2-Propenyl methanesulfinothioate

S-2-Propenyl methanesulphinothioic acid

C4H8OS2 (136.0017)


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

   

Phenyl vinyl sulfide

(ethenylthio)Benzene, 9ci

C8H8S (136.0347)


Phenyl vinyl sulfide is found in animal foods. Phenyl vinyl sulfide is a component of beef arom Component of beef aroma. Phenyl vinyl sulfide is found in animal foods.

   

4-vinylresorcinol

4-vinylresorcinol

C8H8O2 (136.0524)


   

3-(3-Furanyl)-2-methyl-2-propenal

(2Z)-3-(furan-3-yl)-2-methylprop-2-enal

C8H8O2 (136.0524)


3-(3-Furanyl)-2-methyl-2-propenal is found in pulses. 3-(3-Furanyl)-2-methyl-2-propenal is a constituent of the aroma of carob bean (Ceratonia siliqua). Constituent of the aroma of carob bean (Ceratonia siliqua). 3-(3-Furanyl)-2-methyl-2-propenal is found in pulses.

   

Methyl 2-propenyl selenide

3-(Methylseleno)-1-propene, 9ci

C4H8Se (135.9791)


Methyl 2-propenyl selenide is found in onion-family vegetables. Methyl 2-propenyl selenide is a constituent of Allium sp

   

3-(5-Methyl-2-furyl)prop-2-enal

(e)-2-Methyl-3-(5-methyl-2-furyl)prop-2-enal

C8H8O2 (136.0524)


3-(5-Methyl-2-furyl)prop-2-enal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Ethyl propyl disulfide

1-(Ethyldisulphanyl)propane

C5H12S2 (136.038)


Constituent of Allium subspecies, Durio zibethinus (durian) and Nigella sativa (black cumin). Ethyl propyl disulfide is found in onion-family vegetables, herbs and spices, and fruits. Ethyl propyl disulfide is found in fruits. Ethyl propyl disulfide is a constituent of Allium species, Durio zibethinus (durian) and Nigella sativa (black cumin).

   

Ethyl isopropyl disulfide

Ethyl 1-methylethyl disulfide, 9ci

C5H12S2 (136.038)


Ethyl isopropyl disulfide is found in onion-family vegetables. Ethyl isopropyl disulfide is a constituent of Allium cepa (onion) juice. Constituent of Allium cepa (onion) juice. Ethyl isopropyl disulfide is found in garden onion and onion-family vegetables.

   

4-(2-Furanyl)-3-buten-2-one

3-Buten-2-one, 4-(2-furyl)-, polymers (8ci)

C8H8O2 (136.0524)


4-(2-Furanyl)-3-buten-2-one is found in alcoholic beverages. 4-(2-Furanyl)-3-buten-2-one is present in rum and coffee. 4-(2-Furanyl)-3-buten-2-one is a flavouring agent. Present in rum and coffee. Flavouring agent. 4-(2-Furanyl)-3-buten-2-one is found in alcoholic beverages and coffee and coffee products.

   

alpha-Methyl-2-furanacrolein

(2E)-3-(furan-2-yl)-2-methylprop-2-enal

C8H8O2 (136.0524)


alpha-Methyl-2-furanacrolein is found in fats and oils. alpha-Methyl-2-furanacrolein is a flavouring ingredient. alpha-Methyl-2-furanacrolein is a constituent of roasted sesame seed oil. Flavouring ingredient. Constituent of roasted sesame seed oil. alpha-Methyl-2-furanacrolein is found in fats and oils.

   

1,4-Benzodioxane

2,3-dihydro-1,4-benzodioxine

C8H8O2 (136.0524)


   

Tetrahydrothiophene-3-ol 1,1-dioxide

3-hydroxy-1lambda6-thiolane-1,1-dione

C4H8O3S (136.0194)


   

2-Chloro-1,1,1,2-tetrafluoroethane

1,1,1,2-tetrafluoro-2-Chloroethane

C2HClF4 (135.9703)


   

2-Hydroxypurine

2-hydroxypurine

C5H4N4O (136.0385)


   

2-Methylprop-2-ene-1-sulfonic acid

2-Methylprop-2-ene-1-sulphonic acid

C4H8O3S (136.0194)


   

2,3,4-Trihydroxybutanoic acid

2,3,4-trihydroxybutanoic acid

C4H8O5 (136.0372)


   

2,6-Dihydroxy-3-cyanopyridine

2-hydroxy-6-oxo-1,6-dihydropyridine-3-carbonitrile

C6H4N2O2 (136.0273)


   

9H-Purine-9-ol

9H-Purine-9-ol

C5H4N4O (136.0385)


   

Eniluracil

5-ethynyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

C6H4N2O2 (136.0273)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors Eniluracil (5-Ethynyluracil) is an orally active dihydropyrimidine dehydrogenase (DPD) inhibitor. Eniluracil irreversibly inhibits DPD, increases the oral bioavailability of 5-fluorouracil to 100\%, and facilitates the uniform absorption and toxicity of 5-fluorouracil. Eniluracil can be used in cancer research of combination with fluoropyrimidines (including 5-fluorouracil)[1][2]. Eniluracil is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

Furo[3,2-c]pyran-4-one

4H-furo[3,2-c]pyran-4-one

C7H4O3 (136.016)


   

Imidazotetrazinone

6H-imidazo[4,5-e][1,2,3,4]tetrazin-6-one

C3N6O (136.0134)


   

Isobutyl chloroformate

Chloroformic acid isobutyl ester

C5H9ClO2 (136.0291)


   

Medina

nitro[(nitroamino)methyl]amine

CH4N4O4 (136.0233)


   

N-Oxo-3-pyridinecarboxamide

N-Oxo-3-pyridinecarboxamide

C6H4N2O2 (136.0273)


   

Oxonol

oxonin-2-ol

C8H8O2 (136.0524)


   

Amino (2R)-2-amino-3-sulfanylpropanoate

Amino (2R)-2-amino-3-sulphanylpropanoic acid

C3H8N2O2S (136.0306)


   

Methyl-trans-1-propenyl thiosulfinate

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

C4H8OS2 (136.0017)


Methyl-1-propenyl thiosulfinate 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). Methyl-1-propenyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl-1-propenyl thiosulfinate can be found in soft-necked garlic, which makes methyl-1-propenyl thiosulfinate a potential biomarker for the consumption of this food product.

   

trans-1-Propenyl methyl thiosulfinate

(1E)-1-(Methanesulphinylsulphanyl)prop-1-ene

C4H8OS2 (136.0017)


Trans-1-propenyl methyl thiosulfinate 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). Trans-1-propenyl methyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-1-propenyl methyl thiosulfinate can be found in soft-necked garlic, which makes trans-1-propenyl methyl thiosulfinate a potential biomarker for the consumption of this food product.

   

4-aminobenzoate

4-Aminobenzoic acid, ion(1-)

C7H6NO2- (136.0399)


4-aminobenzoate, also known as para-aminobenzoic acid or paba, is a member of the class of compounds known as aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 4-aminobenzoate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-aminobenzoate can be found in a number of food items such as babassu palm, nectarine, java plum, and black cabbage, which makes 4-aminobenzoate a potential biomarker for the consumption of these food products. Aminobenzoic acid (a benzoic acid with an amino group) can refer to: 4-Aminobenzoic acid (p-aminobenzoic acid or para-aminobenzoic acid) 3-Aminobenzoic acid (m-aminobenzoic acid or meta-aminobenzoic acid) 2-aminobenzoic acid (o-aminobenzoic acid or ortho-aminobenzoic acid, Anthranilic acid) .

   

PHENYLACETIC ACID

2-phenylacetic acid

C8H8O2 (136.0524)


D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

hypoxanthine

hypoxanthine

C5H4N4O (136.0385)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor COVID info from COVID-19 Disease Map C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.

