NCBI Taxonomy: 474943

Adenosine

C10H13N5O4 (267.0967)

Adenosine is a ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has a role as an anti-arrhythmia drug, a vasodilator agent, an analgesic, a human metabolite and a fundamental metabolite. It is a purines D-ribonucleoside and a member of adenosines. It is functionally related to an adenine. The structure of adenosine was first described in 1931, though the vasodilating effects were not described in literature until the 1940s. Adenosine is indicated as an adjunct to thallium-201 in myocardial perfusion scintigraphy, though it is rarely used in this indication, having largely been replaced by [dipyridamole] and [regadenson]. Adenosine is also indicated in the treatment of supraventricular tachycardia. Adenosine was granted FDA approval on 30 October 1989. Adenosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Adenosine is an Adenosine Receptor Agonist. The mechanism of action of adenosine is as an Adenosine Receptor Agonist. Adenosine is a natural product found in Smilax bracteata, Mikania laevigata, and other organisms with data available. Adenosine is a ribonucleoside comprised of adenine bound to ribose, with vasodilatory, antiarrhythmic and analgesic activities. Phosphorylated forms of adenosine play roles in cellular energy transfer, signal transduction and the synthesis of RNA. Adenosine is a nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. For instance, adenosine plays an important role in energy transfer - as adenosine triphosphate (ATP) and adenosine diphosphate (ADP). It also plays a role in signal transduction as cyclic adenosine monophosphate, cAMP. Adenosine itself is both a neurotransmitter and potent vasodilator. When administered intravenously, adenosine causes transient heart block in the AV node. Because of the effects of adenosine on AV node-dependent supraventricular tachycardia, adenosine is considered a class V antiarrhythmic agent. Adenosine is a metabolite found in or produced by Saccharomyces cerevisiae. A nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. Adenosine itself is a neurotransmitter. See also: Adenosine; Niacinamide (component of); Adenosine; Glycerin (component of); Adenosine; ginsenosides (component of) ... View More ... Adenosine is a nucleoside that is composed of adenine and D-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. For instance, adenosine plays an important role in energy transfer as adenosine triphosphate (ATP) and adenosine diphosphate (ADP). It also plays a role in signal transduction as cyclic adenosine monophosphate (cAMP). Adenosine itself is both a neurotransmitter and potent vasodilator. When administered intravenously adenosine causes transient heart block in the AV node. Due to the effects of adenosine on AV node-dependent supraventricular tachycardia, adenosine is considered a class V antiarrhythmic agent. Overdoses of adenosine intake (as a drug) can lead to several side effects including chest pain, feeling faint, shortness of breath, and tingling of the senses. Serious side effects include a worsening dysrhythmia and low blood pressure. When present in sufficiently high levels, adenosine can act as an immunotoxin and a metabotoxin. An immunotoxin disrupts, limits the function, or destroys immune cells. A metabotoxin is an endogenous metabolite that causes adverse health effects at chronically high levels. Chronically high levels of adenosine are associated with adenosine deaminase deficiency. Adenosine is a precursor to deoxyadenosine, which is a precursor to dATP. A buildup of dATP in cells inhibits ribonucleotide reductase and prevents DNA synthesis, so cells are unable to divide. Since developing T cells and B cells are some of the most mitotically active cells, they are unable to divide and propagate to respond to immune challenges. High levels of deoxyadenosine also lead to an increase in S-adenosylhomocysteine, which is toxic to immature lymphocytes. Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a beta-N9-glycosidic bond. [Wikipedia]. Adenosine is found in many foods, some of which are borage, japanese persimmon, nuts, and barley. COVID info from PDB, Protein Data Bank, COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. Adenosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=58-61-7 (retrieved 2024-06-29) (CAS RN: 58-61-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2].

Cordycepin

C10H13N5O3 (251.1018)

Cordycepin is a 3-deoxyribonucleoside and a member of adenosines. It has a role as an antimetabolite and a nucleoside antibiotic. Cordycepin has been used in trials studying the treatment of Leukemia. Cordycepin is a natural product found in Aspergillus nidulans, Streptomyces sparsogenes, and other organisms with data available. Cordycepin is a purine nucleoside antimetabolite and antibiotic isolated from the fungus Cordyceps militaris with potential antineoplastic, antioxidant, and anti-inflammatory activities. Cordycepin is an inhibitor of polyadenylation, activates AMP-activated protein kinase (AMPK) and reduces mammalian target of rapamycin (mTOR) signaling, which may result in both the induction of tumor cell apoptosis and a decrease in tumor cell proliferation. mTOR, a serine/threonine kinase belonging to the phosphatidylinositol 3-kinase (PI3K)-related kinase (PIKK) family, plays an important role in the PI3K/AKT/mTOR signaling pathway that regulates cell growth and proliferation, and its expression or activity is frequently dysregulated in human cancers. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2]. Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2]. Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2].

DL-Mannitol

C6H14O6 (182.079)

D-mannitol appears as odorless white crystalline powder or free-flowing granules. Sweet taste. (NTP, 1992) D-mannitol is the D-enantiomer of mannitol. It has a role as an osmotic diuretic, a sweetening agent, an antiglaucoma drug, a metabolite, an allergen, a hapten, a food bulking agent, a food anticaking agent, a food humectant, a food stabiliser, a food thickening agent, an Escherichia coli metabolite and a member of compatible osmolytes. Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. Mannitol may also be used for the promotion of diuresis before irreversible renal failure becomes established; the promotion of urinary excretion of toxic substances; as an Antiglaucoma agent; and as a renal function diagnostic aid. On October 30, 2020, mannitol was approved by the FDA as add-on maintenance therapy for the control of pulmonary symptoms associated with cystic fibrosis in adult patients and is currently marketed for this indication under the name BRONCHITOL® by Chiesi USA Inc. Mannitol is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Mannitol is an Osmotic Diuretic. The mechanism of action of mannitol is as an Osmotic Activity. The physiologic effect of mannitol is by means of Increased Diuresis. Mannitol is a natural product found in Pavetta indica, Scoparia dulcis, and other organisms with data available. Mannitol is a naturally occurring alcohol found in fruits and vegetables and used as an osmotic diuretic. Mannitol is freely filtered by the glomerulus and poorly reabsorbed from the renal tubule, thereby causing an increase in osmolarity of the glomerular filtrate. An increase in osmolarity limits tubular reabsorption of water and inhibits the renal tubular reabsorption of sodium, chloride, and other solutes, thereby promoting diuresis. In addition, mannitol elevates blood plasma osmolarity, resulting in enhanced flow of water from tissues into interstitial fluid and plasma. D-mannitol is a metabolite found in or produced by Saccharomyces cerevisiae. A diuretic and renal diagnostic aid related to sorbitol. It has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity. See also: Mannitol; sorbitol (component of); Mannitol; menthol (component of). Mannitol, or hexan-1,2,3,4,5,6-hexol (C6H8(OH)6), is an alcohol and a sugar (sugar alcohol), or a polyol, it is a stereoisomer of sorbitol and is similar to the C5 xylitol. The structure of mannitol is made of a straight chain of six carbon atoms, each of which is substituted with a hydroxyl group. Mannitol is one of the most abundant energy and carbon storage molecules in nature, it is produced by a wide range of organisms such as bacteria, fungi and plants (PMID: 19578847). In medicine, mannitol is used as a diuretic and renal diagnostic aid. Mannitol has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity. Mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this, it is not uncommon to add a weak base, such as sodium bicarbonate, to the solution to adjust its pH. Mannitol is a non-permeating molecule i.e., it cannot cross biological membranes. Mannitol is an osmotic diuretic agent and a weak renal vasodilator. Mannitol is found to be associated with cytochrome c oxidase deficiency and ribose-5-phosphate isomerase deficiency, which are inborn errors of metabolism. Mannitol is also a microbial metabolite found in Aspergillus, Candida, Clostridium, Gluconobacter, Lactobacillus, Lactococcus, Leuconostoc, Pseudomonas, Rhodobacteraceae, Saccharomyces, Streptococcus, Torulaspora and Zymomonas (PMID: 15240312; PMID: 29480337). Mannitol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=85085-15-0 (retrieved 2024-07-01) (CAS RN: 69-65-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity.

