Exact Mass: 295.0569344
Exact Mass Matches: 295.0569344
Found 329 metabolites which its exact mass value is equals to given mass value 295.0569344,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Prunasin
(R)-prunasin is a prunasin. Prunasin is a natural product found in Polypodium californicum, Chaenorhinum minus, and other organisms with data available. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta) Prunasin belongs to the family of O-glycosyl Compounds. These are glycosides in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Isolated from kernels of Prunus subspecies, immature fruits of Passiflora subspecies and leaves of perilla (Perilla frutescens variety acuta). Prunasin is found in many foods, some of which are almond, sour cherry, black elderberry, and herbs and spices. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta D004791 - Enzyme Inhibitors
Diclofenac
C14H11Cl2NO2 (295.01668060000003)
Diclofenac is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt. [PubChem]The antiinflammatory effects of diclofenac are believed to be due to inhibition of both leukocyte migration and the enzyme cylooxygenase (COX-1 and COX-2), leading to the peripheral inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, inhibition of their synthesis is responsible for the analgesic effects of diclofenac. Antipyretic effects may be due to action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat dissipation. CONFIDENCE standard compound; INTERNAL_ID 186; ORIGINAL_ACQUISITION_NO 4640; ORIGINAL_PRECURSOR_SCAN_NO 4636; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 186; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9659; ORIGINAL_PRECURSOR_SCAN_NO 9657 CONFIDENCE standard compound; INTERNAL_ID 186; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9639; ORIGINAL_PRECURSOR_SCAN_NO 9636 CONFIDENCE standard compound; INTERNAL_ID 186; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4656; ORIGINAL_PRECURSOR_SCAN_NO 4654 CONFIDENCE standard compound; INTERNAL_ID 186; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4640; ORIGINAL_PRECURSOR_SCAN_NO 4636 M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 201 CONFIDENCE standard compound; INTERNAL_ID 4093 CONFIDENCE standard compound; INTERNAL_ID 2346 CONFIDENCE standard compound; INTERNAL_ID 8569 CONFIDENCE standard compound; INTERNAL_ID 1147 D000893 - Anti-Inflammatory Agents KEIO_ID D128; [MS2] KO008928 D004791 - Enzyme Inhibitors D - Dermatologicals KEIO_ID D128
N4-Acetylsulfamethoxazole
N4-Acetylsulfamethoxazole is a metabolite of the sulfonamide bacteriostatic antibiotic sulfamethoxazole. Sulfamethoxazole is metabolized via acetylation catalyzed by liver extramitochondrial N-acetyl transferases. Acetylsulfamethoxazole is excreted in urine. Acetylsulfamethoxazole and sulfamethoxazole can be used as a probe for the molecular percentage enrichment of liver extramitochondrial acetyl-CoA. N4-Acetylsulfamethoxazole can be used as a reference for measuring sulfamethoxazole impurities and waste determination (PMID: 15307787). It is one of the critical aspects of urine and stone analysis (PMID: 3811034) and its quantitative determination in body fluids could be performed by reversed-phase high-performance liquid chromatography, a rapid, precise and simple procedure (PMID: 6668314). It is also reported the renal excretion rate of the metabolite N4-acetylsulfamethoxazole is not dependent on the urinary pH (PMID: 670346). N4-Acetylsulfamethoxazole is only found in individuals who have consumed the drug sulfamethoxazole. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 299
Meclofenamic acid
C14H11Cl2NO2 (295.01668060000003)
Meclofenamic acid is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis. [PubChem]The mode of action, like that of other nonsteroidal anti-inflammatory agents, is not known. Therapeutic action does not result from pituitary-adrenal stimulation. In animal studies, meclofenamic acid was found to inhibit prostaglandin synthesis and to compete for binding at the prostaglandin receptor site. In vitro meclofenamic acid was found to be an inhibitor of human leukocyte 5-lipoxygenase activity. These properties may be responsible for the anti-inflammatory action of meclofenamic acid. There is no evidence that meclofenamic acid alters the course of the underlying disease. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3690 D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
