Exact Mass: 168.047

Exact Mass Matches: 168.047

Found 416 metabolites which its exact mass value is equals to given mass value 168.047, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Vanillic acid

4-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0423)


Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavouring and scent agent that produces a pleasant, creamy odour. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin (J Biotechnol 1996;50(2-3):107-13). Vanillic acid, which is a chlorogenic acid, is an oxidized form of vanillin. It is also an intermediate in the production of vanillin from ferulic acid. Vanillic acid is a metabolic byproduct of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea, and vanilla-flavoured confectionary. Vanillic acid selectively and specifically inhibits 5nucleotidase activity (PMID: 16899266). Vanillic acid is a microbial metabolite found in Amycolatopsis, Delftia, and Pseudomonas (PMID: 11152072, 10543794, 11728709, 9579070). Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavoring and scent agent that produces a pleasant, creamy odor. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). Vanillic acid, which is a chlorogenic acid, is an oxidized form of vanillin. It is also an intermediate in the production of vanillin from ferulic acid. Vanillic acid is a metabolic byproduct of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea and vanilla-flavored confectionary. Vanillic acid selectively and specifically inhibits 5nucleotidase activity. (PMID: 16899266). Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a vanillate. Vanillic acid is a natural product found in Ficus septica, Haplophyllum cappadocicum, and other organisms with data available. Vanillic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. Vanillic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=121-34-6 (retrieved 2024-06-29) (CAS RN: 121-34-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].

   

Orsellinic_acid

6-Methyl-beta-resorcylic acid; Orcinolcarboxylic acid

C8H8O4 (168.0423)


O-orsellinic acid is a dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a metabolite, a marine metabolite and a fungal metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is a conjugate acid of an o-orsellinate. 2,4-Dihydroxy-6-methylbenzoic acid is a natural product found in Nidularia pulvinata, Hypoxylon rubiginosum, and other organisms with data available. A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. Orsellinic acid is a compound produced by Lecanoric acid treated with alcohols. Lecanoric acid is a lichen depside isolated from a Parmotrema tinctorum specimen[1].

   

3,4-Dihydroxybenzeneacetic acid

3,4-Dihydroxyphenylacetic Acid, Monosodium Salt

C8H8O4 (168.0423)


3,4-Dihydroxyphenylacetic acid (DOPAC) is a phenolic acid. DOPAC is a neuronal metabolite of dopamine (DA). DA undergoes monoamine oxidase-catalyzed oxidative deamination to 3,4-dihydroxyphenylacetaldehyde (DOPAL), which is metabolized primarily into DOPAC via aldehyde dehydrogenase (ALDH2). The biotransformation of DOPAL is critical as previous studies have demonstrated this DA-derived aldehyde to be a reactive electrophile and toxic to dopaminergic cells. Known inhibitors of mitochondrial ALDH2, such as 4-hydroxy-2-nonenal (4HNE) inhibit ALDH2-mediated oxidation of the endogenous neurotoxin DOPAL. 4HNE is one of the resulting products of oxidative stress, thus linking oxidative stress to the uncontrolled production of an endogenous neurotoxin relevant to Parkinsons disease. In early-onset Parkinson disease, there is markedly reduced activities of both monoamine oxidase (MAO) A and B. The amount of DOPAC, which is produced during dopamine oxidation by MAO, is greatly reduced as a result of increased parkin overexpression. Administration of methamphetamine to animals causes loss of DA terminals in the brain and significant decreases in dopamine and dihydroxyphenylacetic acid (DOPAC) in the striatum. Renal dopamine produced in the residual tubular units may be enhanced during a sodium challenge, thus behaving appropriately as a compensatory natriuretic hormone; however, the renal dopaminergic system in patients afflicted with renal parenchymal disorders should address parameters other than free urinary dopamine, namely the urinary excretion of L-DOPA and metabolites. DOPAC is one of the major phenolic acids formed during human microbial fermentation of tea, citrus, and soy flavonoid supplements. DOPAC exhibits a considerable antiproliferative effect in LNCaP prostate cancer and HCT116 colon cancer cells. The antiproliferative activity of DOPAC may be due to its catechol structure. A similar association of the catechol moiety in the B-ring with antiproliferative activity was demonstrated for flavanones (PMID:16956664, 16455660, 8561959, 11369822, 10443478, 16365058). DOPAC can be found in Gram-positive bacteria (PMID:24752840). 3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine. 3,4-Dihydroxyphenylacetic acid is found in many foods, some of which are alaska blueberry, cauliflower, ucuhuba, and fox grape. 3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.

   

2',4',6'-Trihydroxyacetophenone

2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -Trihydroxyacetophenone

C8H8O4 (168.0423)


2,4,6-trihydroxyacetophenone is a benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. It has a role as a MALDI matrix material and a plant metabolite. It is a methyl ketone, a benzenetriol and an aromatic ketone. 2,4,6-Trihydroxyacetophenone is a natural product found in Artemisia gypsacea, Daldinia eschscholtzii, and other organisms with data available. A benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. 2,4,6-Trihydroxyacetophenone is found in fruits. 2,4,6-Trihydroxyacetophenone is isolated from bark of Prunus domestica (plum Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].

   

4-hydroxymandelic acid

(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid

C8H8O4 (168.0423)


p-Hydroxymandelic acid, also known as 4-hydroxymandelate or 4-hydroxyphenylglycolate, belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. p-Hydroxymandelic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make p-hydroxymandelic acid a potential biomarker for the consumption of these foods. p-Hydroxymandelic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on p-Hydroxymandelic acid. p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

Homogentisic acid

2-(2,5-dihydroxyphenyl)acetic acid

C8H8O4 (168.0423)


Homogentisic acid, also known as melanic acid, is an intermediate in the breakdown or catabolism of tyrosine and phenylalanine. It is generated from the compound p-hydroxyphenylpyruvate through the enzyme p-hydroxyphenylpyruvate dehydrogenase. The resulting homogentisic acid is then broken down into 4-maleylacetoacetate via the enzyme homogentisate 1,2-dioxygenase. Homogentisic acid is also found in other organisms. For instance, it can found in Arbutus unedo (strawberry-tree) honey, in the bacterial plant pathogen Xanthomonas campestris as well as in the yeast Yarrowia lipolytica where it is associated with the production of brown pigments. Homogentisic acid can be oxidatively dimerized to form hipposudoric acid, one of the main constituents of the blood sweat of hippopotamuses. When present in sufficiently high levels, homogentisic acid can function as an osteotoxin and a renal toxin. An osteotoxin is a substance that causes damage to bones and/or joints. A renal toxin causes damage to the kidneys. Chronically high levels of homogentisic acid are associated with alkaptonuria (OMIM: 203500), an inborn error of metabolism. Alkaptonuria is a rare inherited genetic disorder in which the body cannot process the amino acids phenylalanine and tyrosine. It is caused by a mutation in the enzyme homogentisate 1,2-dioxygenase (EC 1.13.11.5), which leads to an accumulation of homogentisic acid in the blood and tissues. Homogentisic acid and its oxidized form benzoquinone acetic acid are excreted in the urine, giving it an unusually dark color. The accumulating homogentisic acid (and benzoquinone acetic acid) causes damage to cartilage (ochronosis, leading to osteoarthritis) and heart valves as well as precipitating as kidney stones and stones in other organs. More specifically, homogentisic acid can be converted to benzoquinone acetic acid (BQA), and the resulting BQA can be readily converted to polymers that resemble the dark skin pigment melanin. These polymers are deposited in the collagen, a connective tissue protein, of particular tissues such as cartilage. This process is called ochronosis (as the tissue looks ochre); ochronotic tissue is stiffened and unusually brittle, impairing its normal function and causing damage. Homogentisic acid is the primary precursor of melanin synthesis in Vibrio cholerae. 2-(3,6-dihydroxyphenyl)acetic acid, also known as homogentisic acid or homogentisate, is a member of the class of compounds known as 2(hydroxyphenyl)acetic acids. 2(hydroxyphenyl)acetic acids are phenylacetic acids that carry a hydroxyl group at the 2-position. 2-(3,6-dihydroxyphenyl)acetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(3,6-dihydroxyphenyl)acetic acid can be found in a number of food items such as gooseberry, angelica, chinese broccoli, and cucumber, which makes 2-(3,6-dihydroxyphenyl)acetic acid a potential biomarker for the consumption of these food products. 2-(3,6-dihydroxyphenyl)acetic acid can be found primarily in blood, feces, and urine, as well as in human cartilage, connective tissue and kidney tissues. In humans, 2-(3,6-dihydroxyphenyl)acetic acid is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, and tyrosine metabolism. 2-(3,6-dihydroxyphenyl)acetic acid is also involved in several metabolic disorders, some of which include dopamine beta-hydroxylase deficiency, tyrosinemia type 3 (TYRO3), alkaptonuria, and tyrosinemia type 2 (or richner-hanhart syndrome). Moreover, 2-(3,6-dihydroxyphenyl)acetic acid is found to be associated with alkaptonuria. 2-(3,6-dihydroxyphenyl)acetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Apart from treatment of the complications (such as pain relief using NSAIDs and joint replacement for the cartilage damage), vitamin C has been used to reduce the ochronosis and lowering of the homogentisic acid levels may be attempted with a low-protein diet. Recently the drug nitisinone has been found to suppress homogentisic acid production. Nitrisinone inhibits the enzyme, 4-hydroxyphenylpyruvate dioxygenase, responsible for converting tyrosine to homogentisic acid, thereby blocking the production and accumulation of homogentisic acid. Nitisinone treatment has been shown to cause a 95\\\\% reduction in plasma and urinary homogentisic acid (T3DB). Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 118 KEIO_ID H060 Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.

