Exact Mass: 154.017855
Exact Mass Matches: 154.017855
Found 500 metabolites which its exact mass value is equals to given mass value 154.017855,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gentisate
Gentisic acid, also known as gentisate or 2,5-dioxybenzoate, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Gentisic acid is also classified as a dihydroxybenzoic acid. It is a derivative of benzoic acid and a minor (1\\\\\%) product of the metabolic break down of aspirin, which is excreted by the kidneys. Gentisic acid is found in essentially all organisms ranging from bacteria to fungi to plants to animals. Gentisic acid has been associated with a number of useful effects on human health and exhibits anti-inflammatory, antigenotoxic, hepatoprotective, neuroprotective, antimicrobial, and especially antioxidant activities (PMID: 31825145). It is widely distributed in plants as a secondary plant product such as Gentiana spp., Citrus spp., Vitis vinifera, Pterocarpus santalinus, Helianthus tuberosus, Hibiscus rosa-sinensis, Olea europaea, and Sesamum indicum and in fruits such as avocados, batoko plum, kiwi fruits, apple, bitter melon, black berries, pears, and some mushrooms (PMID: 31825145). Gentisic acid is found in higher concentrations in a number of foods such as tarragons, common thymes, and common sages and in a lower concentration in grape wines, rosemaries, and sweet marjorams. Gentisic acid has also been shown to act as a pathogen-inducible signal for the activation of plant defenses in tomato plants and cucumbers (PMID: 16321412; https://doi.org/10.1094/MPMI.1999.12.3.227). Gentisic acid is a dihydroxybenzoic acid. It is a crystalline powder that forms monoclinic prism in water solution. Gentisic acid is an active metabolite of salicylic acid degradation. There is an increasing amount of evidence indicating that gentisic acid has a broad spectrum of biological activity, such as anti-inflammatory, antirheumatic and antioxidant properties. Gentisic acid is also a byproduct of tyrosine and benzoate metabolism. [HMDB]. Gentisic acid is found in many foods, some of which are common sage, common grape, nutmeg, and dill. 2,5-dihydroxybenzoic acid is a dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. It has a role as a MALDI matrix material, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a human metabolite, a fungal metabolite and a mouse metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,5-dihydroxybenzoate. 2,5-Dihydroxybenzoic acid is a natural product found in Persicaria mitis, Tilia tomentosa, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. 2,5-Dihydroxybenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=490-79-9 (retrieved 2024-07-01) (CAS RN: 490-79-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors. 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors.
Protocatechuic acid
Protocatechuic acid, also known as protocatechuate or 3,4-dihydroxybenzoate, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. The enzyme protocatechuate 3,4-dioxygenase uses 3,4-dihydroxybenzoate and O2 to produce 3-carboxy-cis,cis-muconate. Protocatechuic acid is a drug. In the analogous hardening of the cockroach ootheca, the phenolic substance concerned is protocatechuic acid. Protocatechuic acid is a mild, balsamic, and phenolic tasting compound. Outside of the human body, protocatechuic acid is found, on average, in the highest concentration in a few different foods, such as garden onions, cocoa powders, and star anises and in a lower concentration in lentils, liquors, and red raspberries. Protocatechuic acid has also been detected, but not quantified in several different foods, such as cloud ear fungus, american pokeweeds, common mushrooms, fruits, and feijoa. This could make protocatechuic acid a potential biomarker for the consumption of these foods. It is also found in Allium cepa (17,540 ppm). It is a major metabolite of antioxidant polyphenols found in green tea. Similarly, PCA was reported to increase proliferation and inhibit apoptosis of neural stem cells. In vitro testing documented antioxidant and anti-inflammatory activity of PCA, while liver protection in vivo was measured by chemical markers and histological assessment. 