5-Aminoimidazole ribonucleotide
5-aminoimidazole ribonucleotide (AIR), is an intermediate of purine nucleotide biosynthesis. It is also the precursor to 4-amino-2-methyl-5-hydroxymethylpyrimidine (HMP), the first product of pyrimidine biosynthesis. This reaction is mediated by the enzyme HMP-P kinase (ThiD). HMP is a precursor of thiamine phosphate (TMP), and subsequently to thiamine pyrophosphate (TPP). TPP is an essential cofactor in all living systems that plays a central role in metabolism. (PMID: 15326535). 5-Aminoimidazole ribonucleotide is a substrate for a number of proteins including: Scaffold attachment factor B2, Multifunctional protein ADE2, Pulmonary surfactant-associated protein B, Tumor necrosis factor receptor superfamily member 25, Pulmonary surfactant-associated protein C, Serine/threonine-protein kinase Chk1, Vinexin, Trifunctional purine biosynthetic protein adenosine-3, Antileukoproteinase 1 and Scaffold attachment factor B. 5-aminoimidazole ribonucleotide (AIR), is an intermediate of purine nucleotide biosynthesis. It is also the precursor to 4-amino-2-methyl-5-hydroxymethylpyrimidine (HMP), the first product of pyrimidine biosynthesis. This reaction is mediated by the enzyme HMP-P kinase (ThiD). HMP is a precursor of thiamine phosphate (TMP), and subsequently to thiamine pyrophosphate (TPP). TPP is an essential cofactor in all living systems that plays a central role in metabolism. (PMID: 15326535) COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Indican
Indican is a colourless, water-soluble organic compound consisting of an indole ring conjugated to glucose. It is an indole glycoside. Its hydrolysis yields β-D-glucose and indoxyl. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. The oxidation of indican by a mild oxidizing agent, e.g. atmospheric oxygen or CYP450 enzymes, yields indigo dye which is blue in colour. Indican is a substance occurring naturally in the urine of humans and mammals and also in blood plasma as a normal metabolite of tryptophan. Tryptophan is first converted to indole by gut bacteria. Following absorption from the gut, indole is converted to 3-hydroxyindole (indoxyl or indican) in the liver, where it is again then conjugated with sulfuric acid or glucoronic acid through normal xenobiotic metabolism pathways. It is then transported to the kidneys for excretion. In individuals affected by the blue diaper syndrome (a rare, autosomal recessive metabolic disorder characterized in infants by bluish urine-stained diapers), the patients exhibit a defect in tryptophan metabolism, leading to an increase in indican synthesis. Indican is then excreted into the urine and from there into the diaper where, upon exposure to air, it is converted to indigo blue dye due to oxidation by atmospheric oxygen. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan (PMID: 19967017). Hartnup disease is an autosomal recessive metabolic disorder affecting the absorption of nonpolar amino acids (particularly tryptophan), which leads to excessive bacterial fermentation of tryptophan (to indole) in the gut. Indican has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Its excretion is decreased by the presence of Lactobacillus bacteria in the gut (PMID: 6785555 ). Indican is an indolyl carbohydrate, a beta-D-glucoside and an exopolysaccharide. Indican is a natural product found in Indigofera suffruticosa, Isatis tinctoria, and other organisms with data available. Indican is a toxic metabolite derived from dietary proteins and tryptophan. In the intestine, proteins and tryptophan are converted to indole by tryptophanase-expressing organisms. In the liver, indole is hydroxylated to form indoxyl and indoxyl is sufated to produce indican. Overproduction of indican is associated with glomerular sclerosis, interstitial fibrosis and renal failure. Indican is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. It is a colourless organic compound, soluble in water, naturally occurring in Indigofera plants. It is a precursor of indigo dye. Indican interferes with many commercial procedures for measuring total bilirubin[6] which can be a problem for renal failure patients where blood indican levels are raised. It can cause gastrointestinal symptoms in patients where protein absorption is reduced - like Hartnups disease, allowing for greater bacterial decomposition of the Tryptophan to indole and its conversion to indican.