   

2,6-Dimethoxy-1,4-benzoquinone

3,5-Dimethoxy-1,4-benzoquinone; 3,5-Dimethoxybenzoquinone; NSC 24500

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone is a natural product found in Diospyros eriantha, Iris milesii, and other organisms with data available. 2,6-Dimethoxyquinone is a methoxy-substituted benzoquinone and bioactive compound found in fermented wheat germ extracts, with potential antineoplastic and immune-enhancing activity. 2,6-Dimethoxyquinone (2,6-DMBQ) inhibits anaerobic glycolysis thereby preventing cellular metabolism and inducing apoptosis. As cancer cells use the anaerobic glycolysis pathway to metabolize glucose and cancer cells proliferate at an increased rate as compared to normal, healthy cells, this agent is specifically cytotoxic towards cancer cells. In addition, 2,6-DMBQ exerts immune-enhancing effects by increasing natural killer (NK) cell and T-cell activity against cancer cells. See also: Acai fruit pulp (part of). 2,6-Dimethoxy-1,4-benzoquinone is found in common wheat. 2,6-Dimethoxy-1,4-benzoquinone is a constituent of bark of Phyllostachys heterocycla var. pubescens (moso bamboo) Constituent of bark of Phyllostachys heterocycla variety pubescens (moso bamboo). 2,6-Dimethoxy-1,4-benzoquinone is found in green vegetables and common wheat. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

1,2-Dihydrophthalic acid

Cyclohexa-3,5-diene-1,2-dicarboxylate

C8H8O4 (168.0423)


   

4-Hydroxypheoxyacetate

4-Hydroxyphenoxyacetic acid

C8H8O4 (168.0423)


   

3,4-Dihydroxymandelaldehyde

2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde

C8H8O4 (168.0423)


3,4-Dihydroxymandelaldehyde is the monoamine oxidase (MAO) aldehyde metabolite of both norepinephrine and epinephrine. 3,4- dihydroxymandelaldehyde generates a free radical and activates mitochondrial permeability transition, a mechanism implicated in neuron death. There is an increasing body of evidence suggesting that these compounds are neurotoxic, and it has been recently hypothesized that neurodegenerative disorders may be associated with increased levels of this biogenic aldehyde. It is possible to speculate that reduced detoxification of 3,4- dihydroxymandelaldehyde from impaired or deficient aldehyde dehydrogenase function may be a contributing factor in the suggested neurotoxicity of these compounds. Aldehyde dehydrogenases are a group of NAD(P)+ -dependent enzymes that catalyze the oxidation of aldehydes, such as those derived from catecholamines, to their corresponding carboxylic acids. To date, 19 aldehyde dehydrogenase genes have been identified in the human genome. Mutations in these genes and subsequent inborn errors in aldehyde metabolism are the molecular basis of several diseases. Several pharmaceutical agents and environmental toxins are also known to disrupt or inhibit aldehyde dehydrogenase function. (PMID: 17379813, 14697885, 11164826). 3,4-dihydroxymandelaldehyde, also known as alpha,3,4-trihydroxybenzeneacetaldehyde or dhmal, 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. 3,4-dihydroxymandelaldehyde is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxymandelaldehyde can be found in a number of food items such as canola, lentils, grass pea, and moth bean, which makes 3,4-dihydroxymandelaldehyde a potential biomarker for the consumption of these food products. In humans, 3,4-dihydroxymandelaldehyde is involved in a couple of metabolic pathways, which include disulfiram action pathway and tyrosine metabolism. 3,4-dihydroxymandelaldehyde is also involved in several metabolic disorders, some of which include dopamine beta-hydroxylase deficiency, alkaptonuria, hawkinsinuria, and tyrosinemia, transient, of the newborn. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2,6-Dihydroxyphenylacetate

(2,6-dihydroxyphenyl)acetic acid

C8H8O4 (168.0423)


   

2-Hydroxy-6-oxoocta-2,4,7-trienoate

2-hydroxy-6-oxoocta-2,4,7-trienoic acid

C8H8O4 (168.0423)


   

4-Hydroxymethylsalicylate

2-Hydroxy-4-hydroxymethylbenzoic acid

C8H8O4 (168.0423)


A monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position.

   

2-Amino-4-Nitroanisole

2-Methoxy-5-nitroaniline

C7H8N2O3 (168.0535)


   

4-hydroxymandelic acid

(+/-)-alpha,4-dihydroxy-benzeneacetic acid

C8H8O4 (168.0423)


p-Hydroxymandelic acid is an acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. An acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

4-Hydroxymandelate

(R)-2-HYDROXY-2-(4-HYDROXYPHENYL)ACETIC ACID

C8H8O4 (168.0423)


A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids KEIO_ID H081 p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

Isovanillic

InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate. 3-Hydroxy-4-methoxybenzoic acid is a natural product found in Euphorbia decipiens, Annona purpurea, and other organisms with data available. A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

5-Methoxysalicylic acid

InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is also known as 2-hydroxy-5-methoxybenzoate or 5-methoxy-2-hydroxybenzoate and belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. Outside of the human body, 5-Methoxysalicylic acid has been detected, but not quantified in herbs and spices and tea. 5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is a natural product found in Thalictrum fargesii, Amycolatopsis, and Conyza bonariensis with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. Isolated from Primula veris (cowslip) 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].

   

3-Hydroxymandelic acid

2-Hydroxy-2-(3-hydroxyphenyl)acetic acid

C8H8O4 (168.0423)


3-Hydroxymandelic acid, also known as m-hydroxymandelate or MHMA, is a 2-hydroxy monocarboxylic acid. 3-Hydroxymandelic acid is the dehydroxylated (positions 2 and 3‚Äô) derivative of phenylacetic acid. It is a white crystalline solid that is soluble in water and polar organic solvents. It derives from a mandelic acid. Mandelic acid is a substrate or product of several biochemical processes called the mandelate pathway. Mandelate racemase interconverts the two enantiomers via a pathway that involves cleavage of the alpha-CH bond. Mandelate dehydrogenase is yet another enzyme on this pathway. Mandelate also arises from trans-cinnamate via phenylacetic acid, which is hydroxylated. Derivatives of mandelic acid, such as 3-hydroxymandelic acid, are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-O-methyl transferase. m-hydroxymandelic acid or 3-hyrodxymandelic acid is a metabolic breakdown product of m-octopamine, m-synephrine (phenylephrine) and m-tyrosine. It is a naturally occuring catecholamine metabolite. Concentrations of m-hydroxymandelic acid can be elevated 20- to 30-fold in neuroblastoma patients. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.

   

4-Methoxysalicylic acid

4-Methoxysalicylic acid

C8H8O4 (168.0423)


2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.

   

Isovanillic acid

3-Hydroxy-4-methoxybenzoic acid

C8H8O4 (168.0423)


Isovanillic acid is a metabolite of isovanillin. Isovanillin is a phenolic aldehyde, an organic compound and isomer of vanillin. It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid. (Wikipedia) Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

3-Methoxysalicylic acid

2-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0423)


2-hydroxy-3-methoxybenzoic acid, also known as O-vanillic acid or O-vanillate, belongs to M-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. 2-hydroxy-3-methoxybenzoic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-hydroxy-3-methoxybenzoic acid can be found in evening primrose, which makes 2-hydroxy-3-methoxybenzoic acid a potential biomarker for the consumption of this food product. 3-Methoxysalicylic acid (CAS Number 877-22-5) is a beige fine crystalline powder. Its melting point is 147-150 C.

   

Quinolacetic acid

2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetic acid

C8H8O4 (168.0423)


Quinolacetic acid is a by-product of the partially defective enzyme, 4-hydroxyphenylpyruvate dioxygenase (PMID: 6619234). When present in sufficiently high levels, quinolacetic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of quinolacetic acid are associated with hawkinsinuria (PMID: 6619234). Hawkinsinuria is characterized by the inability to break down the amino acid tyrosine. The features of this condition usually appear around the time infants are weaned off breast milk and begin to use formula. The signs and symptoms may include the following: failure to gain weight and grow at the expected rate (failure to thrive), abnormally high acid levels in the blood (acidosis), and fine or sparse hair. Hawkinsin is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated hawkinsinuria. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures.

   

3-HYDROXY-2-METHOXYBENZOIC ACID

3-HYDROXY-2-METHOXYBENZOIC ACID

C8H8O4 (168.0423)


   

3-hydroxy-5-methoxybenzoic acid

3-hydroxy-5-methoxybenzoic acid

C8H8O4 (168.0423)


   

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

Dehydroacetic acid, sodium monohydrate ion (1-)

C8H8O4 (168.0423)


3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is a fungicide used against moulds on fresh and dried fruit. Now superseded. Fungicide used against moulds on fresh and dried fruit. Now superseded.

   

Thermophillin

Diethylcarbamothioylsulfanyl diethylaminomethanedithioate

C8H8O4 (168.0423)


Thermophillin is found in herbs and spices. Thermophillin is isolated from Acorus calamus (sweet flag) Disulfiram produces a sensitivity to alcohol which results in a highly unpleasant reaction when the patient under treatment ingests even small amounts of alcohol. Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol metabolism following disulfiram intake, the concentration of acetaldehyde occurring in the blood may be 5 to 10 times higher than that found during metabolism of the same amount of alcohol alone. Accumulation of acetaldehyde in the blood produces a complex of highly unpleasant symptoms referred to hereinafter as the disulfiram-alcohol reaction. This reaction, which is proportional to the dosage of both disulfiram and alcohol, will persist as long as alcohol is being metabolized. Disulfiram does not appear to influence the rate of alcohol elimination from the body. Prolonged administration of disulfiram does not produce toleranc Isolated from Acorus calamus (sweet flag)

   

2,3-Diaminosalicylic acid

2,3-diamino-6-hydroxybenzoic acid

C7H8N2O3 (168.0535)


2,3-diaminosalicylic acid is classified as a member of the aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 2,3-diaminosalicylic acid is considered to be a slightly soluble (in water) and a moderately acidic compound. 2,3-diaminosalicylic acid can be found in blood and urine. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

   

2-Pyrroloylglycine

2-(1H-pyrrol-2-ylformamido)acetic acid

C7H8N2O3 (168.0535)


2-Pyrroloylglycine belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond

   

3, 5-Dihydroxyphenylacetic acid

2-(3,5-Dihydroxyphenyl)acetic acid

C8H8O4 (168.0423)


3, 5-dihydroxyphenylacetic acid is classified as a member of the resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 3, 5-dihydroxyphenylacetic acid is considered to be a slightly soluble (in water) and a weak acidic compound. 3, 5-dihydroxyphenylacetic acid can be found in humans.