3,4-dihydroxybenzoic acid, also known as protocatechuic acid or 4-carboxy-1,2-dihydroxybenzene, belongs to hydroxybenzoic acid derivatives class of compounds. Those are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 3,4-dihydroxybenzoic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxybenzoic acid can be synthesized from benzoic acid. 3,4-dihydroxybenzoic acid is also a parent compound for other transformation products, including but not limited to, methyl 3,4-dihydroxybenzoate, ethyl 3,4-dihydroxybenzoate, and 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose. 3,4-dihydroxybenzoic acid is a mild, balsamic, and phenolic tasting compound and can be found in a number of food items such as white mustard, grape wine, abalone, and asian pear, which makes 3,4-dihydroxybenzoic acid a potential biomarker for the consumption of these food products. 3,4-dihydroxybenzoic acid can be found primarily in blood, feces, and urine, as well as in human fibroblasts and testes tissues. 3,4-dihydroxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. Protocatechuic acid (PCA) is a dihydroxybenzoic acid, a type of phenolic acid. It is a major metabolite of antioxidant polyphenols found in green tea. It has mixed effects on normal and cancer cells in in vitro and in vivo studies . 3,4-dihydroxybenzoic acid is a dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. It has a role as a human xenobiotic metabolite, a plant metabolite, an antineoplastic agent, an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor and an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor. It is a member of catechols and a dihydroxybenzoic acid. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,4-dihydroxybenzoate. 3,4-Dihydroxybenzoic acid is a natural product found in Visnea mocanera, Amomum subulatum, and other organisms with data available. Protocatechuic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Black Cohosh (part of); Vaccinium myrtillus Leaf (part of); Menyanthes trifoliata leaf (part of) ... View More ... A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. Protocatechuic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=99-50-3 (retrieved 2024-06-29) (CAS RN: 99-50-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect. Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect.
2-Pyrocatechuic acid
2-Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma (PMID 16351159), and is normally found with increased levels after consumption of many nutrients and drugs, i.e.: cranberry juice (PMID 14733499), aspirin ingestion. (PMID 3342084) It has been found associated with idiopathic oro-facial pain due to stress (oxidative stress might enhance the production of free radicals); it has been suggested that OH radicals are responsible for the production of many systemic and local tissue injury diseases which may initially manifest as pain syndrome, and 2-Pyrocatechuic acid is a biological marker for the detection and quantification of OH radicals, and patients had significantly increased circulating levels of 2-Pyrocatechuic acid after aspirin ingestion than control subjects. (PMID 7748148). D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents Occurs in Gentiana lutea (yellow gentian) Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion. Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
2,6-Dihydroxybenzoic acid
2,6-dihydroxybenzoic acid, also known as gamma-resorcylic acid or 6-hydroxysalicylic acid, is a member of the class of compounds known as salicylic acids. Salicylic acids are ortho-hydroxylated benzoic acids. 2,6-dihydroxybenzoic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2,6-dihydroxybenzoic acid can be found in beer and olive, which makes 2,6-dihydroxybenzoic acid a potential biomarker for the consumption of these food products. 2,6-dihydroxybenzoic acid can be found primarily in blood and urine. 2,6-Dihydroxybenzoic acid (γ-resorcylic acid) is a dihydroxybenzoic acid. It is a very strong acid due to its intramolecular hydrogen bonding . 2,6-dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism.
Diethylphosphate
Diethylphosphate is product of metabolism and of environmental degradation of Chlorpyrifos (CPF; a commonly used diethylphosphorothionate organophosphorus (OP) insecticide) and are routinely measured in urine as biomarkers of exposure. (PMID: 17590257). [HMDB] Diethylphosphate is product of metabolism and of environmental degradation of Chlorpyrifos (CPF; a commonly used diethylphosphorothionate organophosphorus (OP) insecticide) and are routinely measured in urine as biomarkers of exposure. (PMID: 17590257). KEIO_ID D141 Diethylphosphate (DEP) is product of metabolism and of environmental degradation of a commonly used insecticide Chlorpyrifos.