   

4-Methoxybenzaldehyde

p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard

C8H8O2 (136.0524)


4-Methoxybenzaldehyde, also known as 4-anisaldehyde or p-formylanisole, belongs to the class of organic compounds known as benzoyl derivatives, with the chemical formula CH3OC6H4CHO. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Anisaldehyde is prepared commercially by oxidation of 4-methoxytoluene (p-cresyl methyl ether) using manganese dioxide to convert a methyl group to the aldehyde group. 4-Methoxybenzaldehyde is a sweet, almond, and anise tasting compound. 4-Methoxybenzaldehyde can be found, on average, in the highest concentration within a few different foods, such as cumins, star anises, and fennels. 4-Methoxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cornmints, anises, herbs and spices, tarragons, and tea. The related ortho isomer has a scent of licorice. It is a colorless liquid with a strong aroma. A solution of para-anisaldehyde in acid and ethanol is a useful stain in thin layer chromatography. Different chemical compounds on the plate can give different colors, allowing easy distinction. It is used as an intermediate in the synthesis of other compounds important in pharmaceuticals and perfumery. P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a human urinary metabolite, a plant metabolite and a bacterial metabolite. 4-Methoxybenzaldehyde is a natural product found in Vanilla pompona, Solidago odora, and other organisms with data available. See also: Anise Oil (part of). Found in anise oil, fennel and vanilla. Flavouring ingredient 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1]. 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1].

   

3-ACETYLPHENOL

3-Hydroxyacetophenone

C8H8O2 (136.0524)


3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2]. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2].

   

METHYL BENZOATE

METHYL BENZOATE

C8H8O2 (136.0524)


A benzoate ester obtained by condensation of benzoic acid and methanol.

   

trans-3-Methylsulfonyl-2-propenol

trans-3-Methylsulfonyl-2-propenol

C4H8O3S (136.0194)


   

m-Anisaldehyde

m-Methoxybenzaldehyde

C8H8O2 (136.0524)


m-Anisaldehyde is an endogenous metabolite. m-Anisaldehyde is an endogenous metabolite.

   

2,3-Dimethylquinone

2,3-Dimethylquinone

C8H8O2 (136.0524)


   

2,5-Dimethyl-1,4-benzoquinone

2,5-Dimethyl-1,4-benzoquinone

C8H8O2 (136.0524)


   

1-phenylethene-1,2-diol

1-phenylethene-1,2-diol

C8H8O2 (136.0524)


   

(E)- 6-(1-Propenyl)-2H-pyran-2-one|6-(1-Propenyl)-2H-pyran-2-one|6-(prop-1-enyl)pyran-2-one|Sibirinon|sibirinone

(E)- 6-(1-Propenyl)-2H-pyran-2-one|6-(1-Propenyl)-2H-pyran-2-one|6-(prop-1-enyl)pyran-2-one|Sibirinon|sibirinone

C8H8O2 (136.0524)


   

Methylthiomethyl acetyl sulfide

Methylthiomethyl acetyl sulfide

C4H8OS2 (136.0017)


   

Methyl sec-butyl disulfide

Methyl sec-butyl disulfide

C5H12S2 (136.038)


   

1,3-dithiane 1-oxide

1,3-dithiane 1-oxide

C4H8OS2 (136.0017)


   

Ethyl-1,4-benzoquinone

Ethyl-1,4-benzoquinone

C8H8O2 (136.0524)


   

2-Fluorosuccinic acid

2-Fluorosuccinic acid

C4H5FO4 (136.0172)


   

2,3-dihydrobenzofuran-5-ol

2,3-dihydrobenzofuran-5-ol

C8H8O2 (136.0524)


   

2-Hydroxy-6-methylbenzaldehyde

2-Hydroxy-6-methylbenzaldehyde

C8H8O2 (136.0524)


   

3-(2-Thienyl) propargyl aldehyde

3-(2-Thienyl) propargyl aldehyde

C7H4OS (135.9983)


   

DTXSID70798624

DTXSID70798624

C4H8O3S (136.0194)


   

2-Methoxytropone

2-Methoxytropone

C8H8O2 (136.0524)


   

Piceol

4-Hydroxyacetophenone (Acetaminophen Impurity E), Pharmaceutical Secondary Standards; Certified Reference Material

C8H8O2 (136.0524)


4-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4. It has a role as a plant metabolite, a fungal metabolite and a mouse metabolite. 4-Hydroxyacetophenone is a natural product found in Ficus erecta var. beecheyana, Artemisia ordosica, and other organisms with data available. A monohydroxyacetophenone carrying a hydroxy substituent at position 4. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1]. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1].

   

3-Hydroxyacetophenone

Etilefrine Hydrochloride Imp. E (EP); Etilefrine Imp. E (EP); 1-(3-Hydroxyphenyl)ethanone; 3-Hydroxyacetophenone; Etilefrine Hydrochloride Impurity E; Etilefrine Impurity E

C8H8O2 (136.0524)


3-Hydroxyacetophenone is a natural product found in Vincetoxicum paniculatum, Dianthus caryophyllus, and other organisms with data available. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2]. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2].

   

4-Methoxybenzaldehyde

p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard

C8H8O2 (136.0524)


4-Methoxybenzaldehyde, also known as 4-anisaldehyde or p-formylanisole, belongs to the class of organic compounds known as benzoyl derivatives, with the chemical formula CH3OC6H4CHO. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Anisaldehyde is prepared commercially by oxidation of 4-methoxytoluene (p-cresyl methyl ether) using manganese dioxide to convert a methyl group to the aldehyde group. 4-Methoxybenzaldehyde is a sweet, almond, and anise tasting compound. 4-Methoxybenzaldehyde can be found, on average, in the highest concentration within a few different foods, such as cumins, star anises, and fennels. 4-Methoxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cornmints, anises, herbs and spices, tarragons, and tea. The related ortho isomer has a scent of licorice. It is a colorless liquid with a strong aroma. A solution of para-anisaldehyde in acid and ethanol is a useful stain in thin layer chromatography. Different chemical compounds on the plate can give different colors, allowing easy distinction. It is used as an intermediate in the synthesis of other compounds important in pharmaceuticals and perfumery. P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a human urinary metabolite, a plant metabolite and a bacterial metabolite. 4-Methoxybenzaldehyde is a natural product found in Vanilla pompona, Solidago odora, and other organisms with data available. See also: Anise Oil (part of). Found in anise oil, fennel and vanilla. Flavouring ingredient 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1]. 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1].

   

hypoxanthine

hypoxanthine

C5H4N4O (136.0385)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor A purine nucleobase that consists of purine bearing an oxo substituent at position 6. COVID info from COVID-19 Disease Map C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; FDGQSTZJBFJUBT_STSL_0163_Hypoxanthine_0125fmol_180430_S2_LC02_MS02_115; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.

   

PHENYLACETIC ACID

2-phenylacetic acid

C8H8O2 (136.0524)


A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

2-Hydroxyacetophenone

2-Hydroxyacetophenone

C8H8O2 (136.0524)


   

4-Aminobenzoic acid

4-Aminobenzoic acid

C7H6NO2 (136.0399)


   

Hypoxanthine; LC-tDDA; CE10

Hypoxanthine; LC-tDDA; CE10

C5H4N4O (136.0385)


   

Hypoxanthine; LC-tDDA; CE20

Hypoxanthine; LC-tDDA; CE20

C5H4N4O (136.0385)


   

Hypoxanthine; LC-tDDA; CE30

Hypoxanthine; LC-tDDA; CE30

C5H4N4O (136.0385)


   

Hypoxanthine; LC-tDDA; CE40

Hypoxanthine; LC-tDDA; CE40

C5H4N4O (136.0385)


   

p-Anisaldehyde

p-Anisaldehyde

C8H8O2 (136.0524)


   

O-TOLUIC ACID

2-Methylbenzoic acid

C8H8O2 (136.0524)


A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2. o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid?substituted by a?methyl?group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.