   

1,1-Dichloroheptane

heptane, 1,1-dichloro-

C7H14Cl2 (168.0473)


   

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-

C8H8O4 (168.0423)


   

Dehydroacetic acid

3-acetyl-6-methyl-3,4-dihydro-2H-pyran-2,4-dione

C8H8O4 (168.0423)


   

Dephostatin

2-[methyl(nitroso)amino]benzene-1,4-diol

C7H8N2O3 (168.0535)


   

1-(2,4-Dihydroxyphenyl)-2-hydroxyethanone

1-(2,4-dihydroxyphenyl)-2-hydroxyethan-1-one

C8H8O4 (168.0423)


   

(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol

(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol

C5H9FO5 (168.0434)


   

(3,4-Dihydroxyphenyl) acetate

3,4-dihydroxyphenyl acetic acid

C8H8O4 (168.0423)


   

2,2-Dihydroxy-2-phenylacetic acid

2,2-Dihydroxy-2-phenylacetic acid

C8H8O4 (168.0423)


   

3,5-Dihydroxy-4-methoxybenzaldehyde

3,5-dihydroxy-4-methoxybenzaldehyde

C8H8O4 (168.0423)


3,5-dihydroxy-4-methoxybenzaldehyde is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 3,5-dihydroxy-4-methoxybenzaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3,5-dihydroxy-4-methoxybenzaldehyde can be found in date, which makes 3,5-dihydroxy-4-methoxybenzaldehyde a potential biomarker for the consumption of this food product.

   

2,6-diamino-4-hydroxy-5-formamidopyrimidine

2,6-diamino-5-formamido-4-oxo-4,5-dihydro-1λ⁵-pyrimidin-1-ylium-5-id-1-yl

C5H6N5O2 (168.0521)


2,6-diamino-4-hydroxy-5-formamidopyrimidine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2,6-diamino-4-hydroxy-5-formamidopyrimidine can be found in a number of food items such as vanilla, agave, radish (variety), and common buckwheat, which makes 2,6-diamino-4-hydroxy-5-formamidopyrimidine a potential biomarker for the consumption of these food products.

   

3,4-dihydroxyphenylacetic acid

3,4-dihydroxyphenylacetic acid

C8H8O4 (168.0423)


3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.

   

3,4-Dihydroxybenzeneacetic acid

InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12

C8H8O4 (168.0423)


3,4-Dihydroxyphenylacetic acid (DOPAC) is a phenolic acid. DOPAC is a neuronal metabolite of dopamine (DA). DA undergoes monoamine oxidase-catalyzed oxidative deamination to 3,4-dihydroxyphenylacetaldehyde (DOPAL), which is metabolized primarily into DOPAC via aldehyde dehydrogenase (ALDH2). The biotransformation of DOPAL is critical as previous studies have demonstrated this DA-derived aldehyde to be a reactive electrophile and toxic to dopaminergic cells. Known inhibitors of mitochondrial ALDH2, such as 4-hydroxy-2-nonenal (4HNE) inhibit ALDH2-mediated oxidation of the endogenous neurotoxin DOPAL. 4HNE is one of the resulting products of oxidative stress, thus linking oxidative stress to the uncontrolled production of an endogenous neurotoxin relevant to Parkinsons disease. In early-onset Parkinson disease, there is markedly reduced activities of both monoamine oxidase (MAO) A and B. The amount of DOPAC, which is produced during dopamine oxidation by MAO, is greatly reduced as a result of increased parkin overexpression. Administration of methamphetamine to animals causes loss of DA terminals in the brain and significant decreases in dopamine and dihydroxyphenylacetic acid (DOPAC) in the striatum. Renal dopamine produced in the residual tubular units may be enhanced during a sodium challenge, thus behaving appropriately as a compensatory natriuretic hormone; however, the renal dopaminergic system in patients afflicted with renal parenchymal disorders should address parameters other than free urinary dopamine, namely the urinary excretion of L-DOPA and metabolites. DOPAC is one of the major phenolic acids formed during human microbial fermentation of tea, citrus, and soy flavonoid supplements. DOPAC exhibits a considerable antiproliferative effect in LNCaP prostate cancer and HCT116 colon cancer cells. The antiproliferative activity of DOPAC may be due to its catechol structure. A similar association of the catechol moiety in the B-ring with antiproliferative activity was demonstrated for flavanones (PMID:16956664, 16455660, 8561959, 11369822, 10443478, 16365058). DOPAC can be found in Gram-positive bacteria (PMID:24752840). (3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate. 3,4-Dihydroxyphenylacetic acid is a natural product found in Liatris elegans, Tragopogon orientalis, and other organisms with data available. A deaminated metabolite of LEVODOPA. 3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine. 3,4-Dihydroxyphenylacetic acid is found in many foods, some of which are alaska blueberry, cauliflower, ucuhuba, and fox grape. 3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.

   

NCIOpen2_001552

2-Hydroxy-4-methoxybenzoic acid, 99\\%

C8H8O4 (168.0423)


4-methoxysalicylic acid is a methoxybenzoic acid. 4-Methoxysalicylic acid is a natural product found in Haplophyllum thesioides, Calophyllum polyanthum, and other organisms with data available. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.

   

6-Methoxysalicylsaure

InChI=1/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


6-Methoxysalicylic acid is a methoxybenzoic acid. 2-Hydroxy-6-methoxybenzoic acid is a natural product found in Colchicum kurdicum, Colchicum manissadjianii, and other organisms with data available. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].

   

Griffonilide

2(6H)-Benzofuranone,7,7a-dihydro-6,7-dihydroxy-, (6R,7S,7aS)-

C8H8O4 (168.0423)


Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2]. Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2].

   

Norcantharidin

4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride

C8H8O4 (168.0423)


D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.176 (Rac)-Norcantharidin ((Rac)-NCTD) is the isoform of Norcantharidin, which is a synthetic and demethylated anticancer agent derived from Cantharidin (HY-N0209). Norcantharidin has lighter side effects and stronger bioactivity than Cantharidin. And Norcantharidin inhibits cell proliferation, migration and metastasis, and causes apoptosis and autophagy[1][2].

   

Xanthofusin

Xanthofusin

C8H8O4 (168.0423)


   

4-Hydroxy-2-methoxybenzoic acid

4-Hydroxy-2-methoxybenzoic acid

C8H8O4 (168.0423)


   

Phaeofuran A

(+)-Phaeofuran A

C8H8O4 (168.0423)


   

2,3-Dimethoxy-1,4-benzoquinone

2,3-Dimethoxy-1,4-benzoquinone

C8H8O4 (168.0423)


   

Orsellic acid

2,4-Dihydroxy-6-methylbenzoic acid

C8H8O4 (168.0423)


Orsellinic acid is a compound produced by Lecanoric acid treated with alcohols. Lecanoric acid is a lichen depside isolated from a Parmotrema tinctorum specimen[1].

   

isovanillic acid

InChI=1\C8H8O4\c1-12-7-3-2-5(8(10)11)4-6(7)9\h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

Methyl protocatechuate

Protocatechuic Acid Methyl Ester

C8H8O4 (168.0423)


Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].

   

3-Methoxysalicylic acid

2-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0423)


Benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3.

   

4-Methoxysalicylic acid

2-Hydroxy-4-methoxybenzoic acid

C8H8O4 (168.0423)


2-hydroxy-4-methoxybenzoic acid belongs to P-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. 2-hydroxy-4-methoxybenzoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-hydroxy-4-methoxybenzoic acid can be found in evening primrose, which makes 2-hydroxy-4-methoxybenzoic acid a potential biomarker for the consumption of this food product. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.

   

4-Acetyl-3-hydroxy-6-methyl-2H-pyran-2-one

4-Acetyl-3-hydroxy-6-methyl-2H-pyran-2-one

C8H8O4 (168.0423)


   

2-Hydroxy-6-methoxybenzoic acid

2-Hydroxy-6-methoxybenzoic acid

C8H8O4 (168.0423)


2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].

   

DEHYDROACETIC ACID

DEHYDROACETIC ACID

C8H8O4 (168.0423)


   

2,6-dihydroxy-4-methylbenzoic acid

2,6-dihydroxy-4-methylbenzoic acid

C8H8O4 (168.0423)


   

Citreopyrone C

Citreopyrone C

C8H8O4 (168.0423)


   

(3,4-dihydroxyphenyl) acetate

(3,4-dihydroxyphenyl) acetate

C8H8O4 (168.0423)


   

SCHEMBL11572784

SCHEMBL11572784

C8H8O4 (168.0423)


   

6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one

6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one

C8H8O4 (168.0423)


   

Methyl 2,6-dihydroxybenzoate

Methyl 2,6-dihydroxybenzoate

C8H8O4 (168.0423)


Methyl 2,6-dihydroxybenzoate is a volatile, that can be isolated from whole flowers and corolla of Primula spectabilis[1].

   

3,5-dihydroxy-4-methoxybenzaldehyde

3,5-dihydroxy-4-methoxybenzaldehyde

C8H8O4 (168.0423)


   

1-Oxo-4-hydroxy-2-en-4-ethylcyclohexa-5,8-olide

1-Oxo-4-hydroxy-2-en-4-ethylcyclohexa-5,8-olide

C8H8O4 (168.0423)


   

UNII-O5B86UKP9U

UNII-O5B86UKP9U

C8H8O4 (168.0423)


   

1-(3,4-Dihydroxyphenyl)-2-hydroxyethanone

1-(3,4-Dihydroxyphenyl)-2-hydroxyethanone

C8H8O4 (168.0423)


   

4-Hydroxy-6-(2-oxopropyl)-2H-pyran-2-one

4-Hydroxy-6-(2-oxopropyl)-2H-pyran-2-one

C8H8O4 (168.0423)


   

Methyl 3,4-dihydroxybenzoate

Methyl 3,4-dihydroxybenzoate

C8H8O4 (168.0423)


   

Methyl 3,5-dihydroxybenzoate

Methyl 3,5-dihydroxybenzoate

C8H8O4 (168.0423)


   

3,4-Dihydroxy-5-methoxybenzaldehyde

3,4-Dihydroxy-5-methoxybenzaldehyde

C8H8O4 (168.0423)


   

1-(3,4,5-trihydroxyphenyl)ethanone

1-(3,4,5-trihydroxyphenyl)ethanone

C8H8O4 (168.0423)


   

2-hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

2-hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

C8H8O4 (168.0423)


   

3-hydroxy-2-methyl-5-methoxy-1,4-benzoquinone

3-hydroxy-2-methyl-5-methoxy-1,4-benzoquinone

C8H8O4 (168.0423)


   

5-Acetoxymethyl-2-furaldehyde

5-Acetoxymethyl-2-furaldehyde

C8H8O4 (168.0423)


   