1,4-Dithiothreitol
Dithiothreitol (DTT) is the common name for a small-molecule redox reagent known as Clelands reagent. DTTs formula is C4H10O2S2 and the molecular structure of its reduced form is shown at the right; its oxidized form is a disulfide-bonded 6-membered ring (shown below). Its name derives from the four-carbon sugar, threose. DTT has an epimeric (sister) compound, dithioerythritol. A common use of DTT is as a reducing or "deprotecting" agent for thiolated DNA. The terminal sulfur atoms of thiolated DNA have a tendency to form dimers in solution, especially in the presence of oxygen. Dimerization greatly lowers the efficiency of subsequent coupling reactions such as DNA immobilization on gold in biosensors. Typically DTT is mixed with a DNA solution and allowed to react, and then is removed by filtration (for the solid catalyst) or by chromatography (for the liquid form). The DTT removal procedure is often called "desalting.". DTT is frequently used to reduce the disulfide bonds of proteins and, more generally, to prevent intramolecular and intermolecular disulfide bonds from forming between cysteine residues of proteins. However, even DTT cannot reduce buried (solvent-inaccessible) disulfide bonds, so reduction of disulfide bonds is sometimes carried out under denaturing conditions (e.g., at high temperatures, or in the presence of a strong denaturant such as 6 M guanidinium hydrochloride, 8 M urea, or 1\\% sodium dodecylsulfate). Conversely, the solvent exposure of different disulfide bonds can be assayed by their rate of reduction in the presence of DTT. DTT can also be used as an oxidizing agent. Its principal advantage is that effectively no mixed-disulfide species are populated, in contrast to other agents such as glutathione. In very rare cases, a DTT adduct may be formed, i.e., the two sulfur atoms of DTT may form disulfide bonds to different sulfur atoms; in such cases, DTT cannot cyclize since it has no remaining free thiols. Due to air oxidation, DTT is a relatively unstable compound whose useful life can be extended by refrigeration and handling in an inert atmosphere. Since protonated sulfurs have lowered nucleophilicities, DTT becomes less potent as the pH lowers. Tris(2-carboxyethyl)phosphine HCl (TCEP hydrochloride) is an alternative which is more stable and works even at low pH. Dithiothreitol (DTT) is the common name for a small-molecule redox reagent known as Clelands reagent. DTT has an epimeric compound, dithioerythritol. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Patulin
Patulin is found in pomes. Mycotoxin, found as a contaminant of foods, e.g. apple juice. Sometimes detd. in apple juice Patulin is a mycotoxin produced by a variety of molds, particularly Aspergillus and Penicillium. It is commonly found in rotting apples, and the amount of patulin in apple products is generally viewed as a measure of the quality of the apples used in production. It is not a particularly potent toxin, but a number of studies have shown that it is genotoxic, which has led to some theories that it may be a carcinogen, though animal studies have remained inconclusive. Patulin is also an antibiotic. Several countries have instituted patulin restrictions in apple products. The World Health Organization recommends a maximum concentration of 50 µg/L in apple juice Mycotoxin, found as a contaminant of foods, e.g. apple juice. Sometimes detd. in apple juice D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D009153 - Mutagens Patulin (Terinin) is a mycotoxin produced by fungi including the Aspergillus, Penicillium, and Byssochlamys species, is suspected to be clastogenic, mutagenic, teratogenic and cytotoxic. Patulin induces autophagy-dependent apoptosis through lysosomal-mitochondrial axis, and causes DNA damage[1][2][3][4].