   
   

hypoxanthine

hypoxanthine

C5H4N4O1 (136.0385)


   

D-threonic acid

2,2,4-trihydroxy-butanoic acid

C4H8O5 (136.0372)


   

DL-erythronic acid

2,3,4-trihydroxy-butanoic acid

C4H8O5 (136.0372)


   

Erythronic acid

2R,3R,4-trihydroxy-butanoic acid

C4H8O5 (136.0372)


   

3-Hydroxysulfolane

Tetrahydro-3-thiopheneol 1,1-dioxide

C4H8O3S (136.0194)


   

Allyl methyl selenide

3-(Methylseleno)-1-propene, 9ci

C4H8Se (135.9791)


   

Pentyl hydrodisulfide

1-Pentanesulfenothioic acid

C5H12S2 (136.038)


   

3-Anisaldehyde

Metamethoxybenzaldehyde

C8H8O2 (136.0524)


m-Anisaldehyde is an endogenous metabolite. m-Anisaldehyde is an endogenous metabolite.

   

Vinylthiobenzene

(ethenylthio)Benzene, 9ci

C8H8S (136.0347)


   

3-(5-Methyl-2-furyl)prop-2-enal

(e)-2-Methyl-3-(5-methyl-2-furyl)prop-2-enal

C8H8O2 (136.0524)


   

Glycolophenone

Acetophenone, 2'-hydroxy- (8CI)

C8H8O2 (136.0524)


2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.

   

FEMA 3697

2-Hydroxy-4-methyl-benzaldehyde

C8H8O2 (136.0524)


2-Hydroxy-4-methylbenzaldehyde is an endogenous metabolite.

   

S-Methyl 2-propene-1-sulfinothioate

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

C4H8OS2 (136.0017)


   

Allyl methanethiosulfinate

3-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

S-Methyl 1-propenesulfinothioate

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

C4H8OS2 (136.0017)


   

S-1-Propenyl methanesulfinothioate

(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

Ethyl propyl disulphide

1-(Ethyldisulfanyl)propane

C5H12S2 (136.038)


   

Ethyl isopropyl disulfide

Ethyl 1-methylethyl disulfide, 9ci

C5H12S2 (136.038)


   

&beta

3-Buten-2-one, 4-(2-furyl)-, polymers (8ci)

C8H8O2 (136.0524)


   

o-Anisaldehyde

2-Methoxybenzenecarboxaldehyde

C8H8O2 (136.0524)


2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1]. 2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].

   

Clorius

Methyl benzoate [UN2938] [Keep away from food]

C8H8O2 (136.0524)


   

FEMA 2704

(2E)-3-(furan-2-yl)-2-methylprop-2-enal

C8H8O2 (136.0524)


   

a-Methyl-3-furanacrolein, 8ci

(2Z)-3-(furan-3-yl)-2-methylprop-2-enal

C8H8O2 (136.0524)


   

5-Chloropentanoic acid

5-chloro-n-valeric acid;5-chloro-pentanoic acid;5-chloro-valeric acid;5-chlorovaleric acid;omega-chloropentanoic acid;omega-chlorovaleric acid

C5H9O2Cl (136.0291)


   

Thiophene, 3-ethynyl-2,5-dimethyl- (9CI)

Thiophene, 3-ethynyl-2,5-dimethyl- (9CI)

C8H8S (136.0347)


   

Sulfamide, cyclopropyl- (9CI)

Sulfamide, cyclopropyl- (9CI)

C3H8N2O2S (136.0306)


   

3-Pyridinecarbonitrile,1,2-dihydro-2-thioxo-

3-Pyridinecarbonitrile,1,2-dihydro-2-thioxo-

C6H4N2S (136.0095)


   

1H-Imidazo[4,5-b]pyrazin-5-ol (7CI)

1H-Imidazo[4,5-b]pyrazin-5-ol (7CI)

C5H4N4O (136.0385)


   

potassium,(1E,3E)-5-oxopenta-1,3-dien-1-olate

potassium,(1E,3E)-5-oxopenta-1,3-dien-1-olate

C5H5KO2 (135.9927)


   

Methyltrimethoxysilane

Methyltrimethoxysilane

C4H12O3Si (136.0556)


   

2-(CHLOROMETHYL)-3,5-DIOXAHEX-1-ENE

2-(CHLOROMETHYL)-3,5-DIOXAHEX-1-ENE

C5H9ClO2 (136.0291)


   

5-Thiazolamine hydrochloride

5-Thiazolamine hydrochloride

C3H5ClN2S (135.9862)


   

8-Fluoroimidazo[1,2-a]pyridine

8-Fluoroimidazo[1,2-a]pyridine

C7H5FN2 (136.0437)


   

2,2-Difluoro-1-methylcyclopropanecarboxylic acid

2,2-Difluoro-1-methylcyclopropanecarboxylic acid

C5H6F2O2 (136.0336)


   

THIAZOLO[5,4-B]PYRIDINE

THIAZOLO[5,4-B]PYRIDINE

C6H4N2S (136.0095)


   

DL-Aspartic acid-d3

DL-Aspartic acid-d3

C4H4D3NO4 (136.0563)


   

(R)-2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

(R)-2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

C5H9ClO2 (136.0291)


   

2-Thioxo-1,2-dihydro-4-pyridinecarbonitrile

2-Thioxo-1,2-dihydro-4-pyridinecarbonitrile

C6H4N2S (136.0095)


   

3,3-DIFLUORO-PENTANE-2,4-DIONE

3,3-DIFLUORO-PENTANE-2,4-DIONE

C5H6F2O2 (136.0336)


   

1,2,3-Benzothiadiazole

1,2,3-Benzothiadiazole

C6H4N2S (136.0095)


   

Propanoic acid,3-chloro-2,2-dimethyl-

Propanoic acid,3-chloro-2,2-dimethyl-

C5H9ClO2 (136.0291)


   

2-Hydroxy-5-methylbenzaldehyde

2-Hydroxy-5-methylbenzaldehyde

C8H8O2 (136.0524)


   

Propyl chloroacetate

Propyl chloroacetate

C5H9ClO2 (136.0291)


   

2-Bromo-2-methylpropane

2-Bromo-2-methylpropane

C4H9Br (135.9888)


   

sec-Butyl carbonochloridate

sec-Butyl carbonochloridate

C5H9ClO2 (136.0291)


   

2,6-dimethyl-p-benzoquinone

2,6-dimethyl-p-benzoquinone

C8H8O2 (136.0524)


   

3-Cyano-4-fluoroaniline

3-Cyano-4-fluoroaniline

C7H5FN2 (136.0437)


   

4-CHLOROMETHYL-[1,3]DIOXANE

4-CHLOROMETHYL-[1,3]DIOXANE

C5H9ClO2 (136.0291)


   

5-Cyano-1H-imidazole-4-carboxamide Hydrate

5-Cyano-1H-imidazole-4-carboxamide Hydrate

C5H4N4O (136.0385)


   

3-(Trifluoromethyl)pyrazole

3-(Trifluoromethyl)pyrazole

C4H3F3N2 (136.0248)


   

Ethyl 3-chloropropanoate

Ethyl 3-chloropropanoate

C5H9ClO2 (136.0291)


   

Isopropyl chloroacetate

Isopropyl chloroacetate

C5H9ClO2 (136.0291)


   

2,1,3-Benzothiadiazole

2,1,3-Benzothiadiazole

C6H4N2S (136.0095)


   

propyldimethylchlorosilane

propyldimethylchlorosilane

C5H13ClSi (136.0475)


   

(S)-3-Aminopyrrolidin-2-one hydrochloride

(S)-3-Aminopyrrolidin-2-one hydrochloride

C4H9ClN2O (136.0403)


   

adenine-2-d1

adenine-2-d1

C5H4DN5 (136.0608)


   

S-2-chlorovaleric acid

S-2-chlorovaleric acid

C5H9ClO2 (136.0291)


   

6-Fluoro-7-azaindole

6-Fluoro-7-azaindole

C7H5FN2 (136.0437)


   

4-(Aminooxy)butanenitrile hydrochloride (1:1)

4-(Aminooxy)butanenitrile hydrochloride (1:1)

C4H9ClN2O (136.0403)


   

SODIUM CYCLOPENTANE CARBOXYLATE

SODIUM CYCLOPENTANE CARBOXYLATE

C6H9NaO2 (136.05)