Citalopram aldehyde
Citalopram aldehyde is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
Sambunigrin
Isolated from leaves of elderberry (Sambucus nigra) and from other plants. Sambunigrin is found in passion fruit, fruits, and black elderberry. Sambunigrin is found in black elderberry. Sambunigrin is isolated from leaves of elderberry (Sambucus nigra) and from other plant
mebendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents INTERNAL_ID 8534; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8534 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3668 CONFIDENCE standard compound; INTERNAL_ID 1164 CONFIDENCE standard compound; INTERNAL_ID 1064
Mebendazole
Mebendazole is only found in individuals that have used or taken this drug. It is a benzimidazole that acts by interfering with carbohydrate metabolism and inhibiting polymerization of microtubules. [PubChem]Mebendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents
Piperolactam D
Piperolactam D is found in herbs and spices. Piperolactam D is an alkaloid from the roots of Piper longum (long pepper),. Alkaloid from the roots of Piper longum (long pepper),. Piperolactam D is found in herbs and spices.
Prulaurasin
Prulaurasin is found in fruits. Prulaurasin is isolated from cherry laurel leaves (Prunus laurocerasus) and other plant Isolated from cherry laurel leaves (Prunus laurocerasus) and other plants. Prulaurasin is found in fruits. D004791 - Enzyme Inhibitors
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits. (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is a constituent of the leaves and stems of passion fruit (Passiflora edulis). Constituent of the leaves and stems of passion fruit (Passiflora edulis). (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits.
Nor-ketotifen
Nor-ketotifen is a metabolite of ketotifen. Ketotifen is a second-generation H1-antihistamine and mast cell stabilizer. It is most commonly sold in as a salt of fumaric acid, ketotifen fumarate, and is available in two forms. In its ophthalmic form, it is used to treat allergic conjunctivitis, or the itchy red eyes caused by allergies. In its oral form, it is used to prevent asthma attacks. Side effects include drowsiness, weight gain, dry mouth, irritability, and increased nosebleeds. (Wikipedia)
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium is considered to be soluble (in water) and acidic
2-Methyl-3-(3-nitro-o-tolyl)-4(3H)-quinazolinone
2-(4-Chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
N(1)-Acetylsulfamethoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Nepicastat
3-Hydroxy-1,2-dimethoxydibenz[cd,f]indol-4(5H)-one
Piperlactam S
Piperlactam S is an organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2. It has a role as a plant metabolite, an antioxidant and an anti-inflammatory agent. It is an organic heterotetracyclic compound, an aromatic ether, a gamma-lactam, an alkaloid and a member of phenols. 2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one is a natural product found in Piper hongkongense, Piper puberulum, and Piper kadsura with data available. An organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam
nimetazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
6-(1-acetoxy-2-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione
C11H13N5O5 (295.09166480000005)
O1-(4-Cyan-phenyl)-beta-D-glucopyranuronsaeure|O1-(4-cyano-phenyl)-beta-D-glucopyranuronic acid
5-hydroxy-2-methyl-pyrano[2,3:5,6]chromeno[3,4-c]pyridine-4,8-dione|Schumanniophytin|Schumanniophytine
6-(2-acetoxy-1-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione
C11H13N5O5 (295.09166480000005)
(+)-N-[3,4-dihydroxy-(E)-cinnamoyl]-L-aspartic acid|N-(E)-caffeic acid L-aspartic acid amide
Penipanoid A
A member of the class of benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum.