L-Tryptophan betaine

C14H18N2O2 (246.1368)

Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. It has a role as a plant metabolite, a xenobiotic and a fungal metabolite. It is an amino-acid betaine, a L-tryptophan derivative and an indole alkaloid. Hypaphorine is a natural product found in Erythrina suberosa, Erythrina subumbrans, and other organisms with data available. Lenticin or hypaphorine is a compound found in lentil extracts. It can also be detected in blood after an individual has consumed lentils and may therefore serve as a food biomarker. Lenticin is an indole alkaloid that is essentially an N-methylated form of tryptophan. It is known to be a sleep-inducing compound (PMID: 18571406). In plants it is an agonist of the plant hormone indole acetic acid. An amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. (+)-Hypaphorine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-58-1 (retrieved 2024-07-01) (CAS RN: 487-58-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Hypaphorine is an indole alkaloid isolated from Caragana korshinskii, and with neurological and glucose-lowering effects in rodents[1]. Hypaphorine is an indole alkaloid isolated from Caragana korshinskii, and with neurological and glucose-lowering effects in rodents[1].

Palmitic acid

C16H32O2 (256.2402)

Palmitic acid, also known as palmitate or hexadecanoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, palmitic acid is considered to be a fatty acid lipid molecule. Palmitic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Palmitic acid can be found in a number of food items such as sacred lotus, spinach, shallot, and corn salad, which makes palmitic acid a potential biomarker for the consumption of these food products. Palmitic acid can be found primarily in most biofluids, including feces, sweat, cerebrospinal fluid (CSF), and urine, as well as throughout most human tissues. Palmitic acid exists in all living species, ranging from bacteria to humans. In humans, palmitic acid is involved in several metabolic pathways, some of which include alendronate action pathway, rosuvastatin action pathway, simvastatin action pathway, and cerivastatin action pathway. Palmitic acid is also involved in several metabolic disorders, some of which include hypercholesterolemia, familial lipoprotein lipase deficiency, ethylmalonic encephalopathy, and carnitine palmitoyl transferase deficiency (I). Moreover, palmitic acid is found to be associated with schizophrenia. Palmitic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Palmitic acid, or hexadecanoic acid in IUPAC nomenclature, is the most common saturated fatty acid found in animals, plants and microorganisms. Its chemical formula is CH3(CH2)14COOH, and its C:D is 16:0. As its name indicates, it is a major component of the oil from the fruit of oil palms (palm oil). Palmitic acid can also be found in meats, cheeses, butter, and dairy products. Palmitate is the salts and esters of palmitic acid. The palmitate anion is the observed form of palmitic acid at physiologic pH (7.4) . Palmitic acid is the first fatty acid produced during lipogenesis (fatty acid synthesis) and from which longer fatty acids can be produced. Palmitate negatively feeds back on acetyl-CoA carboxylase (ACC) which is responsible for converting acetyl-ACP to malonyl-ACP on the growing acyl chain, thus preventing further palmitate generation (DrugBank). Palmitic acid, or hexadecanoic acid, is one of the most common saturated fatty acids found in animals, plants, and microorganisms. As its name indicates, it is a major component of the oil from the fruit of oil palms (palm oil). Excess carbohydrates in the body are converted to palmitic acid. Palmitic acid is the first fatty acid produced during fatty acid synthesis and is the precursor to longer fatty acids. As a consequence, palmitic acid is a major body component of animals. In humans, one analysis found it to make up 21–30\\\% (molar) of human depot fat (PMID: 13756126), and it is a major, but highly variable, lipid component of human breast milk (PMID: 352132). Palmitic acid is used to produce soaps, cosmetics, and industrial mould release agents. These applications use sodium palmitate, which is commonly obtained by saponification of palm oil. To this end, palm oil, rendered from palm tree (species Elaeis guineensis), is treated with sodium hydroxide (in the form of caustic soda or lye), which causes hydrolysis of the ester groups, yielding glycerol and sodium palmitate. Aluminium salts of palmitic acid and naphthenic acid were combined during World War II to produce napalm. The word "napalm" is derived from the words naphthenic acid and palmitic acid (Wikipedia). Palmitic acid is also used in the determination of water hardness and is a surfactant of Levovist, an intravenous ultrasonic contrast agent. Hexadecanoic acid is a straight-chain, sixteen-carbon, saturated long-chain fatty acid. It has a role as an EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a hexadecanoate. A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. Palmitic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Palmitic Acid is a saturated long-chain fatty acid with a 16-carbon backbone. Palmitic acid is found naturally in palm oil and palm kernel oil, as well as in butter, cheese, milk and meat. Palmitic acid, or hexadecanoic acid is one of the most common saturated fatty acids found in animals and plants, a saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. It occurs in the form of esters (glycerides) in oils and fats of vegetable and animal origin and is usually obtained from palm oil, which is widely distributed in plants. Palmitic acid is used in determination of water hardness and is an active ingredient of *Levovist*TM, used in echo enhancement in sonographic Doppler B-mode imaging and as an ultrasound contrast medium. A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. A straight-chain, sixteen-carbon, saturated long-chain fatty acid. Palmitic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=57-10-3 (retrieved 2024-07-01) (CAS RN: 57-10-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Ergosterol

C28H44O (396.3392)

Ergosterol is a phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a fungal metabolite and a Saccharomyces cerevisiae metabolite. It is a 3beta-sterol, an ergostanoid, a 3beta-hydroxy-Delta(5)-steroid and a member of phytosterols. A steroid of interest both because its biosynthesis in FUNGI is a target of ANTIFUNGAL AGENTS, notably AZOLES, and because when it is present in SKIN of animals, ULTRAVIOLET RAYS break a bond to result in ERGOCALCIFEROL. Ergosterol is a natural product found in Gladiolus italicus, Ramaria formosa, and other organisms with data available. ergosterol is a metabolite found in or produced by Saccharomyces cerevisiae. A steroid occurring in FUNGI. Irradiation with ULTRAVIOLET RAYS results in formation of ERGOCALCIFEROL (vitamin D2). See also: Reishi (part of). Ergosterol, also known as provitamin D2, belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, ergosterol is considered to be a sterol lipid molecule. Ergosterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Ergosterol is the biological precursor to vitamin D2. It is turned into viosterol by ultraviolet light, and is then converted into ergocalciferol, which is a form of vitamin D. Ergosterol is a component of fungal cell membranes, serving the same function that cholesterol serves in animal cells. Ergosterol is not found in mammalian cell membranes. A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. Ergosterol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=57-87-4 (retrieved 2024-07-12) (CAS RN: 57-87-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ergosterol is the primary sterol found in fungi, with antioxidative, anti-proliferative, and anti-inflammatory effects. Ergosterol is the primary sterol found in fungi, with antioxidative, anti-proliferative, and anti-inflammatory effects.

beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose

C18H32O16 (504.169)

beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose, also known as b-D-galactopyranosyl-(1->4)-b-D-galactopyranosyl-(1->4)-D-galactose belongs to the class of organic compounds known as oligosaccharides or glycans. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose has been detected, but not quantified, in root vegetables. Beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose is an oligosaccharide. Maltotriose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Maltotriose is a natural product found in Lycium barbarum, Polygonum aviculare, and other organisms with data available. Maltotriose is a metabolite found in or produced by Saccharomyces cerevisiae. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2]. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2].