2,3-Dihydroxy-4-methoxybenzaldehyde

2,3-Dihydroxy-4-methoxybenzaldehyde

C8H8O4 (168.0423)


   

LKJLJGMBGVAJEG-UHFFFAOYSA-

LKJLJGMBGVAJEG-UHFFFAOYSA-

C8H8O4 (168.0423)


   

1-(2,4,5-trihydroxyphenyl)ethanone

1-(2,4,5-trihydroxyphenyl)ethanone

C8H8O4 (168.0423)


   

SCHEMBL1810961

SCHEMBL1810961

C8H8O4 (168.0423)


   

5-Hydroxy-2-methoxybenzoic acid

5-Hydroxy-2-methoxybenzoic acid

C8H8O4 (168.0423)


   

Fusarpyrone B

Fusarpyrone B

C8H8O4 (168.0423)


   

2,4-Dihydroxyphenylacetic acid

2,4-Dihydroxyphenylacetic acid

C8H8O4 (168.0423)


   

3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione

3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione

C8H8O4 (168.0423)


   

Nigrosporapyrone D

Nigrosporapyrone D

C8H8O4 (168.0423)


   

4-ethyl-2-oxo-2h-pyran-6-carboxylic

4-ethyl-2-oxo-2h-pyran-6-carboxylic

C8H8O4 (168.0423)


   

Methyl2,5-dihydroxybenzoate

Methyl 2,5-dihydroxybenzoate

C8H8O4 (168.0423)


   

Methyl 2,3-dihydroxybenzoate

Methyl 2,3-dihydroxybenzoate

C8H8O4 (168.0423)


   

6-methyl-2-oxo-2H-pyran-4-yl acetate

6-methyl-2-oxo-2H-pyran-4-yl acetate

C8H8O4 (168.0423)


   

Fumigatin

Fumigatin

C8H8O4 (168.0423)


A member of the class of monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone which is substituted by a methoxy, hydroxy and methyl group at positions 2,3 and 5, respectively. It is a mycotoxin isolated from Aspergillus fumigatus.

   

3-hydroxy-4-(hydroxymethyl)benzoic acid

3-hydroxy-4-(hydroxymethyl)benzoic acid

C8H8O4 (168.0423)


   

METHYL 2,4-DIHYDROXYBENZOATE

METHYL 2,4-DIHYDROXYBENZOATE

C8H8O4 (168.0423)


Methyl 2,4-dihydroxybenzoate is an active compound. Methyl 2,4-dihydroxybenzoate can be used for the research of various biochemical studies[1].

   

2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone

2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone

C8H8O4 (168.0423)


   

Gallacetophenone

2,3,4-Trihydroxyacetophenone

C8H8O4 (168.0423)


   

dephostatin

dephostatin

C7H8N2O3 (168.0535)


   

Griffonilide

2(6H)-Benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, [6R-(6alpha,7beta,7abeta)]-

C8H8O4 (168.0423)


Griffonilide is a natural product found in Semiaquilegia adoxoides and Piliostigma thonningii with data available. Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2]. Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2].

   

MDHB compound

InChI=1/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3

C8H8O4 (168.0423)


Methyl 3,4-dihydroxybenzoate is a methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. It has a role as an antioxidant, a neuroprotective agent and a plant metabolite. It is a methyl ester and a member of catechols. It is functionally related to a 3,4-dihydroxybenzoic acid. Methyl 3,4-dihydroxybenzoate is a natural product found in Smilax bracteata, Rhododendron simsii, and other organisms with data available. See also: Acai fruit pulp (part of). A methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].

   

2,4,6-Trihydroxyaceto-phenone

2,4,6-Trihydroxyaceto-phenone

C8H8O4 (168.0423)


Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00013.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00012.jpg

   

3-Hydroxymandelic acid

3-Hydroxymandelic acid

C8H8O4 (168.0423)


D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids A 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3. Acquisition and generation of the data is financially supported in part by CREST/JST. 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.

   

3,4-dihydroxyphenylacetic acid

3,4-Dihydroxybenzeneacetic acid

C8H8O4 (168.0423)


3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.

   

Methyl vanillate

Methyl vanillate

C8H8O4 (168.0423)


   

Homogentisate

Homogentisic acid

C8H8O4 (168.0423)


Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.

   

Homogentisic acid

Homogentisic acid

C8H8O4 (168.0423)


A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.

   

5-Methoxysalicylic acid

5-Methoxysalicylic acid

C8H8O4 (168.0423)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].

   

Vanillic Acid

Vanillic acid hexoside

C8H8O4 (168.0423)


Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].

   

4-hydroxymandelic acid

4-hydroxymandelic acid

C8H8O4 (168.0423)


   

2,6-Dimethoxyquinone

2,6-Dimethoxy-1,4-benzoquinone

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

orsellinic acid

orsellinic acid

C8H8O4 (168.0423)


   

Phloracetophenone

2,4,6-Trihydroxyacetophenone Monohydrate

C8H8O4 (168.0423)


Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].

   

2,4,6-Trihydroxyacetophenone

"2,4,6-Trihydroxyacetophenone"

C8H8O4 (168.0423)


   

Alcapton

InChI=1\C8H8O4\c9-6-1-2-7(10)5(3-6)4-8(11)12\h1-3,9-10H,4H2,(H,11,12

C8H8O4 (168.0423)


Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.

   

3,4-dihydroxyphenylacetate

3,4-dihydroxyphenylacetate

C8H8O4 (168.0423)


   

Vanillic acid; LC-tDDA; CE10

Vanillic acid; LC-tDDA; CE10

C8H8O4 (168.0423)


   

Vanillic acid; LC-tDDA; CE20

Vanillic acid; LC-tDDA; CE20

C8H8O4 (168.0423)


   

Vanillic acid; LC-tDDA; CE30

Vanillic acid; LC-tDDA; CE30

C8H8O4 (168.0423)


   

Vanillic acid; LC-tDDA; CE40

Vanillic acid; LC-tDDA; CE40

C8H8O4 (168.0423)


   

Orsellinic Acid_major

Orsellinic Acid_major

C8H8O4 (168.0423)


   

Phloracetophenone_major

Phloracetophenone_major

C8H8O4 (168.0423)


   

2,6-Dimethoxyquinone_major

2,6-Dimethoxyquinone_major

C8H8O4 (168.0423)


   

3-Hydroxy-4-methoxybenzoic acid

3-Hydroxy-4-methoxybenzoic acid

C8H8O4 (168.0423)


   

5-Methoxysalicylate

2-Hydroxy-5-methoxybenzoic acid

C8H8O4 (168.0423)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].

   

3-Hydroxymandelate

2-Hydroxy-2-(3-hydroxyphenyl)acetic acid

C8H8O4 (168.0423)


D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.

   

Dehydracetic acid

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

C8H8O4 (168.0423)


   

Anteyl

1,1',1'',1'''-[Dithiobis(carbonothioylnitrilo)]tetraethane

C8H8O4 (168.0423)


   

O-Vanillic acid

2-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0423)


   

2-hydroxy-6-pentafluoroethyl-pyrimidine-5-carboxylic acid

2-hydroxy-6-pentafluoroethyl-pyrimidine-5-carboxylic acid

C7H8N2O3 (168.0535)


   

1H-Isoindol-3-amine hydrochloride

1H-Isoindol-3-amine hydrochloride

C8H9ClN2 (168.0454)


   

8-METHYL-IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE

8-METHYL-IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE

C8H9ClN2 (168.0454)


   

3,4-dihydroxybenzhydrazide

3,4-dihydroxybenzhydrazide

C7H8N2O3 (168.0535)


   

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester (9CI)

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester (9CI)

C7H8N2O3 (168.0535)


   

2,2,2-Trifluoroethyl methacrylate

2,2,2-Trifluoroethyl methacrylate

C6H7F3O2 (168.0398)


   

(5-Formyl-2-furyl)methyl acetate

(5-Formyl-2-furyl)methyl acetate

C8H8O4 (168.0423)


   

3,5-Dihydroxy-4-methylbenzoic acid

3,5-Dihydroxy-4-methylbenzoic acid

C8H8O4 (168.0423)


   

2,4-Difluorocinnamadehyde

2,4-Difluorocinnamadehyde

C9H6F2O (168.0387)


   

O,S-DIETHYL METHYLPHOSPHONOTHIOATE

O,S-DIETHYL METHYLPHOSPHONOTHIOATE

C5H13O2PS (168.0374)


   

Benzeneacetonitrile,4-amino-, hydrochloride (1:1)

Benzeneacetonitrile,4-amino-, hydrochloride (1:1)

C8H9ClN2 (168.0454)


   

2-(4-chloro-phenyl)-acetamidine

2-(4-chloro-phenyl)-acetamidine

C8H9ClN2 (168.0454)


   

ETHYL 6-OXO-1,6-DIHYDROPYRIDAZINE-4-CARBOXYLATE

ETHYL 6-OXO-1,6-DIHYDROPYRIDAZINE-4-CARBOXYLATE

C7H8N2O3 (168.0535)


   

4-HYDROXY-2-TRIFLUOROMETHYLPENTANOIC ACID LACTONE

4-HYDROXY-2-TRIFLUOROMETHYLPENTANOIC ACID LACTONE

C6H7F3O2 (168.0398)


   

3,5-Dimethyl-4-nitropyridine 1-oxide

3,5-Dimethyl-4-nitropyridine 1-oxide

C7H8N2O3 (168.0535)


   

4-(N-METHYLAMINO)-3-NITRO PHENOL

4-(N-METHYLAMINO)-3-NITRO PHENOL

C7H8N2O3 (168.0535)


   

(3-Fluoro-2-formylphenyl)boronic acid

(3-Fluoro-2-formylphenyl)boronic acid

C7H6BFO3 (168.0394)


   

1-(Trifluoromethyl)cyclobutanecarboxylic acid

1-(Trifluoromethyl)cyclobutanecarboxylic acid

C6H7F3O2 (168.0398)


   

2,3-Dihydroxy-4-methylbenzoic acid

2,3-Dihydroxy-4-methylbenzoic acid

C8H8O4 (168.0423)


   

Methyl 6-amino-5-hydroxy-2-pyridinecarboxylate

Methyl 6-amino-5-hydroxy-2-pyridinecarboxylate

C7H8N2O3 (168.0535)


   