Diethyl sulfate
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens
2-Amino-4-nitrophenol
CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2100; ORIGINAL_PRECURSOR_SCAN_NO 2099 CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2731; ORIGINAL_PRECURSOR_SCAN_NO 2730 CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2711; ORIGINAL_PRECURSOR_SCAN_NO 2710 CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2712; ORIGINAL_PRECURSOR_SCAN_NO 2711 CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2128; ORIGINAL_PRECURSOR_SCAN_NO 2127 CONFIDENCE standard compound; INTERNAL_ID 768; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2132; ORIGINAL_PRECURSOR_SCAN_NO 2131
2-AMINO-5-NITROPENOL
CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2669; ORIGINAL_PRECURSOR_SCAN_NO 2668 CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2722; ORIGINAL_PRECURSOR_SCAN_NO 2721 CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2755; ORIGINAL_PRECURSOR_SCAN_NO 2754 CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2714; ORIGINAL_PRECURSOR_SCAN_NO 2712 CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2648; ORIGINAL_PRECURSOR_SCAN_NO 2645 CONFIDENCE standard compound; INTERNAL_ID 1062; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2757; ORIGINAL_PRECURSOR_SCAN_NO 2753
4-Amino-2-nitrophenol
CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2711; ORIGINAL_PRECURSOR_SCAN_NO 2710 CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2722; ORIGINAL_PRECURSOR_SCAN_NO 2721 CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2705; ORIGINAL_PRECURSOR_SCAN_NO 2704 CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2731; ORIGINAL_PRECURSOR_SCAN_NO 2730 CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2741; ORIGINAL_PRECURSOR_SCAN_NO 2740 CONFIDENCE standard compound; INTERNAL_ID 769; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2712; ORIGINAL_PRECURSOR_SCAN_NO 2711
Dithioerythritol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents
3,5-Dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid (3,5-DHBA) is a primary metabolite of alkylresorcinols which has been hydrolyzed by liver enzymes during phase I metabolism after several cycles of beta-oxidation. 3,5-Dihydroxybenzoic acid is a potential urinary biomarker of whole grain intake (PMID: 15282102). Constituent of Arachis hypogaea (peanuts) and Cicer arietinum (chickpea). 3,5-Dihydroxybenzoic acid is found in many foods, some of which are peanut, pulses, nuts, and beer. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses.
2,4-Dihydroxybenzoic acid
2,4-Dihydroxybenzoic acid is found in alcoholic beverages. 2,4-Dihydroxybenzoic acid is found in avocado, beer, wine and coffee. 2,4-Dihydroxybenzoic acid is a food flavour ingredient and flavour modifie Found in avocado, beer, wine and coffee. Food flavour ingredient and flavour modifier 2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture. 2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture.
1-Phenyl-2,4-pentadiyn-1-one
1-Phenyl-2,4-pentadiyn-1-one is found in herbs and spices. 1-Phenyl-2,4-pentadiyn-1-one is isolated from Chrysanthemum coronarium (chop-suey greens). Isolated from Chrysanthemum coronarium (chop-suey greens). 1-Phenyl-2,4-pentadiyn-1-one is found in herbs and spices.
2,4,6-trihydroxybenzaldehyde
2,4,6-trihydroxybenzaldehyde is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1λ⁴-chromen-1-ylium. It is generated by unspecified-gutmicro enzyme via an anthocyanidin-c-ring-fission-pattern3 reaction. This anthocyanidin-c-ring-fission-pattern3 occurs in human gut microbiota. 2,4,6-Trihydroxybenzaldehyde is an orally active NF-?B inhibitor. 2,4,6-Trihydroxybenzaldehyde shows anti-tumor activity, anti-cancer cell proliferative activity and anti-obesity activity. 2,4,6-Trihydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-70-7 (retrieved 2024-09-18) (CAS RN: 487-70-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Methyl propyl trisulfide
Volatile flavouring component of onion oil, leeks and other Allium subspecies Also present in French fried potato and cocoa. Methyl propyl trisulfide is found in many foods, some of which are garden onion, potato, cocoa and cocoa products, and soft-necked garlic. Methyl propyl trisulfide is found in cocoa and cocoa products. Methyl propyl trisulfide is a volatile flavouring component of onion oil, leeks and other Allium species Also present in French fried potato and coco D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
2,4,6-Trithiaheptane
2,4,6-Trithiaheptane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(2-Thienyl)-1-butanone
1-(2-Thienyl)-1-butanone is a flavour enhancer for coffee. Flavour enhancer for coffee
Ethyl (methylthio)methyl disulfide
Ethyl (methylthio)methyl disulfide is found in fruits. Ethyl (methylthio)methyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl (methylthio)methyl disulfide is found in fruits.
Diethyl trisulfide
Cystine thermal degradation product. Aroma constituent of salted pork, cooked beef and durian fruit (Durio zibethinus). Diethyl trisulfide is found in animal foods and fruits. Diethyl trisulfide is found in animal foods. Cystine thermal degradation product. Aroma constituent of salted pork, cooked beef and durian fruit (Durio zibethinus).