Stearic acid

C18H36O2 (284.2715)

Stearic acid, also known as stearate or N-octadecanoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, stearic acid is considered to be a fatty acid lipid molecule. Stearic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Stearic acid can be synthesized from octadecane. Stearic acid is also a parent compound for other transformation products, including but not limited to, 3-oxooctadecanoic acid, (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid, and 16-methyloctadecanoic acid. Stearic acid can be found in a number of food items such as green bell pepper, common oregano, ucuhuba, and babassu palm, which makes stearic acid a potential biomarker for the consumption of these food products. Stearic acid can be found primarily in most biofluids, including urine, feces, cerebrospinal fluid (CSF), and sweat, as well as throughout most human tissues. Stearic acid exists in all living species, ranging from bacteria to humans. In humans, stearic acid is involved in the plasmalogen synthesis. Stearic acid is also involved in mitochondrial beta-oxidation of long chain saturated fatty acids, which is a metabolic disorder. Moreover, stearic acid is found to be associated with schizophrenia. Stearic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Stearic acid ( STEER-ik, stee-ARR-ik) is a saturated fatty acid with an 18-carbon chain and has the IUPAC name octadecanoic acid. It is a waxy solid and its chemical formula is C17H35CO2H. Its name comes from the Greek word στέαρ "stéar", which means tallow. The salts and esters of stearic acid are called stearates. As its ester, stearic acid is one of the most common saturated fatty acids found in nature following palmitic acid. The triglyceride derived from three molecules of stearic acid is called stearin . Stearic acid, also known as octadecanoic acid or C18:0, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Stearic acid (its ester is called stearate) is a saturated fatty acid that has 18 carbons and is therefore a very hydrophobic molecule that is practically insoluble in water. It exists as a waxy solid. In terms of its biosynthesis, stearic acid is produced from carbohydrates via the fatty acid synthesis machinery wherein acetyl-CoA contributes two-carbon building blocks, up to the 16-carbon palmitate, via the enzyme complex fatty acid synthase (FA synthase), at which point a fatty acid elongase is needed to further lengthen it. After synthesis, there are a variety of reactions it may undergo, including desaturation to oleate via stearoyl-CoA desaturase (PMID: 16477801). Stearic acid is found in all living organisms ranging from bacteria to plants to animals. It is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. For example, it is a component of cocoa butter and shea butter. It is used as a food additive, in cleaning and personal care products, and in lubricants. Its name comes from the Greek word stear, which means ‚Äòtallow‚Äô or ‚Äòhard fat‚Äô. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

Maltotriose

C18H32O16 (504.169)

Maltotriose is a trisaccharide (three-part sugar) consisting of three glucose molecules linked with α-1,4 glycosidic bonds. It is most commonly produced by the digestive enzyme alpha-amylase (a common enzyme in human saliva) on amylose in starch. The creation of both maltotriose and maltose during this process is due to the random manner in which alpha amylase hydrolyses α-1,4 glycosidic bonds. It is the shortest chain oligosaccharide that can be classified as maltodextrin. Maltotriose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Maltotriose is a common oligosaccharide metabolite found in human urine after maltose ingestion or infusion (PMID:6645121). Maltotriose is increased in glycogen storage disease II (OMIM: 232300) due to a mutation of the enzyme alpha-1,4-glucosidase (EC 3.2.1.20) (PMID:4286143). Constituent of corn syrup. Amylolysis production from starch. Maltooligosaccharide mixtures are important food additives (sweeteners, gelling agents and viscosity modifiers) Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2]. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2].

Oleic acid

C18H34O2 (282.2559)

Oleic acid (or 9Z)-Octadecenoic acid) is an unsaturated C-18 or an omega-9 fatty acid that is the most widely distributed and abundant fatty acid in nature. It occurs naturally in various animal and vegetable fats and oils. It is an odorless, colorless oil, although commercial samples may be yellowish. The name derives from the Latin word oleum, which means oil. Oleic acid is the most abundant fatty acid in human adipose tissue, and the second most abundant in human tissues overall, following palmitic acid. Oleic acid is a component of the normal human diet, being a part of animal fats and vegetable oils. Triglycerides of oleic acid represent the majority of olive oil (about 70\\\\%). Oleic acid triglycerides also make up 59–75\\\\% of pecan oil, 61\\\\% of canola oil, 36–67\\\\% of peanut oil, 60\\\\% of macadamia oil, 20–80\\\\% of sunflower oil, 15–20\\\\% of grape seed oil, sea buckthorn oil, 40\\\\% of sesame oil, and 14\\\\% of poppyseed oil. High oleic variants of plant sources such as sunflower (~80\\\\%) and canola oil (70\\\\%) also have been developed. consumption has been associated with decreased low-density lipoprotein (LDL) cholesterol, and possibly with increased high-density lipoprotein (HDL) cholesterol, however, the ability of oleic acid to raise HDL is still debated. Oleic acid may be responsible for the hypotensive (blood pressure reducing) effects of olive oil that is considered a health benefit. Oleic acid is used in manufacturing of surfactants, soaps, plasticizers. It is also used as an emulsifying agent in foods and pharmaceuticals. Oleic acid is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. Major constituent of plant oils e.g. olive oil (ca. 80\\\\%), almond oil (ca. 80\\\\%) and many others, mainly as glyceride. Constituent of tall oiland is also present in apple, melon, raspberry oil, tomato, banana, roasted peanuts, black tea, rice bran, cardamon, plum brandy, peated malt, dairy products and various animal fats. Component of citrus fruit coatings. Emulsifying agent in foods CONFIDENCE standard compound; INTERNAL_ID 290 COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].

Linoleic acid

C18H32O2 (280.2402)

Linoleic acid is a doubly unsaturated fatty acid, also known as an omega-6 fatty acid, occurring widely in plant glycosides. In this particular polyunsaturated fatty acid (PUFA), the first double bond is located between the sixth and seventh carbon atom from the methyl end of the fatty acid (n-6). Linoleic acid is an essential fatty acid in human nutrition because it cannot be synthesized by humans. It is used in the biosynthesis of prostaglandins (via arachidonic acid) and cell membranes (From Stedman, 26th ed). Linoleic acid is found to be associated with isovaleric acidemia, which is an inborn error of metabolism. Linoleic acid (LA) is an organic compound with the formula HOOC(CH2)7CH=CHCH2CH=CH(CH2)4CH3. Both alkene groups (−CH=CH−) are cis. It is a fatty acid sometimes denoted 18:2 (n-6) or 18:2 cis-9,12. A linoleate is a salt or ester of this acid.[5] Linoleic acid is a polyunsaturated, omega-6 fatty acid. It is a colorless liquid that is virtually insoluble in water but soluble in many organic solvents.[2] It typically occurs in nature as a triglyceride (ester of glycerin) rather than as a free fatty acid.[6] It is one of two essential fatty acids for humans, who must obtain it through their diet,[7] and the most essential, because the body uses it as a base to make the others. The word "linoleic" derives from Latin linum 'flax', and oleum 'oil', reflecting the fact that it was first isolated from linseed oil.

3,9,15-Tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C45H57N3O9 (783.4095)

[Raw Data] CBA19_Beauvericin_pos_20eV_1-1_01_1374.txt [Raw Data] CBA19_Beauvericin_pos_50eV_1-1_01_1485.txt [Raw Data] CBA19_Beauvericin_pos_10eV_1-1_01_1352.txt [Raw Data] CBA19_Beauvericin_pos_40eV_1-1_01_1376.txt [Raw Data] CBA19_Beauvericin_pos_30eV_1-1_01_1483.txt Beauvericin is a Fusarium mycotoxin. Beauvericin inhibits acyl-CoA: cholesterol acyltransferase (ACAT) activity with an IC50 of 3 μM in an enzyme assay using rat liver microsomes[1]. Beauvericin is a Fusarium mycotoxin. Beauvericin inhibits acyl-CoA: cholesterol acyltransferase (ACAT) activity with an IC50 of 3 μM in an enzyme assay using rat liver microsomes[1].