ETHYL3-(3,5-DIFLUOROPHENYL)-3-OXO PROPANOATE

ETHYL3-(3,5-DIFLUOROPHENYL)-3-OXO PROPANOATE

C8H9ClN2 (168.0454)


   

2-Difluoromethyl-1H-benzoimidazole

2-Difluoromethyl-1H-benzoimidazole

C8H6F2N2 (168.0499)


   

2-ethoxy-5-nitropyridine

2-ethoxy-5-nitropyridine

C7H8N2O3 (168.0535)


   

4-Ethoxy-3-nitropyridine

4-Ethoxy-3-nitropyridine

C7H8N2O3 (168.0535)


   

3-Amino-5-methoxyisonicotinic acid

3-Amino-5-methoxyisonicotinic acid

C7H8N2O3 (168.0535)


   

3,5-Dihydroxybenzhydrazide

3,5-Dihydroxybenzhydrazide

C7H8N2O3 (168.0535)


   

2-(4-methoxypyrimidin-2-yl)acetic acid

2-(4-methoxypyrimidin-2-yl)acetic acid

C7H8N2O3 (168.0535)


   

2,5-DIMETHYL-4-NITROPYRIDINE 1-OXIDE

2,5-DIMETHYL-4-NITROPYRIDINE 1-OXIDE

C7H8N2O3 (168.0535)


   

5-Methoxy-2-nitroaniline

5-Methoxy-2-nitroaniline

C7H8N2O3 (168.0535)


   

2-Methoxy-3-nitro-6-icoline

2-Methoxy-3-nitro-6-icoline

C7H8N2O3 (168.0535)


   

2,3-dihydroxy-5-methylbenzoic acid

2,3-dihydroxy-5-methylbenzoic acid

C8H8O4 (168.0423)


   

5,6-Difluoroindanone

5,6-Difluoroindanone

C9H6F2O (168.0387)


   

1H-Indol-2-amine Hydrochloride

1H-Indol-2-amine Hydrochloride

C8H9ClN2 (168.0454)


   

2,4,6-trihydroxyacetophenone

2,4,6-trihydroxyacetophenone

C8H8O4 (168.0423)


   

3a-Hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione

3a-Hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione

C8H8O4 (168.0423)


   

2-Amino-6-methyl-4-nitrophenol

2-Amino-6-methyl-4-nitrophenol

C7H8N2O3 (168.0535)


   

ethyl 5-formylfuran-3-carboxylate

ethyl 5-formylfuran-3-carboxylate

C8H8O4 (168.0423)


   

3,4-dihydroxy-2-methyl benzoicacid

3,4-dihydroxy-2-methyl benzoicacid

C8H8O4 (168.0423)


   

METHYL 2-HYDROXY-6-METHYLPYRIMIDINE-4-CARBOXYLATE

METHYL 2-HYDROXY-6-METHYLPYRIMIDINE-4-CARBOXYLATE

C7H8N2O3 (168.0535)


   

7-Chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

7-Chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

C8H9ClN2 (168.0454)


   

(2-Fluoro-4-formylphenyl)boronic acid

(2-Fluoro-4-formylphenyl)boronic acid

C7H6BFO3 (168.0394)


   

2-Amino-6-nitro-p-cresol

2-Amino-6-nitro-p-cresol

C7H8N2O3 (168.0535)


   

[2-(Methylsulfanyl)phenyl]boronic acid

[2-(Methylsulfanyl)phenyl]boronic acid

C7H9BO2S (168.0416)


   

3-(aminomethyl)benzonitrile,hydrochloride

3-(aminomethyl)benzonitrile,hydrochloride

C8H9ClN2 (168.0454)


   

methyl 2-methoxypyrimidine-4-carboxylate

methyl 2-methoxypyrimidine-4-carboxylate

C7H8N2O3 (168.0535)


   

3-HYDROXY-6-METHYL-2,3-DIHYDRO-4H-FURO[3,2-C]PYRAN-4-ONE

3-HYDROXY-6-METHYL-2,3-DIHYDRO-4H-FURO[3,2-C]PYRAN-4-ONE

C8H8O4 (168.0423)


   

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester

C6H7F3O2 (168.0398)


   

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

C7H8N2O3 (168.0535)


   

6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

C7H8N2O3 (168.0535)


   

N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide

N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide

C5H7F3N2O (168.051)


   

4-Methoxy-3-nitroaniline

4-Methoxy-3-nitroaniline

C7H8N2O3 (168.0535)


   

3,6-dimethyl-5-nitropyridin-2-ol

3,6-dimethyl-5-nitropyridin-2-ol

C7H8N2O3 (168.0535)


   

(6-methyl-5-nitropyridin-2-yl)methanol

(6-methyl-5-nitropyridin-2-yl)methanol

C7H8N2O3 (168.0535)


   

6-Chloro-1,2,3,4-tetrahydro-2,7-naphthyridine

6-Chloro-1,2,3,4-tetrahydro-2,7-naphthyridine

C8H9ClN2 (168.0454)


   

methyl 2-(5-hydroxypyrimidin-2-yl)acetate

methyl 2-(5-hydroxypyrimidin-2-yl)acetate

C7H8N2O3 (168.0535)


   

(3Z)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

(3Z)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

C6H7F3O2 (168.0398)


   

1,6-Dihydro-6-oxo-4-pyriMidinecarboxylic acid ethyl ester

1,6-Dihydro-6-oxo-4-pyriMidinecarboxylic acid ethyl ester

C7H8N2O3 (168.0535)


   

5,6-dimethyl-3-nitro-1H-pyridin-2-one

5,6-dimethyl-3-nitro-1H-pyridin-2-one

C7H8N2O3 (168.0535)


   

2-(3-AMINO-2-OXOPYRIDIN-1(2H)-YL)ACETIC ACID

2-(3-AMINO-2-OXOPYRIDIN-1(2H)-YL)ACETIC ACID

C7H8N2O3 (168.0535)


   

3,5-difluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

3,5-difluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C9H6F2O (168.0387)


   

Amyl acid phosphate

Amyl acid phosphate

C5H13O4P (168.0551)


   

2,6-Dimethyl-4-nitropyridine 1-oxide

2,6-Dimethyl-4-nitropyridine 1-oxide

C7H8N2O3 (168.0535)


   

4,6-dimethyl-2-oxo-2H-pyran-5-carboxylic acid

2H-Pyran-5-carboxylicacid, 4,6-dimethyl-2-oxo-

C8H8O4 (168.0423)


   

4-(Aminomethyl)benzonitrile hydrochloride

4-(Aminomethyl)benzonitrile hydrochloride

C8H9ClN2 (168.0454)


   

5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid

5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid

C7H8N2O3 (168.0535)


   

3-methoxy-5-nitroaniline

3-methoxy-5-nitroaniline

C7H8N2O3 (168.0535)


   

2-nitro-1-pyridin-4-ylethanol

2-nitro-1-pyridin-4-ylethanol

C7H8N2O3 (168.0535)


   

3-nitro-6-hydroxy-2,4-dimethylpyridine

3-nitro-6-hydroxy-2,4-dimethylpyridine

C7H8N2O3 (168.0535)


   

(2S,4S)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE

(2S,4S)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE

C5H10ClFN2O (168.0466)


   

ethyl 5-formyl-1H-pyrazole-3-carboxylate

ethyl 5-formyl-1H-pyrazole-3-carboxylate

C7H8N2O3 (168.0535)


   

2-hydroxymethyl-3-methyl-4-nitropyridine

2-hydroxymethyl-3-methyl-4-nitropyridine

C7H8N2O3 (168.0535)


   

2-FLUORO-3-FORMYLPHENYLBORONIC ACID

2-FLUORO-3-FORMYLPHENYLBORONIC ACID

C7H6BFO3 (168.0394)


   

2-(2-(2-Chloroethoxy)ethoxy)ethanol

2-(2-(2-Chloroethoxy)ethoxy)ethanol

C6H13ClO3 (168.0553)


   

2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C8H9ClN2 (168.0454)


   

1H-Indol-2-amine hydrochloride (1:1)

1H-Indol-2-amine hydrochloride (1:1)

C8H9ClN2 (168.0454)


   

4-(Methylthio)phenylboronic acid

4-(Methylthio)phenylboronic acid

C7H9BO2S (168.0416)


   

5-Ethoxy-2-pyrazinecarboxylic acid

5-Ethoxy-2-pyrazinecarboxylic acid

C7H8N2O3 (168.0535)


   

3-Methylbutyl dihydrogen phosphate

3-Methylbutyl dihydrogen phosphate

C5H13O4P (168.0551)


   

2-AMINO-6-METHOXY-NICOTINIC ACID

2-AMINO-6-METHOXY-NICOTINIC ACID

C7H8N2O3 (168.0535)


   

1H-indazole-4,5-dicarbonitrile

1H-indazole-4,5-dicarbonitrile

C9H4N4 (168.0436)


   

3-methoxy-4-methyl-2-nitropyridine

3-methoxy-4-methyl-2-nitropyridine

C7H8N2O3 (168.0535)


   

3-methoxy-2-methyl-6-nitropyridine

3-methoxy-2-methyl-6-nitropyridine

C7H8N2O3 (168.0535)


   

6-Methoxy-3-nitro-2-icoline

6-Methoxy-3-nitro-2-icoline

C7H8N2O3 (168.0535)


   

1,7-dichloroheptane

1,7-dichloroheptane

C7H14Cl2 (168.0473)


   

2-(2-Aminophenyl)acetonitrile hydrochloride

2-(2-Aminophenyl)acetonitrile hydrochloride

C8H9ClN2 (168.0454)


   

Ethyl 3-pyridazinone-6-carboxylate

Ethyl 3-pyridazinone-6-carboxylate

C7H8N2O3 (168.0535)


   

4,7-Difluoroindan-1-one

4,7-Difluoroindan-1-one

C9H6F2O (168.0387)


   

5-Acetyl-4-hydroxy-2-methoxypyrimidine

5-Acetyl-4-hydroxy-2-methoxypyrimidine

C7H8N2O3 (168.0535)


   

4-Nitro-o-anisidine

4-Nitro-o-anisidine

C7H8N2O3 (168.0535)


   

4,6-Difluoro-2-methyl-1H-benzo[d]imidazole

4,6-Difluoro-2-methyl-1H-benzo[d]imidazole

C8H6F2N2 (168.0499)


   