   

2,3-Oxiranedimethanethiol

2,3-Oxiranedimethanethiol

C4H8OS2 (136.0017)


   

5-HYDROXYBENZOFURAZAN

5-HYDROXYBENZOFURAZAN

C6H4N2O2 (136.0273)


   

2-Acetoxyacetyl chloride

2-Acetoxyacetyl chloride

C4H5ClO3 (135.9927)


   

1H-Benzimidazole,7-fluoro-

1H-Benzimidazole,7-fluoro-

C7H5FN2 (136.0437)


   

Isopropyl Dimethyl Chlorosilane

Isopropyl Dimethyl Chlorosilane

C5H13ClSi (136.0475)


   

Phenylacetic acid-1,2-13C2

Phenylacetic acid-1,2-13C2

C8H8O2 (136.0524)


   

1H-Pyrazolo[3,4-d]pyridazin-4(5H)-one

1H-Pyrazolo[3,4-d]pyridazin-4(5H)-one

C5H4N4O (136.0385)


   

Isothiazol-4-amine hydrochloride

Isothiazol-4-amine hydrochloride

C3H5ClN2S (135.9862)


   

[3-(Chloromethyl)-3-oxetanyl]methanol

[3-(Chloromethyl)-3-oxetanyl]methanol

C5H9ClO2 (136.0291)


   

4-Fluoro-1H-indazole

4-Fluoro-1H-indazole

C7H5FN2 (136.0437)


   

3-chloro-5-hydroxypentan-2-one

3-chloro-5-hydroxypentan-2-one

C5H9ClO2 (136.0291)


   

2,3-dihydro-1-benzofuran-4-ol

2,3-dihydro-1-benzofuran-4-ol

C8H8O2 (136.0524)


   

6-Fluoroindazole

6-Fluoroindazole

C7H5FN2 (136.0437)


   

5-Cyano-2-fluoro-6-methylpyridine

5-Cyano-2-fluoro-6-methylpyridine

C7H5FN2 (136.0437)


   

5-methyloxathiolane 2,2-dioxide

5-methyloxathiolane 2,2-dioxide

C4H8O3S (136.0194)


   

5-chloro-2-hydroxy-3-methylbenzaldehyde

5-chloro-2-hydroxy-3-methylbenzaldehyde

C8H8O2 (136.0524)


   

4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

C4H8O3S (136.0194)


   

(R)-3-AMINOPYRROLIDIN-2-ONE HYDROCHLORIDE

(R)-3-AMINOPYRROLIDIN-2-ONE HYDROCHLORIDE

C4H9ClN2O (136.0403)


   

3-Aminopyrrolidin-2-one hydrochloride

3-Aminopyrrolidin-2-one hydrochloride

C4H9ClN2O (136.0403)


   

5-Fluor-1H-pyrrolo[2,3-b]pyridin

5-Fluor-1H-pyrrolo[2,3-b]pyridin

C7H5FN2 (136.0437)


   

1,4-Butane sultone

1,4-Butane sultone

C4H8O3S (136.0194)


   

1,3-DIHYDROBENZO[C]THIOPHENE

1,3-DIHYDROBENZO[C]THIOPHENE

C8H8S (136.0347)


   

aminoguanidine carbonate

aminoguanidine carbonate

C2H8N4O3 (136.0596)


   

L-Aspartic acid-d3

L-Aspartic acid-d3

C4H4D3NO4 (136.0563)


   

1H-Benzimidazole,6-fluoro-

1H-Benzimidazole,6-fluoro-

C7H5FN2 (136.0437)


   

5-Fluoro-1H-indazole

5-Fluoro-1H-indazole

C7H5FN2 (136.0437)


   

3-Hydroxy-4-methylbenzaldehyde

3-Hydroxy-4-methylbenzaldehyde

C8H8O2 (136.0524)


   

1,1-difluoroacetylacetone

1,1-difluoroacetylacetone

C5H6F2O2 (136.0336)


   

5-Chlorovaleric acid

5-Chloropentanoic acid

C5H9ClO2 (136.0291)


   

6,7-Dihydro-4(5H)-benzofuranone

6,7-Dihydro-4(5H)-benzofuranone

C8H8O2 (136.0524)


   

1,5-Pentanedithiol

1,5-Pentanedithiol

C5H12S2 (136.038)


   

sodium,2,2,2-trifluoroacetate

sodium,2,2,2-trifluoroacetate

C2F3NaO2 (135.9748)


   

3,4-Methylenedioxytoluene

3,4-Methylenedioxytoluene

C8H8O2 (136.0524)


   

Thieno[2,3-b]pyrazine

Thieno[2,3-b]pyrazine

C6H4N2S (136.0095)


   

3-Amino-2-fluorobenzonitrile

3-Amino-2-fluorobenzonitrile

C7H5FN2 (136.0437)


   

2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide

C3H8N2O2S (136.0306)


   

(2H2)Sulfuric acid - (2H4)hydrazine (1:1)

(2H2)Sulfuric acid - (2H4)hydrazine (1:1)

D6N2O4S (136.0425)


   

6-fluoro-1H-pyrrolo[3,2-c]pyridine

6-fluoro-1H-pyrrolo[3,2-c]pyridine

C7H5FN2 (136.0437)


   

OXAZOLO[5,4-B]PYRIDIN-2(1H)-ONE

OXAZOLO[5,4-B]PYRIDIN-2(1H)-ONE

C6H4N2O2 (136.0273)


   

4-AMINOPYRROLIDIN-2-ONE HYDROCHLORIDE

4-AMINOPYRROLIDIN-2-ONE HYDROCHLORIDE

C4H9ClN2O (136.0403)


   

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

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

C7H5FN2 (136.0437)


   

m-chlorophenylacetylene

m-chlorophenylacetylene

C8H5Cl (136.008)


   

5,6-dihydro-4H-1-benzofuran-7-one

5,6-dihydro-4H-1-benzofuran-7-one

C8H8O2 (136.0524)


   

Sodium perfluoroacetate

Sodium perfluoroacetate

C2F3NaO2 (135.9748)


   

3-PYRIDYL ISOTHIOCYANATE

3-PYRIDYL ISOTHIOCYANATE

C6H4N2S (136.0095)


   

Oxazolo[5,4-c]pyridin-2(1H)-one

Oxazolo[5,4-c]pyridin-2(1H)-one

C6H4N2O2 (136.0273)


   

5-(2-FURANYL)-1H-TETRAZOLE

5-(2-FURANYL)-1H-TETRAZOLE

C5H4N4O (136.0385)


   

7-Hydroxypyrazolo[4,3-d]pyrimidine

7-Hydroxypyrazolo[4,3-d]pyrimidine

C5H4N4O (136.0385)


   

7H-PURIN-8-OL

7H-PURIN-8-OL

C5H4N4O (136.0385)


   

Propanedinitrile,2-(1,3-dioxolan-2-ylidene)-

Propanedinitrile,2-(1,3-dioxolan-2-ylidene)-

C6H4N2O2 (136.0273)


   

1-Hydroxy-7-azabenzotriazole

1-Hydroxy-7-azabenzotriazole

C5H4N4O (136.0385)


   

Pyridine,2-isothiocyanato-

Pyridine,2-isothiocyanato-

C6H4N2S (136.0095)


   

Benzofuroxan

Benzofuroxan

C6H4N2O2 (136.0273)


   

Dihydroxymalonic acid

Dihydroxymalonic acid

C3H4O6 (136.0008)


   

5-Fluoro-1-benzofuran

5-Fluoro-1-benzofuran

C8H5FO (136.0324)


   

6-Methylsalicylaldehyde

6-Methylsalicylaldehyde

C8H8O2 (136.0524)


   

2-HYDROXY-5-METHYL-BENZALDEHYDE

2-HYDROXY-5-METHYL-BENZALDEHYDE

C8H8O2 (136.0524)


   

Thiazol-4-amine hydrochloride

Thiazol-4-amine hydrochloride

C3H5ClN2S (135.9862)


   