Diacetoxyscirpenol

C19H26O7 (366.1678)

Diacetoxyscirpenol is a constituent of Fusarium species Mycotoxin D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Constituent of Fusarium subspecies Mycotoxin C784 - Protein Synthesis Inhibitor D000970 - Antineoplastic Agents

Myriocin

C21H39NO6 (401.2777)

An amino acid-based antibiotic derived from certain thermophilic fungi; acts as a potent inhibitor of serine palmitoyltransferase, the first step in sphingosine biosynthesis. Myriocin also possesses immunosuppressant activity. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents [Raw Data] CBA29_Myriocin_pos_20eV_1-3_01_1557.txt [Raw Data] CBA29_Myriocin_neg_40eV_1-3_01_1590.txt [Raw Data] CBA29_Myriocin_pos_10eV_1-3_01_1546.txt [Raw Data] CBA29_Myriocin_neg_30eV_1-3_01_1589.txt [Raw Data] CBA29_Myriocin_pos_40eV_1-3_01_1559.txt [Raw Data] CBA29_Myriocin_pos_30eV_1-3_01_1558.txt [Raw Data] CBA29_Myriocin_pos_50eV_1-3_01_1560.txt [Raw Data] CBA29_Myriocin_neg_10eV_1-3_01_1578.txt [Raw Data] CBA29_Myriocin_neg_20eV_1-3_01_1588.txt Myriocin (Thermozymocidin), a fungal metabolite could be isolated from Myriococcum albomyces, Isaria sinclairi and Mycelia sterilia, is a potent inhibitor of serine-palmitoyl-transferase (SPT) and a key enzyme in de novo synthesis of sphingolipids. Myriocin suppresses replication of both the subgenomic HCV-1b replicon and the JFH-1 strain of genotype 2a infectious HCV, with an IC50 of 3.5 μg/mL for inhibiting HCV infection[1][2][3].

Patulin

C7H6O4 (154.0266)

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].

Cobamamide

C72H100CoN18O17P (1578.6583)

A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5-deoxyadenos-5-yl moiety. It is one of the two metabolically active form of vitamin B12. B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BA - Vitamin b12 (cyanocobalamin and analogues) Adenosylcobalamin (Coenzyme B12;Cobamamide;AdoCbl) is an active form of Vitamin B12 which is a cofactor for methylmalonyl CoA mutase[1] Adenosylcobalamin (Coenzyme B12;Cobamamide;AdoCbl) is an active form of Vitamin B12 which is a cofactor for methylmalonyl CoA mutase[1]

Enniatin B

C33H57N3O9 (639.4095)

An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE Reference Standard (Level 1)

Terpinolene

C10H16 (136.1252)

Terpinolene (TPO), also known as alpha-terpinolene or isoterpinene, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, terpinolene is considered to be an isoprenoid lipid molecule. Terpinolene is a very hydrophobic monoterpenoid, practically insoluble in water, and relatively neutral. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes in plants is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in the plastids (PMID:7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Terpinolene is one of the constituents of turpentine and an isomer of terpinene. It appears colourless to pale yellow liquid. Alpha-terpinolene has been identified as an abundant monoterpene in the essential oil of Cannabis sativa plants (PMID:6991645 ). There are more than 140 known terpenes in cannabis and the combination of these terepenoids produces the skunky, fruity odor characteristic of C. savita. Although common in cannabis cultivars, terpinolene is typically found in relatively low amounts. On the other hand, the concentration of terpinolene can be has high as 30\\% of the essential oil. It is thought that terpinolene offers a mildly sedative effect and can reduce anxiety (PMID:28826544 ). In particular, terpinolene is a central nervous system depressant that has been shown to induce drowsiness (PMID:23339024 ). Terpinolene has been demonstrated to prevent LDL oxidation and is of potential interest in the treatment of atherogenesis and coronary artery disease (PMID:28826544 ). Terpinolene exhibits antifungal and larvicidal properties (PMID:28826544 ). Terpinolene is also an effective anti-microbial agent, particularly against E coli and Staphylococcus bacteria (PMID:16402540 ). Terpinolene is also employed as a fragrence ingredient in lotions, insect repellents (similar to other terpenes), perfumes, and soaps. Terpinolene is also a constituent of many other essential oils e. g. Citrus, Mentha, Juniperus, Myristica species. Parsnip oil (Pastinaca sativa) in particular, is a major source (40-70\\%). Terpinolene is a sweet, citrus, and fresh tasting compound. It produces a floral, woody or herbal aroma reminiscent of pine needles. In addition to being found in various plant essential oils, terpinolene is found in a few different foods and spices, such as allspice, apples, sage, rosemary, parsnips, nutmegs, and wild carrots and in a lower concentration in sweet bay, star anises, turmerics, apricots, cumins, evergreen blackberries, red bell peppers, and caraway. Constituent of many essential oils e.g. Citrus, Mentha, Juniperus, Myristica subspecies Parsnip oil (Pastinaca sativa) is a major source (40-70\\%). Flavouring ingredient. Terpinolene is found in many foods, some of which are coriander, ceylon cinnamon, pine nut, and caraway.

Militarinone A

C26H37NO6 (459.2621)

A pyridine alkaloid that is 1,4-dihydroxypyridin-2(1H)-one substituted by a cis-1,4-dihydroxycyclohexyl group at position 5 and a (2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at position 3. It is isolated from the mycelium of the entomogenous fungus, Paecilomyces militaris and has been found to induce pronounced neurite sprouting.

Enniatin D

C34H59N3O9 (653.4251)

An enniatin obtained from formal cyclocondensation of one N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-leucine and two N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.

Tryprostatin A

C22H27N3O3 (381.2052)

A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively.

Sorbitol

C6H14O6 (182.079)

Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications. Ascorbic acid fermentation; in solution form for moisture-conditioning of cosmetic creams and lotions, toothpaste, tobacco, gelatin; bodying agent for paper, textiles, and liquid pharmaceuticals; softener for candy; sugar crystallization inhibitor; surfactants; urethane resins and rigid foams; plasticizer, stabilizer for vinyl resins; food additive (sweetener, humectant, emulsifier, thickener, anticaking agent); dietary supplement. (Hawleys Condensed Chemical Dictionary) Biological Source: Occurs widely in plants ranging from algae to the higher orders. Fruits of the plant family Rosaceae, which include apples, pears, cherries, apricots, contain appreciable amounts. Rich sources are the fruits of the Sorbus and Crataegus species Use/Importance: Used for manufacturing of sorbose, propylene glycol, ascorbic acid, resins, plasticizers and as antifreeze mixtures with glycerol or glycol. Tablet diluent, sweetening agent and humectant, other food uses. Sorbitol is used in photometric determination of Ru(VI) and Ru(VIII); in acid-base titration of borate (Dictionary of Organic Compounds). Occurs widely in plants ranging from algae to the higher orders. Fruits of the plant family Rosaceae, which include apples, pears, cherries, apricots, contain appreciable amounts. Rich sources are the fruits of the Sorbus and Crataegus subspecies Sweetening agent and humectant and many other food uses. D-Glucitol is found in many foods, some of which are common salsify, other bread, wild rice, and common chokecherry. A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CC - Tests for bile duct patency Acquisition and generation of the data is financially supported in part by CREST/JST. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1].

Cyanide

C63H88CoN14O14P (1354.5674)

B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BA - Vitamin b12 (cyanocobalamin and analogues) D018977 - Micronutrients > D014815 - Vitamins Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2]. Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2].

Karion

C6H14O6 (182.079)

Hexane-1,2,3,4,5,6-hexol is a hexitol. Hexitol is a natural product found in Mus musculus, Salacia chinensis, and other organisms with data available. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose. Dulcite is a sugar alcohol with a slightly sweet taste which is a metabolic breakdown product of galactose.