7-(Difluoromethyl)-1H-indazole

7-(Difluoromethyl)-1H-indazole

C8H6F2N2 (168.0499)


   

5,7-Difluoro-1H-indol-2-amine

5,7-Difluoro-1H-indol-2-amine

C8H6F2N2 (168.0499)


   

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid

C7H8N2O3 (168.0535)


   

4-Fluoro-2-formylphenylboronic acid

4-Fluoro-2-formylphenylboronic acid

C7H6BFO3 (168.0394)


   

(2S,4R)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE

(2S,4R)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE

C5H10ClFN2O (168.0466)


   

1H-benzimidazole, 1-(difluoromethyl)-

1H-benzimidazole, 1-(difluoromethyl)-

C8H6F2N2 (168.0499)


   

5-(Difluoromethyl)-1H-indazole

5-(Difluoromethyl)-1H-indazole

C8H6F2N2 (168.0499)


   

(2-Amino-6-nitrophenyl)methanol

(2-Amino-6-nitrophenyl)methanol

C7H8N2O3 (168.0535)


   

2,4(1H,3H)-Pyrimidinedione,1-acetyl-6-methyl-

2,4(1H,3H)-Pyrimidinedione,1-acetyl-6-methyl-

C7H8N2O3 (168.0535)


   

4-Methoxy-2-methyl-5-nitropyridine

4-Methoxy-2-methyl-5-nitropyridine

C7H8N2O3 (168.0535)


   

(2-Chloroethyl)(dimethoxy)methylsilane

(2-Chloroethyl)(dimethoxy)methylsilane

C5H13ClO2Si (168.0373)


   

METHYL-1-(TRIFLUOROMETHYL)CYCLOPROPANECARBOXYLATE

METHYL-1-(TRIFLUOROMETHYL)CYCLOPROPANECARBOXYLATE

C6H7F3O2 (168.0398)


   

5-(1,3-Dioxolan-2-yl)-2-furaldehyde

5-(1,3-Dioxolan-2-yl)-2-furaldehyde

C8H8O4 (168.0423)


   

Maltol acetate

Maltol acetate

C8H8O4 (168.0423)


   

3-CHLORO-4-METHYL-BENZAMIDINE

3-CHLORO-4-METHYL-BENZAMIDINE

C8H9ClN2 (168.0454)


   

2-Methoxy-5-nitro-3-picoline

2-Methoxy-5-nitro-3-picoline

C7H8N2O3 (168.0535)


   

5,7-Difluoro-1-indanone

5,7-Difluoro-1-indanone

C9H6F2O (168.0387)


   

(2-Fluoro-5-formylphenyl)boronic acid

(2-Fluoro-5-formylphenyl)boronic acid

C7H6BFO3 (168.0394)


   

2-(3-chlorophenyl)ethanimidamide

2-(3-chlorophenyl)ethanimidamide

C8H9ClN2 (168.0454)


   

Ethyl 4-formyl-1H-pyrazole-3-carboxylate

Ethyl 4-formyl-1H-pyrazole-3-carboxylate

C7H8N2O3 (168.0535)


   

3,5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde

3,5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde

C7H8N2O3 (168.0535)


   

4-(Aminomethyl)-2,6-difluorobenzonitrile

4-(Aminomethyl)-2,6-difluorobenzonitrile

C8H6F2N2 (168.0499)


   

2-Methoxy-4-methyl-3-nitropyridine

2-Methoxy-4-methyl-3-nitropyridine

C7H8N2O3 (168.0535)


   

3-(5-HYDROXYMETHYL-FURAN-2-YL)-ACRYLIC ACID

3-(5-HYDROXYMETHYL-FURAN-2-YL)-ACRYLIC ACID

C8H8O4 (168.0423)


   

3,4-(METHYLENEDIOXY)-5-HYDROXY-BENZYLALCOHOL

3,4-(METHYLENEDIOXY)-5-HYDROXY-BENZYLALCOHOL

C8H8O4 (168.0423)


   

(2-methyl-6-oxopyran-4-yl) acetate

(2-methyl-6-oxopyran-4-yl) acetate

C8H8O4 (168.0423)


   

1H-Benzimidazole-5,6-dicarbonitrile(9CI)

1H-Benzimidazole-5,6-dicarbonitrile(9CI)

C9H4N4 (168.0436)


   

5-formyl-2,4-dimethoxypyrimidine

5-formyl-2,4-dimethoxypyrimidine

C7H8N2O3 (168.0535)


   

3-HYDROXY-2-METHOXYBENZOIC ACID

3-HYDROXY-2-METHOXYBENZOIC ACID

C8H8O4 (168.0423)


   

ethyl 5-vinyl-1,2,4-oxadiazole-3-carboxylate

ethyl 5-vinyl-1,2,4-oxadiazole-3-carboxylate

C7H8N2O3 (168.0535)


   

3-Ethoxy-2-nitropyridine

3-Ethoxy-2-nitropyridine

C7H8N2O3 (168.0535)


   

Pentyl dihydrogen phosphate

Pentyl dihydrogen phosphate

C5H13O4P (168.0551)


   

2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

C7H8N2O3 (168.0535)


   

2-(Aminomethyl)benzonitrile hydrochloride

2-(Aminomethyl)benzonitrile hydrochloride

C8H9ClN2 (168.0454)


   

1H-indol-4-amine,hydrochloride

1H-indol-4-amine,hydrochloride

C8H9ClN2 (168.0454)


   

Methyl 6-methoxy-2-pyrazinecarboxylate

Methyl 6-methoxy-2-pyrazinecarboxylate

C7H8N2O3 (168.0535)


   

4,5-Difluorindan-1-on

4,5-Difluorindan-1-on

C9H6F2O (168.0387)


   

Pyrazinecarboxylic acid 4,5-dihydro-6-methyl-5-oxo-methyl ester

Pyrazinecarboxylic acid 4,5-dihydro-6-methyl-5-oxo-methyl ester

C7H8N2O3 (168.0535)


   

6,7-difluoro-2,3-dihydro-1H-inden-1-one

6,7-difluoro-2,3-dihydro-1H-inden-1-one

C9H6F2O (168.0387)


   

1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)

1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)

C7H8N2O3 (168.0535)


   

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

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

C9H4N4 (168.0436)


   

2,3-Dimethyl-4-nitropyridine 1-oxide

2,3-Dimethyl-4-nitropyridine 1-oxide

C7H8N2O3 (168.0535)


   

ETHYL 2-OXO-1,2-DIHYDROPYRIMIDINE-4-CARBOXYLATE

ETHYL 2-OXO-1,2-DIHYDROPYRIMIDINE-4-CARBOXYLATE

C7H8N2O3 (168.0535)


   

(2-(Methylthio)phenyl)boronic acid

(2-(Methylthio)phenyl)boronic acid

C7H9BO2S (168.0416)


   

3-Amino-2-methoxy-4-pyridinecarboxylic acid

3-Amino-2-methoxy-4-pyridinecarboxylic acid

C7H8N2O3 (168.0535)


   

1,4-Difluoro-2-(prop-2-yn-1-yloxy)benzene

1,4-Difluoro-2-(prop-2-yn-1-yloxy)benzene

C9H6F2O (168.0387)


   

5,8-Difluoro-2H-chromene

5,8-Difluoro-2H-chromene

C9H6F2O (168.0387)


   

(3-Fluoro-4-formylphenyl)boronic acid

(3-Fluoro-4-formylphenyl)boronic acid

C7H6BFO3 (168.0394)


   

2-HYDROXYMETHYL-6-METHOXY-1,4-BENZOQUINONE

2-HYDROXYMETHYL-6-METHOXY-1,4-BENZOQUINONE

C8H8O4 (168.0423)


   

2,3-dihydro-1,4-benzodioxine-6,7-diol

2,3-dihydro-1,4-benzodioxine-6,7-diol

C8H8O4 (168.0423)


   

Ethyl 2-oxo-1,2-dihydro-5-pyrimidinecarboxylate

Ethyl 2-oxo-1,2-dihydro-5-pyrimidinecarboxylate

C7H8N2O3 (168.0535)


   

4-Amino-6-Methoxy-nicotinic acid

4-Amino-6-Methoxy-nicotinic acid

C7H8N2O3 (168.0535)


   

methyl 2-methoxypyrimidine-5-carboxylate

methyl 2-methoxypyrimidine-5-carboxylate

C7H8N2O3 (168.0535)


   

5,6-Difluorindan-1-on

5,6-Difluorindan-1-on

C9H6F2O (168.0387)


   

3-(3,4-difluorophenyl)prop-2-yn-1-ol

3-(3,4-difluorophenyl)prop-2-yn-1-ol

C9H6F2O (168.0387)


   

N-(PYRIDIN-3-YL)HYDRAZINECARBOTHIOAMIDE

N-(PYRIDIN-3-YL)HYDRAZINECARBOTHIOAMIDE

C6H8N4S (168.047)


   

o,o-diethyl methylphosphonothioate

o,o-diethyl methylphosphonothioate

C5H13O2PS (168.0374)


   

2-phenylglycinonitrile hydrochloride

2-phenylglycinonitrile hydrochloride

C8H9ClN2 (168.0454)


   

Ethyl 3-hydroxypyridazine-4-carboxylate

Ethyl 3-hydroxypyridazine-4-carboxylate

C7H8N2O3 (168.0535)


   

methyl 3-methoxypyrazine-2-carboxylate

methyl 3-methoxypyrazine-2-carboxylate

C7H8N2O3 (168.0535)


   

2-Methoxy-6-nitroaniline

2-Methoxy-6-nitroaniline

C7H8N2O3 (168.0535)


   

3-Methoxy-4-nitroaniline

3-Methoxy-4-nitroaniline

C7H8N2O3 (168.0535)


   

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

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

C9H4N4 (168.0436)


   

3-Methoxy-2-nitroaniline

3-Methoxy-2-nitroaniline

C7H8N2O3 (168.0535)


   

Ethyl 4-hydroxypyrimidine-5-carboxylate

Ethyl 4-hydroxypyrimidine-5-carboxylate

C7H8N2O3 (168.0535)


   

4-Chloro-5,6,7,8-tetrahydro-quinazoline

4-Chloro-5,6,7,8-tetrahydro-quinazoline

C8H9ClN2 (168.0454)


   

Diethyl (hydroxymethyl)phosphonate

Diethyl (hydroxymethyl)phosphonate

C5H13O4P (168.0551)