5-fluoro-2-methylpyridine-3-carbonitrile

5-fluoro-2-methylpyridine-3-carbonitrile

C7H5FN2 (136.0437)


   

5-cyano-1H-pyrrole-2-carboxylic acid

5-cyano-1H-pyrrole-2-carboxylic acid

C6H4N2O2 (136.0273)


   

2-Amino-6-fluorobenzonitrile

2-Amino-6-fluorobenzonitrile

C7H5FN2 (136.0437)


   

3,6-Pyridazinedicarboxaldehyde

3,6-Pyridazinedicarboxaldehyde

C6H4N2O2 (136.0273)


   

2,2-Difluoropent-4-enoic acid

2,2-Difluoropent-4-enoic acid

C5H6F2O2 (136.0336)


   

ethylene-d4-diamine dihydrochloride

ethylene-d4-diamine dihydrochloride

C2H6Cl2D4N2 (136.0472)


   

sodium acetate trihydrate

sodium acetate trihydrate

C2H9NaO5 (136.0348)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

METHYL 2-CHLOROBUTYRATE

Methyl 2-chlorobutanoate

C5H9ClO2 (136.0291)


   

Carbamodithioic acid,(2-aminoethyl)-

Carbamodithioic acid,(2-aminoethyl)-

C3H8N2S2 (136.0129)


   

(1-Chloroethyl)(trimethyl)silane

(1-Chloroethyl)(trimethyl)silane

C5H13ClSi (136.0475)


   

UNII:LXW30UR82C

UNII:LXW30UR82C

C5H9ClO2 (136.0291)


   

2,5-Dimethylquinone

2,5-Dimethylquinone

C8H8O2 (136.0524)


   

3-(HYDROXYMETHYL)BENZALDEHYDE

3-(HYDROXYMETHYL)BENZALDEHYDE

C8H8O2 (136.0524)


   

sodium perborate trihydrate

sodium perborate trihydrate

BH6NaO6 (136.0155)


   

thienopyrimidine

thienopyrimidine

C6H4N2S (136.0095)


   

Thieno[2,3-d]pyrimidine

Thieno[2,3-d]pyrimidine

C6H4N2S (136.0095)


   

4-Fluoro-7-azaindole

4-Fluoro-7-azaindole

C7H5FN2 (136.0437)


   

5-Amino-3-fluorobenzonitrile

5-Amino-3-fluorobenzonitrile

C7H5FN2 (136.0437)


   

Ethyl Isopropyl Sulfone

Ethyl Isopropyl Sulfone

C5H12O2S (136.0558)


   

[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-OL

[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-OL

C5H4N4O (136.0385)


   

2-(Trifluoromethyl)-1H-imidazole

2-(Trifluoromethyl)-1H-imidazole

C4H3F3N2 (136.0248)


   

3-Hydroxy-5-methylbenzaldehyde

3-Hydroxy-5-methylbenzaldehyde

C8H8O2 (136.0524)


   

1-Azetidinesulfonamide

1-Azetidinesulfonamide

C3H8N2O2S (136.0306)


   

Sodium acetate hydrate

Sodium acetate hydrate

C2H9NaO5 (136.0348)


   

1H-Pyrazolo[3,4-c]pyridazin-3(2H)-one

1H-Pyrazolo[3,4-c]pyridazin-3(2H)-one

C5H4N4O (136.0385)


   

1,3-bis(methylsulfanyl)propane

1,3-bis(methylsulfanyl)propane

C5H12S2 (136.038)


   

4-Amino-2-fluorobenzonitrile

4-Amino-2-fluorobenzonitrile

C7H5FN2 (136.0437)


   

Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one

Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one

C5H4N4O (136.0385)


   

N-(2-Aminoethyl)-2-chloroacetamide

N-(2-Aminoethyl)-2-chloroacetamide

C4H9ClN2O (136.0403)


   

1,4-Thioxane-1,1-dioxide

1,4-Oxathiane, 4,4-dioxide

C4H8O3S (136.0194)


   

2-hydroxy-3-methylsulfanylpropanoic acid

2-hydroxy-3-methylsulfanylpropanoic acid

C4H8O3S (136.0194)


   

7-Fluoro-1H-indazole

7-Fluoro-1H-indazole

C7H5FN2 (136.0437)


   

2-(hydroxymethyl)benzaldehyde

2-(hydroxymethyl)benzaldehyde

C8H8O2 (136.0524)


   

2-Propanone,1-(methylsulfonyl)-

2-Propanone,1-(methylsulfonyl)-

C4H8O3S (136.0194)


   

2-(METHANESULPHONYL)ACETAMIDINE

2-(METHANESULPHONYL)ACETAMIDINE

C3H8N2O2S (136.0306)


   

4-(Trifluoromethyl)-1H-pyrazole

4-(Trifluoromethyl)-1H-pyrazole

C4H3F3N2 (136.0248)


   

5-Pyrimidinecarbonitrile,2-amino-1,4-dihydro-4-oxo-(8ci,9ci)

5-Pyrimidinecarbonitrile,2-amino-1,4-dihydro-4-oxo-(8ci,9ci)

C5H4N4O (136.0385)


   

2,3-Dimethyl-1,4-benzoquinone

2,3-Dimethyl-1,4-benzoquinone

C8H8O2 (136.0524)


   

Sodium 3,5-dioxotetrahydro-2H-pyran-4-ide

Sodium 3,5-dioxotetrahydro-2H-pyran-4-ide

C5H5NaO3 (136.0136)


   

3,3-Difluorocyclobutanecarboxylic acid

3,3-Difluorocyclobutanecarboxylic acid

C5H6F2O2 (136.0336)


   

ethyl (s)-2-chloro propionate

ethyl (s)-2-chloro propionate

C5H9ClO2 (136.0291)


   

1H-Indazole, 3-fluoro-

1H-Indazole, 3-fluoro-

C7H5FN2 (136.0437)


   

Chlorotetrafluoroethane

Chlorotetrafluoroethane

C2HClF4 (135.9703)


   

7-Fluoro-1H-pyrrolo[3,2-c]pyridine

7-Fluoro-1H-pyrrolo[3,2-c]pyridine

C7H5FN2 (136.0437)


   

(2S)-2-Chloro-3-methylbutanoic acid

(2S)-2-Chloro-3-methylbutanoic acid

C5H9ClO2 (136.0291)


   

Methyl 3-chloro-3-oxopropanoate

Methyl 3-chloro-3-oxopropanoate

C4H5ClO3 (135.9927)


   

2,3-DIHYDROBENZOFURAN-6-OL

2,3-DIHYDROBENZOFURAN-6-OL

C8H8O2 (136.0524)


   

1,4-Benzodioxan

1,4-Benzodioxane

C8H8O2 (136.0524)


   

bis(dimethylphosphino)methane

bis(dimethylphosphino)methane

C5H14P2 (136.0571)


   

2-Amino-5-fluorobenzonitrile

2-Amino-5-fluorobenzonitrile

C7H5FN2 (136.0437)


   

5-Ethynylthiophene-2-carbaldehyde

5-Ethynylthiophene-2-carbaldehyde

C7H4OS (135.9983)


   

6-fluoroimidazo[1,2-a]pyridine

6-fluoroimidazo[1,2-a]pyridine

C7H5FN2 (136.0437)


   

7-fluoro-Benzofuran

7-fluoro-Benzofuran

C8H5FO (136.0324)


   

5 5-dimethyl-1 3 2-dioxaphosphorinan-2-&

5 5-dimethyl-1 3 2-dioxaphosphorinan-2-&

C4H9O3P (136.0289)


   

4-Hydroxymethylbenzaldehyde

4-Hydroxymethylbenzaldehyde

C8H8O2 (136.0524)


   

3-ethylsulfanylpropane-1,2-diol

3-ethylsulfanylpropane-1,2-diol

C5H12O2S (136.0558)


   

[3,3]BIISOXAZOLYL

[3,3]BIISOXAZOLYL

C6H4N2O2 (136.0273)


   

spiro[3.4]oct-6-ene-1,3-dione

spiro[3.4]oct-6-ene-1,3-dione

C8H8O2 (136.0524)