Ergosterol peroxide

C28H44O3 (428.329)

Ergosterol peroxide is found in fruits. Ergosterol peroxide is obtained from leaves of Ananas comosus (pineapple obtained from leaves of Ananas comosus (pineapple). Ergosterol peroxide is found in pineapple and fruits.

Heptadecanoic acid

C17H34O2 (270.2559)

Heptadecanoic acid, or margaric acid, is a saturated fatty acid. It occurs as a trace component of the fat and milkfat of ruminants, but it does not occur in any natural animal or vegetable fat at concentrations over half a percent. Salts and esters of heptadecanoic acid are called heptadecanoates (Wikipedia). Heptadecanoic acid is found in many foods, some of which are dandelion, potato, ginger, and green bean. Heptadecanoic acid is a constituent of Erythrina crista-galli trunkwood and bark. Common constituent of lipids, e.g. present in Physalia physalis (Portuguese-man-of-war). Heptadecanoic acid is a fatty acid of exogenous (primarily ruminant) origin. Many "odd" length long chain amino acids are derived from the consumption of dairy fats (milk and meat). Heptadecanoic acid constitutes 0.61\\\\% of milk fat and 0.83\\\\% of ruminant meat fat. The content of heptadecanoic acid in the subcutaneous adipose tissue of humans appears to be a good biological marker of long-term milk fat intake in free-living individuals in populations with high consumption of dairy products. (PMID 9701185). Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1]. Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1].

Cordycepin

C10H13N5O3 (251.1018)

Enniatin B

C33H57N3O9 (639.4095)

Enniatin C

C36H63N3O9 (681.4564)

Fingolimod

C19H33NO2 (307.2511)

L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Linoleate

C18H32O2 (280.2402)

COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

C17:0

C17H34O2 (270.2559)

Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1]. Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1].

Oleate

C18H34O2 (282.2559)

COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].

Vitamin B12

C63H88CoN14O14P (1354.5674)

Cyanocobalamin (commonly known as Vitamin B12) is a highly complex, essential vitamin, owing its name to the fact that it contains the mineral, cobalt. This vitamin is produced naturally by bacteria, and is necessary for DNA synthesis and cellular energy production. Vitamin B12 has many forms, including the cyano-, methyl-, deoxyadenosyl- and hydroxy-cobalamin forms. The cyano form, is the most widely used form in supplements and prescription drugs,. Several pharmaceutical forms of cyanocobalamin have been developed, including the tablet, injection, and nasal spray forms,,. This drug was initially approved by the FDA in 1942. Cyanocobalamin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). vitamin B12 is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Cyanocobalamin is a cobalt-containing coordination compound generated by intestinal microbes, and a natural water-soluble vitamin of the B-complex family that must combine with Intrinsic Factor for absorption by the intestine. Cyanocobalamin is necessary for hematopoiesis, neural metabolism, DNA and RNA production, and carbohydrate, fat, and protein metabolism. B12 improves iron functions in the metabolic cycle and assists folic acid in choline synthesis. B12 metabolism is interconnected with that of folic acid. Vitamin B12 deficiency causes pernicious anemia, megaloblastic anemia, and neurologic lesions. Cyanocobalamin is a metabolite found in or produced by Saccharomyces cerevisiae. A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12. B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BA - Vitamin b12 (cyanocobalamin and analogues) D018977 - Micronutrients > D014815 - Vitamins Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2]. Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2].

D-Mannitol

C6H14O6 (182.079)

Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. Mannitol may also be used for the promotion of diuresis before irreversible renal failure becomes established; the promotion of urinary excretion of toxic substances; as an Antiglaucoma agent; and as a renal function diagnostic aid. On October 30, 2020, mannitol was approved by the FDA as add-on maintenance therapy for the control of pulmonary symptoms associated with cystic fibrosis in adult patients and is currently marketed for this indication under the name BRONCHITOL® by Chiesi USA Inc. Mannitol, a type of sugar alcohol, serves several important biological functions: Osmotic Diuretic: Mannitol is used medically as an osmotic diuretic to reduce intracranial and intraocular pressure. By increasing urine production, it helps to draw excess fluid from the brain and eyes, which is beneficial in conditions like cerebral edema and glaucoma. Sweetener and Sugar Substitute: In the food industry, mannitol is used as a sweetener and sugar substitute. It provides sweetness without contributing to tooth decay and is often used in products for diabetics because it has a minimal impact on blood sugar levels. Preservative: Mannitol’s hygroscopic properties make it useful as a preservative in various products, including pharmaceuticals and foods, to prevent moisture absorption and maintain product stability. Laxative: In high concentrations, mannitol can act as a laxative due to its osmotic effect in the intestine, drawing water into the bowel and stimulating bowel movements. Tissue Protectant: In cryopreservation, mannitol is used to protect tissues from damage caused by freezing and thawing processes. Cell Culture Medium Component: Mannitol is often included in cell culture media to maintain osmotic balance and provide a stable environment for cell growth. Pharmaceutical Excipient: It is used as an excipient in the pharmaceutical industry, helping to enhance the stability and bioavailability of drugs. Mannitol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=69-65-8 (retrieved 2024-07-01) (CAS RN: 69-65-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. DL-Mannitol is obtained by combining D-mannitol with a sample of Lmannitol obtained by reduction of L-mannono-1, Clactone[1]. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity. D-Mannitol (Mannitol) is an oral, resistant sugar widely used in the food and pharmaceutical industries to promote the absorption and retention of calcium and magnesium through cecal fermentation, while acting as a osmotic diuretic to reduce tissue edema. D-Mannitol can enhance brown fat formation, improve insulin effect, reduce blood sugar levels, And through the start the β3-adrenergic receptor (β3-AR), PGC1α and PKA induced by means of white fat cells into brown fat cells[1][2][3][4][5][6][7]. D-Mannitol is an osmotic diuretic with weak renal vasodilatory activity.

Tenellin

C21H23NO5 (369.1576)

9-deacetoxyfumigaclavine C

C21H28N2 (308.2252)

An ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562).

Palmitic Acid

C16H32O2 (256.2402)

COVID info from WikiPathways D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Bassiatin

C15H19NO3 (261.1365)

A member of the class of morpholines that is morpholine-2,5-dione substituted by a benzyl, isopropyl and a methyl group at positions 3, 6 and 4 respectively. It is isolated from the culture broth of the fungus Beauveria bassiana and acts as a platelet aggregation inhibitor.

Fingolimod

C19H33NO2 (307.2511)

L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Antibiotic AGI-B4

C16H14O7 (318.0739)

Ergosterol peroxide

C28H44O3 (428.329)

militarinone E

C26H35NO5 (441.2515)

Farinomalein

C10H13NO4 (211.0845)

Farylhydrazone B

C10H10N2O4 (222.0641)

A natural product found in Isaria farinosa.

Oosporein

C14H10O8 (306.0376)

Cordyol C

C14H14O4 (246.0892)

A catechol that is 5-methylbenzene-1,2-diol bearing a 3-hydroxy-5-methylphenoxy substituent at position 3.

torrubiellone A

C22H29NO7 (419.1944)

Adenosine

C10H13N5O4 (267.0967)

COVID info from PDB, Protein Data Bank, COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C - Cardiovascular system > C01 - Cardiac therapy Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Formula(Parent): C10H13N5O4; Bottle Name:Adenosine; PRIME Parent Name:Adenosine; PRIME in-house No.:0040 R0018, Purines MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OIRDTQYFTABQOQ_STSL_0143_Adenosine_0500fmol_180430_S2_LC02_MS02_33; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.113 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.109 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.097 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.096 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2621; CONFIDENCE confident structure Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2].