   

4-Methoxy-2-nitroaniline

4-Methoxy-2-nitroaniline

C7H8N2O3 (168.0535)


   

2-Methoxy-5-nitro-4-icoline

2-Methoxy-5-nitro-4-icoline

C7H8N2O3 (168.0535)


   

3,5-Dihydroxyphenylacetic Acid

3,5-Dihydroxyphenylacetic Acid

C8H8O4 (168.0423)


   

1H-indol-3-amine,hydrochloride

1H-indol-3-amine,hydrochloride

C8H9ClN2 (168.0454)


   

Benzeneacetonitrile, a-amino-, hydrochloride (1:1)

Benzeneacetonitrile, a-amino-, hydrochloride (1:1)

C8H9ClN2 (168.0454)


   

3-Amino-6-methoxy-2-pyridinecarboxylic acid

3-Amino-6-methoxy-2-pyridinecarboxylic acid

C7H8N2O3 (168.0535)


   

4,6-DIMETHOXYPYRIMIDINE-2-CARBOXALDEHYDE

4,6-DIMETHOXYPYRIMIDINE-2-CARBOXALDEHYDE

C7H8N2O3 (168.0535)


   

2-hydroxy-5-(hydroxymethyl)benzoic acid

2-hydroxy-5-(hydroxymethyl)benzoic acid

C8H8O4 (168.0423)


   

2,5-Dihydroxybenzohydrazide

Benzoicacid, 2,5-dihydroxy-, hydrazide

C7H8N2O3 (168.0535)


   

3,4-Dimethoxycyclohexa-2,4-diene-1,6-dione

3,4-Dimethoxycyclohexa-2,4-diene-1,6-dione

C8H8O4 (168.0423)


   

2-(3-nitropyridin-2-yl)ethanol

2-(3-nitropyridin-2-yl)ethanol

C7H8N2O3 (168.0535)


   

2-Nitro-1-(3-pyridinyl)ethanol

2-Nitro-1-(3-pyridinyl)ethanol

C7H8N2O3 (168.0535)


   

methyl 2-amino-6-oxo-1H-pyridine-4-carboxylate

methyl 2-amino-6-oxo-1H-pyridine-4-carboxylate

C7H8N2O3 (168.0535)


   

2-(5-methoxypyrazin-2-yl)acetic acid

2-(5-methoxypyrazin-2-yl)acetic acid

C7H8N2O3 (168.0535)


   

1H-Inden-1-one,2,2-difluoro-2,3-dihydro-

1H-Inden-1-one,2,2-difluoro-2,3-dihydro-

C9H6F2O (168.0387)


   

2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine

2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine

C8H9ClN2 (168.0454)


   

5-Chloro-1,2,3,4-tetrahydro-1,6-naphthyridine

5-Chloro-1,2,3,4-tetrahydro-1,6-naphthyridine

C8H9ClN2 (168.0454)


   

Ethyl-(2E)-4,4,4-trifluorbut-2-enoat

Ethyl-(2E)-4,4,4-trifluorbut-2-enoat

C6H7F3O2 (168.0398)


   

1,1,1-trifluorohexane-2,4-dione

1,1,1-trifluorohexane-2,4-dione

C6H7F3O2 (168.0398)


   

4-HYDROXYPHENYLGLYOXAL HYDRATE

4-HYDROXYPHENYLGLYOXAL HYDRATE

C8H8O4 (168.0423)


   

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

C6H7F3O2 (168.0398)


   

6-Chloro-1,2,3,4-tetrahydro-quinoxaline

6-Chloro-1,2,3,4-tetrahydro-quinoxaline

C8H9ClN2 (168.0454)


   

2,4-dihydroxybenzhydrazide

2,4-dihydroxybenzhydrazide

C7H8N2O3 (168.0535)


   

3-FLUORO-5-FORMYLPHENYLBORONIC ACID

3-FLUORO-5-FORMYLPHENYLBORONIC ACID

C7H6BFO3 (168.0394)


   

methyl 5-formyl-2-methylfuran-3-carboxylate

methyl 5-formyl-2-methylfuran-3-carboxylate

C8H8O4 (168.0423)


   

2,6-Difluorocinnamaldehyde

2,6-Difluorocinnamaldehyde

C9H6F2O (168.0387)


   

2-Amino-4-methoxynicotinic acid

2-Amino-4-methoxynicotinic acid

C7H8N2O3 (168.0535)


   

(3-Amino-5-nitrophenyl)methanol

(3-Amino-5-nitrophenyl)methanol

C7H8N2O3 (168.0535)


   

6-HYDROXY-2-METHYL-PYRIMIDINE-4-ACETIC ACID

6-HYDROXY-2-METHYL-PYRIMIDINE-4-ACETIC ACID

C7H8N2O3 (168.0535)


   

5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

C8H9ClN2 (168.0454)


   

6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE

6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE

C8H9ClN2 (168.0454)


   

(2-amino-3-nitro-phenyl)-methanol

(2-amino-3-nitro-phenyl)-methanol

C7H8N2O3 (168.0535)


   

2-Amino-4-nitrobenzenemethanol

2-Amino-4-nitrobenzenemethanol

C7H8N2O3 (168.0535)


   

(5-Fluoro-2-formylphenyl)boronic acid

(5-Fluoro-2-formylphenyl)boronic acid

C7H6BFO3 (168.0394)


   

3-Pyridinecarboxamide,1,2-dihydro-4-hydroxy-6-methyl-2-oxo-

3-Pyridinecarboxamide,1,2-dihydro-4-hydroxy-6-methyl-2-oxo-

C7H8N2O3 (168.0535)


   

4-Amino-2-hydroxybenzohydroxamic acid

4-Amino-2-hydroxybenzohydroxamic acid

C7H8N2O3 (168.0535)


   

1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

C7H8N2O3 (168.0535)


   

4-(2-furyl)-4-oxobutanoic acid

4-(2-furyl)-4-oxobutanoic acid

C8H8O4 (168.0423)


   

2-Ethoxy-4-nitropyridine

2-Ethoxy-4-nitropyridine

C7H8N2O3 (168.0535)


   

1,3-Dimethyluracil-5-carboxaldehyde

1,3-Dimethyluracil-5-carboxaldehyde

C7H8N2O3 (168.0535)


   

3-Methoxy-6-methyl-2-nitropyridine

3-Methoxy-6-methyl-2-nitropyridine

C7H8N2O3 (168.0535)


   

1H-Imidazole-4-carboxylicacid,5-formyl-,ethylester(9CI)

1H-Imidazole-4-carboxylicacid,5-formyl-,ethylester(9CI)

C7H8N2O3 (168.0535)


   

4-(2-Pyridyl)-3-thiosemicarbazide

4-(2-Pyridyl)-3-thiosemicarbazide

C6H8N4S (168.047)


   

5-Aminoindole hydrochloride

5-Aminoindole hydrochloride

C8H9ClN2 (168.0454)


   

3,4-Dimethyl-5-nitro-2(1H)-pyridinone

3,4-Dimethyl-5-nitro-2(1H)-pyridinone

C7H8N2O3 (168.0535)


   

3,5-Diaminosalicylic acid

3,5-Diaminosalicylic acid

C7H8N2O3 (168.0535)


   

5-acetyl-6-methyl-1H-pyrimidine-2,4-dione

5-acetyl-6-methyl-1H-pyrimidine-2,4-dione

C7H8N2O3 (168.0535)


   

Methyl 5-amino-6-hydroxypyridine-3-carboxylate

Methyl 5-amino-6-hydroxypyridine-3-carboxylate

C7H8N2O3 (168.0535)


   

2-Pyrimidinecarboxylicacid,4-methoxy-,methylester(9CI)

2-Pyrimidinecarboxylicacid,4-methoxy-,methylester(9CI)

C7H8N2O3 (168.0535)


   

1-Methyl-3-Amino-4-Cyano-5-Methylsulfanylpyrazole

1-Methyl-3-Amino-4-Cyano-5-Methylsulfanylpyrazole

C6H8N4S (168.047)


   

Acetic acid,2-(2-hydroxyphenoxy)-

Acetic acid,2-(2-hydroxyphenoxy)-

C8H8O4 (168.0423)


   

4-Fluoro-3-formylphenylboronic acid

4-Fluoro-3-formylphenylboronic acid

C7H6BFO3 (168.0394)


   

1,1,1-trifluoro-4-methoxy-3-penten-2-one

1,1,1-trifluoro-4-methoxy-3-penten-2-one

C6H7F3O2 (168.0398)


   

2-Chlorobenzeneethanimidamide

2-Chlorobenzeneethanimidamide

C8H9ClN2 (168.0454)


   

2,4-dihydroxy-5-Methoxybenzaldehyde

2,4-dihydroxy-5-Methoxybenzaldehyde

C8H8O4 (168.0423)


   

Methyl 3-(2-furyl)-3-oxopropanoate

Methyl 3-(2-furyl)-3-oxopropanoate

C8H8O4 (168.0423)


   

1H-Benzimidazole,4,5-difluoro-2-methyl-(9CI)

1H-Benzimidazole,4,5-difluoro-2-methyl-(9CI)

C8H6F2N2 (168.0499)


   

5-Methylimidazo[1,2-a]pyridine, HCl

5-Methylimidazo[1,2-a]pyridine, HCl

C8H9ClN2 (168.0454)


   

Ethyl 6-oxo-1,6-dihydropyridazine-3-carboxylate

Ethyl 6-oxo-1,6-dihydropyridazine-3-carboxylate

C7H8N2O3 (168.0535)


   

5-Amino-2-methoxyisonicotinic acid

5-Amino-2-methoxyisonicotinic acid

C7H8N2O3 (168.0535)


   

4,6-Dimethoxypyrimidine-5-carbaldehyde

4,6-Dimethoxypyrimidine-5-carbaldehyde

C7H8N2O3 (168.0535)


   

ETHYL 5-HYDROXYPYRAZINE-2-CARBOXYLATE

ETHYL 5-HYDROXYPYRAZINE-2-CARBOXYLATE

C7H8N2O3 (168.0535)


   

5-Ethoxy-2-nitropyridine

5-Ethoxy-2-nitropyridine

C7H8N2O3 (168.0535)


   

3-HYDROXY-6-METHOXYBENZOIC ACID

3-HYDROXY-6-METHOXYBENZOIC ACID

C8H8O4 (168.0423)


   

6-Chloroisoindolin-5-amine

6-Chloroisoindolin-5-amine

C8H9ClN2 (168.0454)


   

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

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

C7H8N2O3 (168.0535)


   

D-3,4-dihydroxyphenylglycolaldehyde

D-3,4-dihydroxyphenylglycolaldehyde

C8H8O4 (168.0423)


   

4-Hydroxy-3-(hydroxymethyl)benzoic acid

4-Hydroxy-3-(hydroxymethyl)benzoic acid

C8H8O4 (168.0423)


   

Monopentyl sulfate

Monopentyl sulfate

C5H12O4S (168.0456)


   

5-Hydroxy-2-pyridylglycine

5-Hydroxy-2-pyridylglycine

C7H8N2O3 (168.0535)


   

2,5-Dihydroxy-3-methylbenzoic acid

2,5-Dihydroxy-3-methylbenzoic acid

C8H8O4 (168.0423)


   

3-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine

3-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine

C4H4N6O2 (168.0396)


   

5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid

5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid

C8H8O4 (168.0423)


   

Vanillate

4-Hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0423)


Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].