   

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

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

C5H9ClO2 (136.0291)


   

2-(6-fluoropyridin-2-yl)acetonitrile

2-(6-fluoropyridin-2-yl)acetonitrile

C7H5FN2 (136.0437)


   

Aminoguanidine bicarbonate

Aminoguanidine bicarbonate

C2H8N4O3 (136.0596)


   

(R)-2-chloropropanoic acid ethyl ester

(R)-2-chloropropanoic acid ethyl ester

C5H9ClO2 (136.0291)


   

4-Chlorophenylacetylene

4-Chlorophenylacetylene

C8H5Cl (136.008)


   

2-Bromobutane

2-Bromobutane

C4H9Br (135.9888)


   

1H-1,2,3-Triazolo[4,5-b]pyridin-6-ol(9CI)

1H-1,2,3-Triazolo[4,5-b]pyridin-6-ol(9CI)

C5H4N4O (136.0385)


   

3-Chloropropyl acetate

3-Chloropropyl acetate

C5H9ClO2 (136.0291)


   

2-Hydroxy-3-methylbenzaldehyde

2-Hydroxy-3-methylbenzaldehyde

C8H8O2 (136.0524)


   

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

2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one

C6H4N2O2 (136.0273)


   

N-HYDROXYCYCLOPROPANECARBOXIMIDAMIDE HYDROCHLORIDE

N-HYDROXYCYCLOPROPANECARBOXIMIDAMIDE HYDROCHLORIDE

C4H9ClN2O (136.0403)


   

1-chloro-1,1,2,2-tetrafluoroethane

1-chloro-1,1,2,2-tetrafluoroethane

C2HClF4 (135.9703)


   

2-(2-methoxyethoxy)ethanethiol

2-(2-methoxyethoxy)ethanethiol

C5H12O2S (136.0558)


   

Chloromethyl isobutyrate

Chloromethyl isobutyrate

C5H9ClO2 (136.0291)


   

1,3-DIHYDROISOBENZOFURAN-1-OL

1,3-DIHYDROISOBENZOFURAN-1-OL

C8H8O2 (136.0524)


   

alpha-Methoxytropone

alpha-Methoxytropone

C8H8O2 (136.0524)


   

5-PYRIMIDINECARBONITRILE, 6-AMINO-1,2-DIHYDRO-2-OXO-

5-PYRIMIDINECARBONITRILE, 6-AMINO-1,2-DIHYDRO-2-OXO-

C5H4N4O (136.0385)


   

5-hydroxy-2-methylbenzaldehyde

5-hydroxy-2-methylbenzaldehyde

C8H8O2 (136.0524)


   

1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine (9CI)

1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine (9CI)

C4H4N6 (136.0497)


   

Azetidine-3-carboxamide

Azetidine-3-carboxamide

C4H9ClN2O (136.0403)


   

Phosphonic acid,monobutyl ester

Phosphonic acid,monobutyl ester

C4H9O3P (136.0289)


   

ISOXAZOLO[5,4-B]PYRIDIN-3-OL

ISOXAZOLO[5,4-B]PYRIDIN-3-OL

C6H4N2O2 (136.0273)


   

1-Bromobutane

1-Bromobutane

C4H9Br (135.9888)


   

1-Bromo-2-methylpropane

1-Bromo-2-methylpropane

C4H9Br (135.9888)


   

phenylmagnesium chloride

phenylmagnesium chloride

C6H5ClMg (135.993)


   

2-Fluoro-6-methylnicotinonitrile

2-Fluoro-6-methylnicotinonitrile

C7H5FN2 (136.0437)


   

4-(Trifluoromethyl)-1H-imidazole

4-(Trifluoromethyl)-1H-imidazole

C4H3F3N2 (136.0248)


   

(Chloromethyl)(ethyl)dimethylsilane

(Chloromethyl)(ethyl)dimethylsilane

C5H13ClSi (136.0475)


   

Thiazol-2-amine hydrochloride

Thiazol-2-amine hydrochloride

C3H5ClN2S (135.9862)


   

Ethoxalyl chloride

Ethoxalyl chloride

C4H5ClO3 (135.9927)


   

3-Methyl-1,2-oxathiolane 2,2-dioxide

3-Methyl-1,2-oxathiolane 2,2-dioxide

C4H8O3S (136.0194)


   

Methyl 4-chlorobutyrate

Methyl 4-chlorobutanoate

C5H9ClO2 (136.0291)


   

chloromethyl butyrate

chloromethyl butyrate

C5H9ClO2 (136.0291)


   

5-amino-2-fluorobenzonitrile

5-amino-2-fluorobenzonitrile

C7H5FN2 (136.0437)


   

1,1-Dimethoxy-2-(methylthio)ethane

1,1-Dimethoxy-2-(methylthio)ethane

C5H12O2S (136.0558)


   

8-Azaadenine

8-Azaadenine

C4H4N6 (136.0497)


A triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7.

   

1-Chloro-2-ethynylbenzene

1-Chloro-2-ethynylbenzene

C8H5Cl (136.008)


   

Boron trifluoride tetrahydrofuran

Boron trifluoride tetrahydrofuran

C4H4BF3O (136.0307)


   

2-(trimethylsilyl)ethyl chloride

2-(trimethylsilyl)ethyl chloride

C5H13ClSi (136.0475)


   

ethyl 3,3-difluoroacrylate

ethyl 3,3-difluoroacrylate

C5H6F2O2 (136.0336)


   

dimethylolthiourea

dimethylolthiourea

C3H8N2O2S (136.0306)


   

Lithium methyltriolborate

Lithium methyltriolborate

CH3BLi2O6 (136.0343)


   

3-Cyano-1,2-dihydro-4-hydroxy-2-oxopyridine

3-Cyano-1,2-dihydro-4-hydroxy-2-oxopyridine

C6H4N2O2 (136.0273)


   

4-cyano-1H-pyrrole-2-carboxylic acid

4-cyano-1H-pyrrole-2-carboxylic acid

C6H4N2O2 (136.0273)


   

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

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

C6H4N2O2 (136.0273)


   

Thieno[3,4-d]pyrimidine (8CI,9CI)

Thieno[3,4-d]pyrimidine (8CI,9CI)

C6H4N2S (136.0095)


   

[1,2]thiazolo[5,4-b]pyridine

[1,2]thiazolo[5,4-b]pyridine

C6H4N2S (136.0095)


   

1,4-Dinitrosobenzene

1,4-Dinitrosobenzene

C6H4N2O2 (136.0273)


   

Butyl chloroformate

Butyl chloroformate

C5H9ClO2 (136.0291)


   
   

[1,2]oxazolo[5,4-c]pyridin-3-one

[1,2]oxazolo[5,4-c]pyridin-3-one

C6H4N2O2 (136.0273)


   

Potassium ethyl(trifluoro)borate(1-)

Potassium ethyl(trifluoro)borate(1-)

C2H5BF3K (136.0073)


   

1,3,2-Dioxathiane,4-methyl-, 2-oxide

1,3,2-Dioxathiane,4-methyl-, 2-oxide

C4H8O3S (136.0194)


   

2-Chloro-1,1,1,2-tetrafluoroethane

2-Chloro-1,1,1,2-tetrafluoroethane

C2HClF4 (135.9703)


   

5-Cyano-2-fluoro-3-picoline

5-Cyano-2-fluoro-3-picoline

C7H5FN2 (136.0437)


   

trimethylarsane oxide

trimethylarsane oxide

C3H9AsO (135.9869)


   

Thieno[3,4-b]pyrazine

Thieno[3,4-b]pyrazine

C6H4N2S (136.0095)


   

3-Amino-4,4,4-trifluoro-2-butenenitrile

3-Amino-4,4,4-trifluoro-2-butenenitrile

C4H3F3N2 (136.0248)


   

4-fluorobenzofuran

4-fluorobenzofuran

C8H5FO (136.0324)


   

Isoxazolo[4,5-b]pyridin-3(2H)-one (9CI)