Maltotriose

C18H32O16 (504.169)

A maltotriose trisaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom.. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2]. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2].

Sorbitol

C6H14O6 (182.079)

A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CC - Tests for bile duct patency D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D005765 - Gastrointestinal Agents > D002400 - Cathartics CONFIDENCE standard compound; INTERNAL_ID 229 Acquisition and generation of the data is financially supported by the Max-Planck-Society D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1]. D-Sorbitol (Sorbitol) is a six-carbon sugar alcohol and can used as a sugar substitute. D-Sorbitol can be used as a stabilizing excipient and/or isotonicity agent, sweetener, humectant, thickener and dietary supplement[1].

Ergosterol

C28H44O (396.3392)

Indicator of fungal contamination, especies in cereals. Occurs in yeast and fungi. The main fungal steroidand is also found in small amts. in higher plant prods., e.g. palm oil [DFC]. D018977 - Micronutrients > D014815 - Vitamins > D000072664 - Provitamins Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong. Ergosterol is the primary sterol found in fungi, with antioxidative, anti-proliferative, and anti-inflammatory effects. Ergosterol is the primary sterol found in fungi, with antioxidative, anti-proliferative, and anti-inflammatory effects.

vitamin B12

C63H88CoN14O14P (1354.5674)

Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2]. Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood[1][2].

Margaric acid

C17H34O2 (270.2559)

A C17 saturated fatty acid and trace component of fats in ruminants. Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1]. Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1].

stearic acid

C18H36O2 (284.2715)

Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

Oleic acid

C18H34O2 (282.2559)

An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=112-80-1 (retrieved 2024-07-16) (CAS RN: 112-80-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].

methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate

C16H14O7 (318.0739)

Beauvericin

C45H57N3O9 (783.4095)

A trimeric cyclodepsipeptide composed from alternating methylphenylalanyl and hydroxyvaleryl residues. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2334 CONFIDENCE Reference Standard (Level 1) Beauvericin is a Fusarium mycotoxin. Beauvericin inhibits acyl-CoA: cholesterol acyltransferase (ACAT) activity with an IC50 of 3 μM in an enzyme assay using rat liver microsomes[1]. Beauvericin is a Fusarium mycotoxin. Beauvericin inhibits acyl-CoA: cholesterol acyltransferase (ACAT) activity with an IC50 of 3 μM in an enzyme assay using rat liver microsomes[1].

Stearamide

C18H37NO (283.2875)

HEPTADECANOIC ACID

C17H34O2 (270.2559)

methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate

C16H14O7 (318.0739)

patulin

C7H6O4 (154.0266)

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].

Diacetoxyscirpenol

C19H26O7 (366.1678)

Hexadecanoic acid

C16H32O2 (256.2402)

Octadecanoic acid

C18H36O2 (284.2715)

A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.

Dipicolinic acid

C7H5NO4 (167.0219)

A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. D064449 - Sequestering Agents > D002614 - Chelating Agents D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 901; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3711; ORIGINAL_PRECURSOR_SCAN_NO 3707 CONFIDENCE standard compound; INTERNAL_ID 901; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3685; ORIGINAL_PRECURSOR_SCAN_NO 3681 CONFIDENCE standard compound; INTERNAL_ID 901; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3696; ORIGINAL_PRECURSOR_SCAN_NO 3694 CONFIDENCE standard compound; INTERNAL_ID 901; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3709; ORIGINAL_PRECURSOR_SCAN_NO 3706 CONFIDENCE standard compound; INTERNAL_ID 901; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3720; ORIGINAL_PRECURSOR_SCAN_NO 3718

Balanol

C28H26N2O10 (550.1587)

Gerfelin

C15H14O6 (290.079)

A member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 2,3-dihydroxy-5-methylphenoxy group.

Enniatin C

C36H63N3O9 (681.4564)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

Cognac oil

C18H32O2 (280.2402)

An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Red oil

C18H34O2 (282.2559)

COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].

linoleic

C18H32O2 (280.2402)

Linolelaidic acid (Linoelaidic acid), an omega-6 trans fatty acid, acts as a source of energy. Linolelaidic acid is an essential nutrient, adding in enteral, parenteral, and infant formulas. Linolelaidic acid can be used for heart diseases research[1]. Linolelaidic acid (Linoelaidic acid), an omega-6 trans fatty acid, acts as a source of energy. Linolelaidic acid is an essential nutrient, adding in enteral, parenteral, and infant formulas. Linolelaidic acid can be used for heart diseases research[1].

AI3-36481

C17H34O2 (270.2559)

Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1]. Heptadecanoic acid is an odd chain saturated fatty acid (OCS-FA). Heptadecanoic acid is associated with several diseases, including the incidence of coronary heart disease, prediabetes and type 2 diabetes as well as multiple sclerosis[1].

4-Hydroxy-5-methoxy-10-methyloxecane-2,7-dione

C11H18O5 (230.1154)

cordyheptapeptide A

C49H65N7O8 (879.4894)

A homodectic cyclic peptide made up from N-methylglycyl, L-phenylalanyl, N-methyl-L-tyrosyl, L-isoleucyl, L-leucyl, N-methyl-D-phenylalanyl and L-prolyl residues linked in sequence. It is an antimalarial drug isolated from the insect pathogenic fungus Cordyceps.

Militarinone E, (rel)-

C26H35NO5 (441.2515)

A natural product found in Isaria farinosa.

TERPINOLENE

C10H16 (136.1252)

A p-menthadiene with double bonds at positions 1 and 4(8).

Amylotriose

C18H32O16 (504.169)

COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2]. Maltotriose, the second most abundant sugar present in brewing, is an inducer of the maltose regulon of Escherichia coli. Maltotriose can induce beta-galactosidase synthesis[1][2].

Bassianolide

C48H84N4O12 (908.6085)

A cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Verticillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170.

Torrubiellone A, (cis)-

C22H29NO7 (419.1944)

A natural product found in Torrubiella species.

3,6,12,18-tetraisopropyl-4,10,16-trimethyl-9,15-bis(2-methylpropyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C35H61N3O9 (667.4408)

6-benzyl-5,8,11-trihydroxy-9-isopropyl-13-(octan-2-yl)-3-(sec-butyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C31H49N3O5 (543.3672)

3,9,15-triisopropyl-4,10,16-trimethyl-6,12,18-tris(2-methylpropyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C36H63N3O9 (681.4564)

3-benzyl-1,10-dihydroxy-6,9-diisopropyl-5,8-dimethyl-16-(2-methylpropyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C35H53N5O7 (655.3945)

5-hydroxy-2-[(2z)-6-methylhept-2-en-2-yl]benzoic acid

C15H20O3 (248.1412)

2-[3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

C21H26O8 (406.1628)

4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxybenzoic acid

C15H20O9 (344.1107)

2-[(2-{[2-(2-amino-n,3-dimethylbutanamido)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]benzoic acid

C28H38N4O5 (510.2842)

militarinone f

C26H35NO5 (441.2515)

(3s,4ar,5r,8ar)-5-(2-hydroxypropan-2-yl)-3-methyl-8-methylidene-octahydronaphthalen-2-one

C15H24O2 (236.1776)

3-{4-[2-({4-[2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}propanoic acid

C29H32O11 (556.1945)

(z)-3',5,5',6'-tetrahydroxy-4,4'-dimethyl-[1,1'-bi(cyclohexylidene)]-3',4,5'-triene-2,2',3,6-tetrone

C14H10O8 (306.0376)

3,6,9,15-tetraisopropyl-4,10,16-trimethyl-12,18-bis(sec-butyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C35H61N3O9 (667.4408)

(1s,12s,15s,20r)-15-hydroxy-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-one

C23H29NO2 (351.2198)

(3s,6s,9r,12s,19s)-3-benzyl-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-19-[(2s,4s)-4-methyldecan-2-yl]-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C39H63N5O7 (713.4727)