1-(2-Thienyl)-1,2-propanedione
1-(2-Thienyl)-1,2-propanedione is a flavouring ingredient. 1-(2-Thienyl)-1,2-propanedione is a component of flavourants produced by reaction of H2S and glucose. Flavouring ingredient. Component of flavourants produced by reaction of H2S and glucose
1-(5-Methyl-2-thienyl)-1-propanone
1-(5-Methyl-2-thienyl)-1-propanone is a flavouring ingredient. Flavouring ingredient
1,1'-Thiobisethanethiol
1,1-Thiobisethanethiol is found in animal foods. 1,1-Thiobisethanethiol is a volatile constituent of cooked mutton. Volatile constituent of cooked mutton. 1,1-Thiobisethanethiol is found in animal foods.
3-Acetyl-2,5-dimethylthiophene
3-Acetyl-2,5-dimethylthiophene is a flavouring ingredient. Flavouring ingredient
3,4,5-Trihydroxybenzaldehyde
Gallaldehyde, also known as 345-trihydroxybenzaldehyde, belongs to pyrogallols and derivatives class of compounds. Those are compounds containing a 1,2,3-trihydroxybenzene moiety. Gallaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Gallaldehyde can be found in lentils, which makes gallaldehyde a potential biomarker for the consumption of this food product. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors Gallic aldehyde is a HSV-1 inhibitor isolated from Geum japonicum, with potent antiviral activity[1].
3'-Chloroacetophenone
D009676 - Noxae > D012304 - Riot Control Agents, Chemical > D013665 - Tear Gases D009676 - Noxae > D007509 - Irritants
Acipimox
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
3-(Hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
2-(2-Hydroxy-aethyliden)-5-oxo-2,5-dihydro-furan-3-carbaldehyd|2-(2-hydroxy-ethyliden)-5-oxo-2,5-dihydro-furan-3-carbaldehyde
5-Hydroxymethyl-pyrazin-2-carbonsaeure|5-hydroxymethyl-pyrazine-2-carboxylic acid
Gallaldehyde
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors Gallic aldehyde is a HSV-1 inhibitor isolated from Geum japonicum, with potent antiviral activity[1].
3,7-Dihydroxytropolone
A cyclic ketone that is tropolone in which the hydrogens at positions 3 and 7 are substituted by hydroxy groups. It is isolated from the soil bacterium Streptomyces tropolofaciens strain K611-97.
2,5-Dihydroxybenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00007.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00006.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00002.jpg 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors. 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors.
2,3-Dihydroxybenzoic acid
A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion. Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
protocatechuic acid
Protocatechuic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Protocatechuic acid 4-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Protocatechuic acid 4-glucoside can be found in a number of food items such as rosemary, jostaberry, rubus (blackberry, raspberry), and highbush blueberry, which makes protocatechuic acid 4-glucoside a potential biomarker for the consumption of these food products. Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect. Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect.
gentisic acid
2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors. 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors.
2-Pyrocatechuic acid
Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion. Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
patulin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE standard compound; INTERNAL_ID 5971 D009676 - Noxae > D009153 - Mutagens CONFIDENCE Reference Standard (Level 1) Patulin (Terinin) is a mycotoxin produced by fungi including the Aspergillus, Penicillium, and Byssochlamys species, is suspected to be clastogenic, mutagenic, teratogenic and cytotoxic. Patulin induces autophagy-dependent apoptosis through lysosomal-mitochondrial axis, and causes DNA damage[1][2][3][4].
3,5-DIHYDROXYBENZOIC ACID
A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses.
2,6-DIHYDROXYBENZOIC ACID
A dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism.
Acipimox
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
benzoate
2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses.
2,4-DHBA
2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture. 2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture.