   

AI3-31839

2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy- (9CI)

C8H8O4 (168.0423)


   

2150-43-8

Benzoic acid, 3,4-dihydroxy-, methyl ester

C8H8O4 (168.0423)


Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].

   

480-66-0

InChI=1\C8H8O4\c1-4(9)8-6(11)2-5(10)3-7(8)12\h2-3,10-12H,1H

C8H8O4 (168.0423)


Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].

   

530-55-2

2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-)

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

464139_ALDRICH

InChI=1\C8H8O4\c1-12-6-4-2-3-5(9)7(6)8(10)11\h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].

   

2-(Dimethylazaniumyl)ethyl phosphate

2-(Dimethylazaniumyl)ethyl phosphate

C4H11NO4P- (168.0426)


   

2.5-Dioxy-p-toluylsaure

2.5-Dioxy-p-toluylsaure

C8H8O4 (168.0423)


   

5-hydroxy-2-(3-DL-alanyl)-pyridine

5-hydroxy-2-(3-DL-alanyl)-pyridine

C7H8N2O3 (168.0535)


   

2,3-Diaminosalicylic acid

2,3-Diaminosalicylic acid

C7H8N2O3 (168.0535)


   

(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol

(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol

C5H9FO5 (168.0434)


   

CID 157010144

CID 157010144

C5H6N5O2 (168.0521)


   

2-Pyrroloylglycine

2-Pyrroloylglycine

C7H8N2O3 (168.0535)


   

methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate

methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate

C8H8O4 (168.0423)


   

(2E,4Z)-2-hydroxy-6-keto-octa-2,4,7-trienoic acid

(2E,4Z)-2-hydroxy-6-keto-octa-2,4,7-trienoic acid

C8H8O4 (168.0423)


   

4-Hydroxyphenoxyacetic acid

4-Hydroxyphenoxyacetic acid

C8H8O4 (168.0423)


   

3,4-Dihydroxymandelaldehyde

3,4-Dihydroxymandelaldehyde

C8H8O4 (168.0423)


A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions. It is a metabolite of noradrenaline. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid

(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid

C8H8O4 (168.0423)


   

(R)-4-hydroxymandelic acid

(R)-2-HYDROXY-2-(4-HYDROXYPHENYL)ACETIC ACID

C8H8O4 (168.0423)


D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids A 4-hydroxymandelic acid that has R-configuration.

   

(2,6-dihydroxyphenyl)acetic acid

(2,6-dihydroxyphenyl)acetic acid

C8H8O4 (168.0423)


   

N,N-dimethylethanolamine phosphate(1-)

N,N-dimethylethanolamine phosphate(1-)

C4H11NO4P (168.0426)


Conjugate base of N,N-dimethylethanolamine phosphate.

   

2,5-Dimethoxy-1,4-benzoquinone

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

C8H8O4 (168.0423)


   

Quinolacetic acid

Quinolacetic acid

C8H8O4 (168.0423)


   

3-hydroxy-5-methoxybenzoic acid

3-hydroxy-5-methoxybenzoic acid

C8H8O4 (168.0423)


   

tetraacetic acid lactone

tetraacetic acid lactone

C8H8O4 (168.0423)


A member of the class of 2-pyranones that is 2H-pyran-2-one which is substituted at positions 4 and 6 by hydroxy and acetonyl groups, respectively.

   

(3,5-dihydroxyphenyl)acetic acid

(3,5-dihydroxyphenyl)acetic acid

C8H8O4 (168.0423)


A monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring.

   

(3,4-DIHYDROXYPHENYL)ACETIC ACID

(3,4-DIHYDROXYPHENYL)ACETIC ACID

C8H8O4 (168.0423)


A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.

   

(S)-4-hydroxymandelic acid

(S)-4-hydroxymandelic acid

C8H8O4 (168.0423)


A 4-hydroxymandelic acid that has S-configuration.

   

(R)-3,4-dihydroxymandelaldehyde

(R)-3,4-dihydroxymandelaldehyde

C8H8O4 (168.0423)


A 3,4-dihydroxymandelaldehyde that has R-configuration.

   

Diaminosalicylic acid

Diaminosalicylic acid

C7H8N2O3 (168.0535)


   

Hydroxymethoxybenzoic acid

Hydroxymethoxybenzoic acid

C8H8O4 (168.0423)


   

Methoxynitroaniline

Methoxynitroaniline

C7H8N2O3 (168.0535)


   

Dihydroxymandelaldehyde

Dihydroxymandelaldehyde

C8H8O4 (168.0423)


   

Hydroxymandelic acid

Hydroxymandelic acid

C8H8O4 (168.0423)


   

Dihydroxybenzeneacetic acid

Dihydroxybenzeneacetic acid

C8H8O4 (168.0423)


   

Methoxysalicylic acid

Methoxysalicylic acid

C8H8O4 (168.0423)


   

(2e)-5-hydroxy-4-methyl-2-(2-oxopropylidene)furan-3-one

(2e)-5-hydroxy-4-methyl-2-(2-oxopropylidene)furan-3-one

C8H8O4 (168.0423)


   

2,3-dimethoxy-p-benzoquinone

2,3-dimethoxy-p-benzoquinone

C8H8O4 (168.0423)


   

2,3-dihydroxy-5-(hydroxymethyl)benzaldehyde

2,3-dihydroxy-5-(hydroxymethyl)benzaldehyde

C8H8O4 (168.0423)


   

(6s,7r,7ar)-6,7-dihydroxy-7,7a-dihydro-6h-1-benzofuran-2-one

(6s,7r,7ar)-6,7-dihydroxy-7,7a-dihydro-6h-1-benzofuran-2-one

C8H8O4 (168.0423)


   

(3r)-3-acetyl-6-methyl-3h-pyran-2,4-dione

(3r)-3-acetyl-6-methyl-3h-pyran-2,4-dione

C8H8O4 (168.0423)


   

(2r,3r,5s,6r)-4,9-dioxatricyclo[5.3.0.0³,⁵]deca-1(10),7-diene-2,6-diol

(2r,3r,5s,6r)-4,9-dioxatricyclo[5.3.0.0³,⁵]deca-1(10),7-diene-2,6-diol

C8H8O4 (168.0423)


   

6-acetyl-4-methoxypyran-2-one

6-acetyl-4-methoxypyran-2-one

C8H8O4 (168.0423)


   

methyl 2-(4-oxopyran-3-yl)acetate

methyl 2-(4-oxopyran-3-yl)acetate

C8H8O4 (168.0423)


   

6-acetyl-3-(hydroxymethyl)pyran-2-one

6-acetyl-3-(hydroxymethyl)pyran-2-one

C8H8O4 (168.0423)


   

1-(3,4,5-trimethoxyphenyl)-1'S,2'-ethanediol

NA

C8H8O4 (168.0423)


{"Ingredient_id": "HBIN001023","Ingredient_name": "1-(3,4,5-trimethoxyphenyl)-1'S,2'-ethanediol","Alias": "NA","Ingredient_formula": "C8H8O4","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42497","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-hydroxy-3-methoxybenzoic

NA

C8H8O4 (168.0423)


{"Ingredient_id": "HBIN010475","Ingredient_name": "4-hydroxy-3-methoxybenzoic","Alias": "NA","Ingredient_formula": "C8H8O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r,3s,4s)-5-fluoro-2,3,4-trihydroxypentanoic acid

(2r,3s,4s)-5-fluoro-2,3,4-trihydroxypentanoic acid

C5H9FO5 (168.0434)


   

4-methoxy-3-methyl-6-oxopyran-2-carbaldehyde

4-methoxy-3-methyl-6-oxopyran-2-carbaldehyde

C8H8O4 (168.0423)


   

4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one

4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one

C8H8O4 (168.0423)


   

4-ethyl-6-oxopyran-2-carboxylic acid

4-ethyl-6-oxopyran-2-carboxylic acid

C8H8O4 (168.0423)


   

3,4-dihydroxy-2-methylbenzoic acid

3,4-dihydroxy-2-methylbenzoic acid

C8H8O4 (168.0423)


   

1,3-dihydro-2-benzofuran-4,5,7-triol

1,3-dihydro-2-benzofuran-4,5,7-triol

C8H8O4 (168.0423)


   

5-methyl-2h-1,3-benzodioxole-4,7-diol

5-methyl-2h-1,3-benzodioxole-4,7-diol

C8H8O4 (168.0423)


   

2-[(hydroxyamino)(methyl)amino]cyclohexa-2,5-diene-1,4-dione

2-[(hydroxyamino)(methyl)amino]cyclohexa-2,5-diene-1,4-dione

C7H8N2O3 (168.0535)


   

4,9-dioxatricyclo[5.3.0.0³,⁵]deca-1(10),7-diene-2,6-diol

4,9-dioxatricyclo[5.3.0.0³,⁵]deca-1(10),7-diene-2,6-diol

C8H8O4 (168.0423)


   

2-hydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

2-hydroxy-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

C8H8O4 (168.0423)


   

2,3-dihydroxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione

2,3-dihydroxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione

C8H8O4 (168.0423)


   

(5e)-4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one

(5e)-4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one

C8H8O4 (168.0423)


   

3-hydroxy-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione

3-hydroxy-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione

C8H8O4 (168.0423)