(3s,6s,9r,12s,19s)-3-benzyl-6-ethyl-5,8,11,14,17-pentahydroxy-12-isopropyl-19-[(2s,4s)-4-methyldecan-2-yl]-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C40H65N5O7 (727.4884)

n-[1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid

C18H16N2O6 (356.1008)

methyl 2-({5-[(r)-hydroxy(phenyl)methyl]pyridin-2-yl}formamido)acetate

C16H16N2O4 (300.111)

(2e)-n-[(1s,2s,4's,5'r,6s)-5'-hydroxy-3-oxo-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-4-en-4'-yl]dodec-2-enimidic acid

C21H31NO5 (377.2202)

6,9-dibenzyl-13-(hexan-2-yl)-5,8,11-trihydroxy-3-(sec-butyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C33H45N3O5 (563.3359)

2-[7-(hydroxymethyl)-6-pentyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

C17H26O3 (278.1882)

methyl (1s,2s)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate

C16H16O7 (320.0896)

2-{[(2s,3r)-2-{[(2r)-2-[(2s)-2-amino-n,4-dimethylpentanamido]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-3-hydroxybenzoic acid

C29H40N4O6 (540.2948)

(3e)-n-[(4e,9e)-7-ethyl-3-hydroxy-10-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,9-dien-2-yl]-2-hydroxyhexadec-3-enimidic acid

C41H75NO9 (725.5442)

(3r,5r)-5-hydroxy-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid

C16H30O9 (366.189)

(3s,6r,9s,12r,15s,18r)-3,9,15-tribenzyl-6,12,18-tris[(2r)-butan-2-yl]-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C48H63N3O9 (825.4564)

(3s,6s,9r,12s)-19-butyl-5,8,11,14,17-pentahydroxy-3,12-diisopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C28H49N5O7 (567.3632)

3-hydroxy-4-[(2r)-2-methoxy-6-methylheptan-2-yl]benzoic acid

C16H24O4 (280.1675)

(3s,4as,5s,8ar)-5-isopropyl-3-methyl-8-methylidene-octahydronaphthalen-2-one

C15H24O (220.1827)

3-[(1r,2s,4as,7s,8as)-4,7-dimethyl-1-[(1e)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-5-(4-hydroxyphenyl)pyridine-2,4-diol

C27H31NO4 (433.2253)

12-hydroxy-n-{2,9,10-trihydroxy-6-oxo-1-oxaspiro[4.5]dec-7-en-3-yl}dodec-2-enimidic acid

C21H33NO7 (411.2257)

(2s)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2e,4e)-1,6,7-trihydroxy-2,4,6-trimethylocta-2,4-dien-1-ylidene]-2h-pyrrol-3-one

C22H27NO6 (401.1838)

(3s,6r,9s,12r,15s,18s)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C45H57N3O9 (783.4095)

(3r,6s,9s,12s,15s,18s,21s,24s)-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone

C48H84N4O12 (908.6085)

(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate

C35H36O12 (648.2207)

7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.0⁴,⁹.0⁴,¹³]pentadec-7-ene-1,12,15-triol

C15H22O5 (282.1467)

4,10-dibenzyl-14,16-dihydroxy-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.2⁴,⁷]hexadeca-13,15-diene-6,12-dione

C26H28N4O6S4 (620.0892)

methyl 2-({5-[hydroxy(phenyl)methyl]pyridin-2-yl}formamido)acetate

C16H16N2O4 (300.111)

2-{[(2s)-2-{[(2r)-2-[(2s,3r)-2-amino-n,3-dimethylpentanamido]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}benzoic acid

C28H38N4O5 (510.2842)

(3s)-5-[(3s)-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol

C32H34O8 (546.2254)

n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodeca-2,10-dienimidic acid

C22H32ClNO5 (425.1969)

10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecane-4,11-diol

C16H20O5 (292.1311)

19-hexyl-5,8,11,14,17-pentahydroxy-12-isopropyl-3,6-dimethyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C28H49N5O7 (567.3632)

(5r,8s,9r)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxypent-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C21H23NO8 (417.1424)

(3s,6r,9s,12r,15s,18r)-17-hydroxy-3,6,9,12-tetraisopropyl-4,10,16-trimethyl-15-(2-methylpropyl)-18-(sec-butyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14-pentone

C35H63N3O9 (669.4564)

(3s,6r,9s,12r,15s,18r)-17-hydroxy-3,6,9,18-tetraisopropyl-4,10,16-trimethyl-15-(2-methylpropyl)-12-(sec-butyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14-pentone

C35H63N3O9 (669.4564)

(8r)-8-ethyl-2,3,8-trimethylchromene-4,7-dione

C14H16O3 (232.1099)

5,9,10,11,22,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²³,²⁸]nonacosa-3,5,8,10,12,15,18,21,23,25,27-undecaene-7,14,20-trione

C30H20O10 (540.1056)

4,10-dibenzyl-12,14,16-trihydroxy-1,7-bis(hydroxymethyl)-5-methyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.2⁴,⁷]hexadeca-11,13,15-trien-6-one

C25H26N4O6S4 (606.0735)

(6s,9s)-3-[(2s)-butan-2-yl]-13-(hexan-2-yl)-5,8,11-trihydroxy-9-isopropyl-6-methyl-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C23H41N3O5 (439.3046)

(3r,6s,9s,13r)-6-benzyl-3-[(2s)-butan-2-yl]-5,8,11-trihydroxy-9-isopropyl-13-[(2s)-octan-2-yl]-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C31H49N3O5 (543.3672)

(2s)-2-{[(3r)-3,4-dicarbamimidamido-1-hydroxybutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C15H23N7O4 (365.1811)

6-{10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,10-diol

C32H34O9 (562.2203)

(3s,6r,9s,12r,15s,18r)-3,9,15-tribenzyl-6-[(2s)-butan-2-yl]-12,18-diisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C46H59N3O9 (797.4251)

(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid

C21H32ClNO5 (413.1969)

hexadecanimidic acid

C16H33NO (255.2562)

(3s,6s,9r,12s)-5,8,11,14,17-pentahydroxy-3,12-diisopropyl-6-methyl-9-(2-methylpropyl)-19-pentyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C29H51N5O7 (581.3788)

(3s,4s)-6-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol

C31H32O10 (564.1995)

1,4-dihydroxy-5-(4-hydroxycyclohex-1-en-1-yl)-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)pyridin-2-one

C26H35NO5 (441.2515)

(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodec-2-enimidic acid

C22H34ClNO5 (427.2125)

3-chloro-5-[(2e,4r)-4-{[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methyl-5-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde

C30H43ClO10 (598.2545)

(4s,5r)-4-hydroxy-5-({4-hydroxy-3-[(2e,4e,6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-2-oxopyridin-1-yl}oxy)-10-methyloxecane-2,7-dione

C31H37NO10 (583.2417)

methyl (1s,2s,3s)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate

C16H16O8 (336.0845)

2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.0¹,¹⁰.0⁴,⁹]pentadec-5-en-12-one

C15H20O4 (264.1362)

1,4-dihydroxy-3-[(6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)pyridin-2-one

C21H23NO6 (385.1525)

2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylpentanamido}-3-phenylpropanoic acid

C18H26N2O4 (334.1892)

6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8,18-pentaen-17-one

C30H39NO7 (525.2726)

(3s,6s)-3-benzyl-6-(hydroxymethyl)-3,6-dihydropyrazine-2,5-diol

C12H14N2O3 (234.1004)

3-hydroxy-4-(6-hydroxy-6-methylhept-2-en-2-yl)benzoic acid

C15H20O4 (264.1362)

8-ethyl-5-(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione

C21H24O6 (372.1573)