FEMA 3308
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
2-Chloroacetophenone
D009676 - Noxae > D012304 - Riot Control Agents, Chemical > D013665 - Tear Gases D009676 - Noxae > D007509 - Irritants
6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
5-Pyrimidinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(9CI)
4,7-Epoxy-1,3-benzodioxol-2-one,3a,4,7,7a-tetrahydro-
6-Chloropurine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
2-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ACETONITRILE
5-amino-2-oxo-1,2-dihydropyridine-3-carboxylic acid
2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
3-Pyridinecarboxylicacid, 4-amino-1,6-dihydro-6-oxo-
5-(trifluoromethyl)-1,3,4-oxadiazol-2-ol(SALTDATA: FREE)
1H-Imidazole-4-carboxylicacid,2,5-dihydro-1-methyl-5-methylene-2-oxo-(9CI)
2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
1H-Pyrazole-5-carboxylic acid, 3-formyl-1-methyl- (9CI)
4-Pyridazinecarboxylicacid,2,3-dihydro-2-methyl-3-oxo-(9CI)
5-Pyrimidinecarboxaldehyde,1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-
4,5-Dihydro-6-methyl-5-oxo-2-pyrazinecarboxylic acid
2-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Thiosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-Pyrimidinecarboxylicacid, 1,6-dihydro-2-methyl-6-oxo-
1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
DL-Dithiothreitol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Isopatulin
A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species.
3-Sulfopropanoic acid
A carboxyalkanesulfonic acid that is the C-sulfo derivative of propanoic acid.
Phyllostine
An epoxide resulting from epoxidation of the 5-6 double bond of 2-(hydroxymethyl)-1,4-benzoquinone (the 5S,6R enantiomer). D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Acetic acid, 2-(4-methyl-5-oxo-2(5H)-furanylidene)-
2-(Dichloromethyl)tetrahydrofuran
A member of the class of oxolanes that is oxolane (tetrahydrofuran) substituted by a dichloromethyl group at position 2.
99-50-3
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect. Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect.
GENOP
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors. 2,5-Dihydroxybenzoic acid is a derivative of benzoic and a powerful inhibitor of fibroblast growth factors.
89-86-1
2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture. 2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture.
99-10-5
3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses. 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses.
17619-36-2
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
303-07-1
2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism. 2,6-Dihydroxybenzoic acid is a secondary metabolite of salicylic acid which has been hydrolyzed by liver enzymes during phase I metabolism.
64-67-5
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens
FR-1294
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion. Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
D-3-sulfolactaldehyde
A 3-sulfolactaldehyde in which the stereocentre at position 3 has R-configuration.
2-Hydroxy-4-nitrophenolate
A phenolate anion that is the conjugate base of 4-nitrocatechol arising from selective deprotonation of the hydroxy group at the position para to the nitro group; the major species at pH 7.3.
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide
C6H6N2O3-2 (154.03784059999998)
(1S,6R)-3-methyl-7-oxabicyclo[4.1.0]heptane-2,4,5-trione
Diethyl phosphate
A dialkyl phosphate having ethyl as the alkyl group. Diethylphosphate (DEP) is product of metabolism and of environmental degradation of a commonly used insecticide Chlorpyrifos.
Mycoin
A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D009153 - Mutagens Patulin (Terinin) is a mycotoxin produced by fungi including the Aspergillus, Penicillium, and Byssochlamys species, is suspected to be clastogenic, mutagenic, teratogenic and cytotoxic. Patulin induces autophagy-dependent apoptosis through lysosomal-mitochondrial axis, and causes DNA damage[1][2][3][4].
2,4-dihydroxybenzoic acid
2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture. 2,4-Dihydroxybenzoic acid is a degradation product of cyaniding glycoside from tart cheeries in cell culture.
2,4,6-Trihydroxybenzaldehyde
2,4,6-Trihydroxybenzaldehyde is an orally active NF-?B inhibitor. 2,4,6-Trihydroxybenzaldehyde shows anti-tumor activity, anti-cancer cell proliferative activity and anti-obesity activity[1][2][3].
N-methylethanolaminium phosphate(1-)
Conjugate base of N-methylethanolamine phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3.
Diethyl sulfate
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens
Methyl propyl trisulfide
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide
Conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid.
(1r,6s)-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
(2e)-2-(2-hydroxyethylidene)-5-oxofuran-3-carbaldehyde
3,4-dihydroxybenzoic
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