Isoxazolo[4,5-b]pyridin-3(2H)-one (9CI)

C6H4N2O2 (136.0273)


   

Acetaldehyde,2-phenoxy-

Acetaldehyde,2-phenoxy-

C8H8O2 (136.0524)


   

[1,3]thiazolo[4,5-c]pyridine

[1,3]thiazolo[4,5-c]pyridine

C6H4N2S (136.0095)


   

Pyrrolo[2,1-d]-1,2,3,5-tetrazin-4(1H)-one (9CI)

Pyrrolo[2,1-d]-1,2,3,5-tetrazin-4(1H)-one (9CI)

C5H4N4O (136.0385)


   

dimethyl vinylphosphonate

dimethyl vinylphosphonate

C4H9O3P (136.0289)


   

2H-Imidazo[4,5-b]pyrazin-2-one,1,3-dihydro-

2H-Imidazo[4,5-b]pyrazin-2-one,1,3-dihydro-

C5H4N4O (136.0385)


   

1,4-DIOXANE, 2-(CHLOROMETHYL)-

1,4-DIOXANE, 2-(CHLOROMETHYL)-

C5H9ClO2 (136.0291)


   

2-fluoro-1H-benzimidazole

2-fluoro-1H-benzimidazole

C7H5FN2 (136.0437)


   

2-Amino-4-fluorobenzonitrile

2-Amino-4-fluorobenzonitrile

C7H5FN2 (136.0437)


   

3-Aminoisoxazolo[4,5-b]pyrazine

3-Aminoisoxazolo[4,5-b]pyrazine

C5H4N4O (136.0385)


   

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

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

C7H5FN2 (136.0437)


   

3-Fluoro-4-aminobenzonitrile

3-Fluoro-4-aminobenzonitrile

C7H5FN2 (136.0437)


   

3-Amino-4-fluorobenzonitrile

3-Amino-4-fluorobenzonitrile

C7H5FN2 (136.0437)


   

Pyridine, 4-isothiocyanato- (9CI)

Pyridine, 4-isothiocyanato- (9CI)

C6H4N2S (136.0095)


   

3-hydroxy-2-methylbenzaldehyde

3-hydroxy-2-methylbenzaldehyde

C8H8O2 (136.0524)


   

1-Amino-2-pyrrolidinone hydrochloride (1:1)

1-Amino-2-pyrrolidinone hydrochloride (1:1)

C4H9ClN2O (136.0403)


   

Phenylacetic acid-2-13C

Phenylacetic acid-2-13C

C8H8O2 (136.0524)


   

3H-Pyrazolo[4,3-D]pyrimidin-7-OL

3H-Pyrazolo[4,3-D]pyrimidin-7-OL

C5H4N4O (136.0385)


   

1-Aminocyclopropylphosphonate

1-Aminocyclopropylphosphonate

C3H7NO3P- (136.0164)


   

Anthranilate

Anthranilate

C7H6NO2- (136.0399)


An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group. D002491 - Central Nervous System Agents > D000927 - Anticonvulsants COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-Aminobenzoate

3-Aminobenzoate

C7H6NO2- (136.0399)


   
   

3-[(2-Hydroxyethyl)thio]-1-propanol

3-[(2-Hydroxyethyl)thio]-1-propanol

C5H12O2S (136.0558)


An aliphatic sulfide that is propan-1-ol substituted by a (2-hydroxyethyl)thio group at position 3.

   

3,4-Dicyanofuroxan

3,4-Dicyanofuroxan

C4N4O2 (136.0021)


   

furfural acetone

4-(2-Furanyl)-3-buten-2-one

C8H8O2 (136.0524)


   

Methyl 3-chlorobutanoate

Methyl 3-chlorobutanoate

C5H9ClO2 (136.0291)


   

Formic acid, 4-methylphenyl ester

Formic acid, 4-methylphenyl ester

C8H8O2 (136.0524)


   

Cyclopenta[b]pyran-4(5H)-one, 6,7-dihydro-

Cyclopenta[b]pyran-4(5H)-one, 6,7-dihydro-

C8H8O2 (136.0524)


   

Eniluracil

Eniluracil

C6H4N2O2 (136.0273)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors Eniluracil (5-Ethynyluracil) is an orally active dihydropyrimidine dehydrogenase (DPD) inhibitor. Eniluracil irreversibly inhibits DPD, increases the oral bioavailability of 5-fluorouracil to 100\%, and facilitates the uniform absorption and toxicity of 5-fluorouracil. Eniluracil can be used in cancer research of combination with fluoropyrimidines (including 5-fluorouracil)[1][2]. Eniluracil is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

AI3-14650

InChI=1\C8H8O2\c1-6(9)7-3-2-4-8(10)5-7\h2-5,10H,1H

C8H8O2 (136.0524)


3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2]. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2].

   

Obepin

InChI=1\C8H8O2\c1-10-8-4-2-7(6-9)3-5-8\h2-6H,1H

C8H8O2 (136.0524)


4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1]. 4-Methoxybenzaldehyde is a naturally occurring fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1].

   

AI3-01375

InChI=1\C8H8O2\c1-10-8-5-3-2-4-7(8)6-9\h2-6H,1H

C8H8O2 (136.0524)


2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1]. 2-Methoxybenzaldehyde (o-Anisaldehyde), isolated from cinnamon essential oil (CEO), exists antibacterial and antifungal activity[1].

   

AI3-08920

InChI=1\C8H8O2\c9-8(10)6-7-4-2-1-3-5-7\h1-5H,6H2,(H,9,10

C8H8O2 (136.0524)


D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

AI3-12134

InChI=1\C8H8O2\c1-6(9)7-4-2-3-5-8(7)10\h2-5,10H,1H

C8H8O2 (136.0524)


2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.

   

99-94-5

InChI=1\C8H8O2\c1-6-2-4-7(5-3-6)8(9)10\h2-5H,1H3,(H,9,10

C8H8O2 (136.0524)


p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.

   

c0276

Acetophenone, 2-hydroxy- (8CI)

C8H8O2 (136.0524)


2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2]. 2-Hydroxyacetophenone is a principal root volatile of the Carissa edulis[1]. 2-Hydroxyacetophenone shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 1.8 mM[2].

   

AI3-52556

InChI=1\C8H8O2\c1-10-8-4-2-3-7(5-8)6-9\h2-6H,1H

C8H8O2 (136.0524)


m-Anisaldehyde is an endogenous metabolite. m-Anisaldehyde is an endogenous metabolite.

   

4-Hydroxyacetophenone

4-Hydroxyacetophenone

C8H8O2 (136.0524)


4-hydroxyacetophenone, also known as (4-hydroxyphenyl)ethan-1-one or 4-acetylphenol, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-hydroxyacetophenone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxyacetophenone is a mild, sweet, and balsam tasting compound found in sweet orange, which makes 4-hydroxyacetophenone a potential biomarker for the consumption of this food product. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1]. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1].

   

(4-Hydroxyphenyl)acetaldehyde

2-(4-Hydroxyphenyl)acetaldehyde

C8H8O2 (136.0524)


4-hydroxyphenylacetaldehyde, also known as poh-ph-ch2cho or hpal, is a member of the class of compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. 4-hydroxyphenylacetaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxyphenylacetaldehyde can be found in a number of food items such as daikon radish, mixed nuts, alaska blueberry, and japanese chestnut, which makes 4-hydroxyphenylacetaldehyde a potential biomarker for the consumption of these food products. 4-hydroxyphenylacetaldehyde exists in all living species, ranging from bacteria to humans.

   

Amino (2R)-2-amino-3-sulfanylpropanoate

Amino (2R)-2-amino-3-sulphanylpropanoic acid

C3H8N2O2S (136.0306)


   

L-erythronic acid

L-erythronic acid

C4H8O5 (136.0372)


   

3-Sulfinopropionate

3-Sulfinopropionate

C3H4O4S-2 (135.983)


   

3-Pyridylacetate

3-Pyridylacetate

C7H6NO2- (136.0399)


   

6-Methylnicotinate

6-Methylnicotinate

C7H6NO2- (136.0399)


   

5-Methyl-picolinate

5-Methyl-picolinate

C7H6NO2- (136.0399)


   
   

(1R,2S)-epoxypropylphosphonate(2-)

(1R,2S)-epoxypropylphosphonate(2-)

C3H5O4P-2 (135.9925)


   

2,2,4-Trihydroxybutanoic acid

2,2,4-Trihydroxybutanoic acid

C4H8O5 (136.0372)


A hydroxybutyric acid that is butyric acid substituted by hydroxy groups at positions 2, 2 and 4.