5-hydroxy-2-[hydroxy(4-hydroxyphenyl)methyl]-4-(1-hydroxy-4,6-dimethylocta-2,4-dien-1-ylidene)-2h-pyrrol-3-one

C21H25NO5 (371.1733)

methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate

C16H16O7 (320.0896)

(3r,6s,9s,13s)-13-[(2s)-hexan-2-yl]-5,8,11-trihydroxy-9-[(4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C27H41N3O6 (503.2995)

(2e)-12-hydroxy-n-[(2r,3s,5s)-2,9,10-trihydroxy-6-oxo-1-oxaspiro[4.5]dec-7-en-3-yl]dodec-2-enimidic acid

C21H33NO7 (411.2257)

(3s,4s)-5-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol

C31H32O10 (564.1995)

(3s,6r,9s,12r,15s,18r)-6,12-bis[(2s)-butan-2-yl]-3,9,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C35H61N3O9 (667.4408)

(8e)-9-{[(2s)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-yl]-c-hydroxycarbonimidoyl}non-8-enoic acid

C19H27NO5 (349.1889)

(2e)-n-[(1s,2s,4s,5s,6s,7r,8s)-1,7-dihydroxy-5-methoxy-10-oxo-3-oxatricyclo[4.3.1.0²,⁴]decan-8-yl]dodec-2-enimidic acid

C22H35NO6 (409.2464)

2,2',4,4',5,5',7-heptahydroxy-7'-methoxy-[1,1'-bianthracene]-9,9',10,10'-tetrone

C29H16O12 (556.0642)

(3s,6r)-6-benzyl-5-hydroxy-3-[(2r,3r)-3-hydroxybutan-2-yl]-1-methyl-3,6-dihydropyrazin-2-one

C16H22N2O3 (290.163)

4-hydroxy-5-(5-hydroxy-2-oxohexyl)oxolan-2-one

C10H16O5 (216.0998)

4a,5,6,7,8-pentahydroxy-2,2-dimethyl-7-(3-methylbut-3-en-1-yn-1-yl)-hexahydro-1-benzopyran-3-yl acetate

C18H26O8 (370.1628)

(1s,17s,29r)-5,9,10,11,22,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²³,²⁸]nonacosa-3,5,8,10,12,15,18,21,23,25,27-undecaene-7,14,20-trione

C30H20O10 (540.1056)

methyl 4-(3-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methylphenoxy)-2-hydroxy-6-methylbenzoate

C23H28O10 (464.1682)

(4s,5s,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione

C11H18O5 (230.1154)

(3s,4s)-5-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate

C34H36O11 (620.2258)

17-hydroxy-3,6,9,18-tetraisopropyl-4,10,16-trimethyl-15-(2-methylpropyl)-12-(sec-butyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14-pentone

C35H63N3O9 (669.4564)

1,1',3,3',6,8,8'-heptahydroxy-6'-methoxy-[2,2'-bianthracene]-9,9',10,10'-tetrone

C29H16O12 (556.0642)

6-benzyl-13-(hexan-2-yl)-5,8,11-trihydroxy-9-(1h-indol-3-ylmethyl)-3-(sec-butyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C35H46N4O5 (602.3468)

(2e,4e,6e,8r,10r)-1-[5-(1,4-dihydroxycyclohexyl)-2,4-dihydroxypyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one

C26H37NO5 (443.2672)

2-{2-[1-(carboxymethylcarbamoyl)ethylidene]hydrazin-1-yl}benzoic acid

C12H13N3O5 (279.0855)

(1s,3s,4s,5s,6s,7s,10r)-4,5,6-trihydroxy-9,9-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,8-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl acetate

C18H24O7 (352.1522)

(3s,6s,9s,16s,21as)-3,9-dibenzyl-1,10-dihydroxy-6-isopropyl-5,8-dimethyl-16-(2-methylpropyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C39H53N5O7 (703.3945)

n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid

C21H32ClNO5 (413.1969)

6-hydroxy-4,7,12,16,16-pentamethyl-2,9,15,17-tetraoxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(19),3(8),4,6,11,13-hexaen-10-one

C20H20O6 (356.126)

(3r,5r)-5-{[(3r,5r)-5-{[(3r,5r)-5-(acetyloxy)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoyl]oxy}-3-hydroxydecanoyl]oxy}-3-hydroxydecanoic acid

C38H68O16 (780.4507)

3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tris(sec-butyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

C48H63N3O9 (825.4564)

5,6,7-trihydroxy-10,10-dimethyl-4-(3-methylbut-3-en-1-yn-1-yl)-3,11-dioxatricyclo[5.4.0.0²,⁴]undecan-9-yl acetate

C18H24O7 (352.1522)

3-[4-(2-{[4-(but-1-en-1-yl)-2,5-dioxofuran-3-yl]methyl}butyl)-2,5-dioxofuran-3-yl]propanoic acid

C20H22O8 (390.1315)

2-hydroxy-3,7,8-trimethylbenzo[g]pteridin-4-one

C13H12N4O2 (256.096)

(1r,3r,5s,7s,8s,11r)-10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecan-11-yl acetate

C18H20O6 (332.126)

(3s,6s,9s,16s,21as)-1,10-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-5,8-dimethyl-9,16-bis(2-methylpropyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C36H55N5O8 (685.405)

1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one

C26H31NO4 (421.2253)

2-(hydroxymethyl)-3-(1-hydroxypentyl)phenol

C12H18O3 (210.1256)

(1r,1'r,3'r,4s,5'r,7'r)-7'-(hydroxymethyl)-3',4-dimethyl-8',9'-dioxaspiro[cyclohexane-1,2'-tricyclo[3.3.1.0³,⁷]nonan]-2-en-4-ol

C15H22O4 (266.1518)

(3s,6s,9r,12s,19r)-5,8,11,14,17-pentahydroxy-3,12-diisopropyl-6-methyl-9-(2-methylpropyl)-19-nonyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C33H59N5O7 (637.4414)

(1s,2r,6s,10r)-2,13-dihydroxy-14-[(2e,4e,6s)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-12-(4-hydroxyphenyl)-6-methyl-5,17-dioxa-16-azatricyclo[8.7.0.0¹¹,¹⁶]heptadeca-11,13-diene-4,9,15-trione

C31H35NO10 (581.2261)

(3r,6r)-3-benzyl-6-(hydroxymethyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione

C16H22N2O3S2 (354.1072)

5,8,11-trihydroxy-9-isopropyl-6-methyl-13-(octan-2-yl)-3-(sec-butyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one

C25H45N3O5 (467.3359)

beauvericin

C45H57N3O9 (783.4095)

{"Ingredient_id": "HBIN017671","Ingredient_name": "beauvericin","Alias": "NA","Ingredient_formula": "C45H57N3O9","Ingredient_Smile": "CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C","Ingredient_weight": "783.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2188","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44419427","DrugBank_id": "NA"}

(2s,3r,4r,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

C14H20O8 (316.1158)

16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9,21-tetramethyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C30H50ClN5O8 (643.3348)

1-[5-(1,4-dihydroxycyclohexyl)-2,4-dihydroxypyridin-3-yl]-8-(hydroxymethyl)deca-2,4,6-trien-1-one

C22H29NO6 (403.1995)

2-{[(2s,3r)-2-{[(2r)-2-[(2s,3r)-2-amino-n,3-dimethylpentanamido]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylpentylidene]amino}benzoic acid

C29H40N4O5 (524.2999)

(3s,6s,9s,16s,21as)-1,7,10-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-5-methyl-9,16-bis(2-methylpropyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,14,17-trione

C35H53N5O8 (671.3894)

3-[1,4,7,16,19-pentahydroxy-18-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-9-isopropyl-21-methyl-12-nonyl-10,22-dioxo-3h,6h,9h,12h,13h,14h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl]propanimidic acid

C44H69N7O11 (871.5055)