   

5-Amino-4-cyano-1-formylimidazole

5-Amino-4-cyano-1-formylimidazole

C5H4N4O (136.0385)


   

1,1,2,2,2-Pentafluoroethanol

1,1,2,2,2-Pentafluoroethanol

C2HF5O (135.9948)


   

Allyl 2-furyl ketone

Allyl 2-furyl ketone

C8H8O2 (136.0524)


   

4-Methylbenzoic acid (alpha-13C)

4-Methylbenzoic acid (alpha-13C)

C8H8O2 (136.0524)


   

Phenyl acetate

PHENYL ACETATE

C8H8O2 (136.0524)


Phenyl acetate is an endogenous metabolite. Phenyl acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=122-79-2 (retrieved 2024-08-21) (CAS RN: 122-79-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Benzyl formate

Benzyl formate

C8H8O2 (136.0524)


   

4-Methylbenzoic acid

4-Methylbenzoic acid

C8H8O2 (136.0524)


p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.

   

M-toluic Acid

3-Methylbenzoic acid

C8H8O2 (136.0524)


A methylbenzoic acid carrying a methyl substituent at position 3.

   

L-Threonic acid

L-Threonic acid

C4H8O5 (136.0372)


The L-enantiomer of threonic acid.

   

4-Hydroxyphenylacetaldehyde

2-(4-Hydroxyphenyl)acetaldehyde

C8H8O2 (136.0524)


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

   

3,4-Dihydroxystyrene

4-Vinylbenzene-1,2-diol

C8H8O2 (136.0524)


   

4-Aminobenzoate

4-Aminobenzoate

C7H6NO2- (136.0399)


An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.

   

2-Hydroxy-4-methylbenzaldehyde

2-Hydroxy-4-methylbenzaldehyde

C8H8O2 (136.0524)


2-Hydroxy-4-methylbenzaldehyde is an endogenous metabolite.

   

ETHYL PROPYL DISULFIDE

ETHYL PROPYL DISULFIDE

C5H12S2 (136.038)


   

2-methyl-3-(2-furyl)propenal

2-methyl-3-(2-furyl)propenal

C8H8O2 (136.0524)


   

Phenylthioethene

Phenyl vinyl sulfide

C8H8S (136.0347)


   

1-Pentanesulfenothioic acid

1-Pentanesulfenothioic acid

C5H12S2 (136.038)


   

2,3,4-Trihydroxybutanoicacid

2,3,4-trihydroxybutanoic acid

C4H8O5 (136.0372)


   

S-2-Propenyl methanesulfinothioate

S-2-Propenyl methanesulfinothioate

C4H8OS2 (136.0017)


   

(Z)-S-1-Propenyl methanesulfinothioate

(Z)-S-1-Propenyl methanesulfinothioate

C4H8OS2 (136.0017)


   

3-(3-Furanyl)-2-methyl-2-propenal

3-(3-Furanyl)-2-methyl-2-propenal

C8H8O2 (136.0524)


   

(Z)-S-Methyl 1-propenesulfinothioate

(Z)-S-Methyl 1-propenesulfinothioate

C4H8OS2 (136.0017)


   

D-erythronic acid

D-erythronic acid

C4H8O5 (136.0372)


An erythronic acid in which the stereocentres at positions 2 and 3 both have R-configuration (the D-enantiomer).

   

p-methoxybenzaldehyde

p-methoxybenzaldehyde

C8H8O2 (136.0524)


A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.

   

(1R,2S)-epoxypropylphosphonate(2-)

(1R,2S)-epoxypropylphosphonate(2-)

C3H5O4P (135.9925)


An organophosphonate oxoanion obtained by deprotonation of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid.

   

Dihydroxystyrene

Dihydroxystyrene

C8H8O2 (136.0524)


   

Hydroxyphenylacetaldehyde

Hydroxyphenylacetaldehyde

C8H8O2 (136.0524)


   

Methylbenzoic acid

Methylbenzoic acid

C8H8O2 (136.0524)


   

3-methanesulfonylprop-2-en-1-ol

3-methanesulfonylprop-2-en-1-ol

C4H8O3S (136.0194)


   

(1e)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

(1e)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

6-[(1e)-prop-1-en-1-yl]pyran-2-one

6-[(1e)-prop-1-en-1-yl]pyran-2-one

C8H8O2 (136.0524)


   

4-ethenylbenzene-1,3-diol

4-ethenylbenzene-1,3-diol

C8H8O2 (136.0524)


   

1-(methanesulfinylsulfanyl)prop-1-ene

1-(methanesulfinylsulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

3-(2-thienyl)propargyl aldehyde

NA

C7H4OS (135.9983)


{"Ingredient_id": "HBIN007064","Ingredient_name": "3-(2-thienyl)propargyl aldehyde","Alias": "NA","Ingredient_formula": "C7H4OS","Ingredient_Smile": "C1=CSC(=C1)C#CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

allyl-methyl thiosulfinates

NA

C4H8OS2 (136.0017)


{"Ingredient_id": "HBIN015258","Ingredient_name": "allyl-methyl thiosulfinates","Alias": "NA","Ingredient_formula": "C4H8OS2","Ingredient_Smile": "CS(=O)SCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34845","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1z)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

(1z)-1-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

6-(prop-1-en-1-yl)pyran-2-one

6-(prop-1-en-1-yl)pyran-2-one

C8H8O2 (136.0524)


   

1-(ethylsulfanyl)propane-1-thiol

1-(ethylsulfanyl)propane-1-thiol

C5H12S2 (136.038)


   

3-(methoxy-λ⁴-disulfanyl)prop-1-ene

3-(methoxy-λ⁴-disulfanyl)prop-1-ene

C4H8OS2 (136.0017)


   

1-(methyldisulfanyl)butane

1-(methyldisulfanyl)butane

C5H12S2 (136.038)


   

(2z,4z,6z,8z)-thionine

(2z,4z,6z,8z)-thionine

C8H8S (136.0347)


   

2,5-dimethylcyclohexa-2,5-diene-1,4-dione

2,5-dimethylcyclohexa-2,5-diene-1,4-dione

C8H8O2 (136.0524)


   

2-(methyldisulfanyl)butane

2-(methyldisulfanyl)butane

C5H12S2 (136.038)


   

(1e)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

(1e)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

C4H8OS2 (136.0017)


   

(2e)-but-2-en-1-yl-λ⁴-disulfanylol

(2e)-but-2-en-1-yl-λ⁴-disulfanylol

C4H8OS2 (136.0017)


   

(1z)-1-phenylethene-1,2-diol

(1z)-1-phenylethene-1,2-diol

C8H8O2 (136.0524)


   

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

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

C4H8OS2 (136.0017)


   

(1z)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

(1z)-1-[(s)-methanesulfinylsulfanyl]prop-1-ene

C4H8OS2 (136.0017)


   

2,3-dihydro-1-benzofuran-5-ol

2,3-dihydro-1-benzofuran-5-ol

C8H8O2 (136.0524)


   

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

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

C4H8OS2 (136.0017)


   

1,2,5,6-tetraoxocan-3-ol

1,2,5,6-tetraoxocan-3-ol

C4H8O5 (136.0372)


   

(2e)-3-methanesulfonylprop-2-en-1-ol

(2e)-3-methanesulfonylprop-2-en-1-ol

C4H8O3S (136.0194)


   

(2z)-but-2-en-1-yl-λ⁴-disulfanylol

(2z)-but-2-en-1-yl-λ⁴-disulfanylol

C4H8OS2 (136.0017)