(4-beta-D-Glucopyranosyloxy-phenyl)-acetonitril|(4-beta-D-glucopyranosyloxy-phenyl)-acetonitrile|(4-hydroxyphenyl)acetonitrile 4-O-beta-D-glucopyranoside|hydranitriloside B2|[4-(beta-D-glucopyranosyloxy)phenyl]acetonitrile
8-(2-aminoethyl)-1,1-dioxo-2,3,4,6-tetrahydropyrrolo[2,3-g][1,4]benzothiazine-5,9-dione
2,10,11-trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione
7-Hydroxy-6-methoxy-1-(4-hydroxybenzoyl)isoquinoline
Aristolactam A III
Aristololactam A-III is a natural product found in Aristolochia kaempferi and Aristolochia liukiuensis with data available.
Acetylsulfamethoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 2672 CONFIDENCE standard compound; INTERNAL_ID 8589 CONFIDENCE standard compound; INTERNAL_ID 4117 CONFIDENCE standard compound; INTERNAL_ID 2014
(+)-N-[3,4-Dihydroxy-(E)-cinnamoyl]-L-aspartic acid
(+)-N-[3,4-Dihydroxy-(Z)-cinnamoyl]-L-aspartic acid
C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
diclofenac
C14H11Cl2NO2 (295.01668060000003)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors D - Dermatologicals
prulaurasin
D004791 - Enzyme Inhibitors
meclofenamic acid
C14H11Cl2NO2 (295.01668060000003)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-Quinoline-3-carboxylic acid
4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-
C12H7F6NO (295.04318040000004)
piperolactam D
(S)-malyl alpha-D-glucosaminide
C10H17NO9 (295.09032720000005)
A D-glucosaminide having (S)-malyl as the anomeric substituent and alpha-configuration at the anomeric centre.
METHYL 2-[BENZENESULFONYLIMINO]-3,3,3-TRIFLUOROPROPIONATE
Amfenac sodium hydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Food additive
4-Nitro-2-(2,5,5-trimethyl-[1,3]dioxan-2-yl)-benzoic acid
Ethyl 2-(2-bromo-1-methyl-1H-indol-3-yl)acetate
(BENZENESULFONYL-FURAN-2-YLMETHYL-AMINO)-ACETIC ACID
3-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)OXY]PYRIDINE-2-CARBOXYLICACID
C12H13N3O6 (295.08043180000004)
N-(2-Chlorobenzyl)-1-phenyl-2-propanamine hydrochloride (1:1)
C16H19Cl2N (295.08944740000004)
Benzamide,2,4-dichloro-N-(4-methoxyphenyl)-
C14H11Cl2NO2 (295.01668060000003)
2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
N-(2-NITROBENZENESULFONYL)-1,3-DIAMINOPROPANE HYDROCHLORIDE
C9H14ClN3O4S (295.03935140000004)
2-(3-Trifluoromethoxy-phenyl)-benzothiazole
C14H8F3NOS (295.02786740000005)
7-BENZYL-5,6,7,8-TETRAHYDRO4-CHLORO-PYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
C17H13NO2S (295.06669580000005)
4-((4-Chlorophenyl)sulfonyl)piperidine hydrochloride
2-(3-BROMO-2,2-DIMETHYLPROPYL)ISOINDOLINE-1,3-DIONE
3-AMINO-3-[5-(3-CHLORO-4-METHOXYPHENYL)-FURAN-2-YL]-PROPIONIC ACID
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid
(4-(N-(4-Fluorophenyl)sulfamoyl)phenyl)boronic acid
N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine hydrochloride
C13H20Cl3N (295.06612500000006)
Dibenamine hydrochloride
C16H19Cl2N (295.08944740000004)
Dibenamine hydrochloride is a competitive and irreversible?adrenergic blocking agent and?is known to modify the pharmacological effects of epinephrine. Dibenamine hydrochloride cause a significant increase in the rate of destruction of I-epinephrine in the mouse[1][2].
Chlorothen
C14H18ClN3S (295.09098980000005)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2,3,6-PYRIDINETRICARBOXYLIC ACID, 2,3,6-TRIETHYL ESTER
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
3-(4-CHLOROPHENYL)-3-(2,2,2-TRIFLUOROACETAMIDO)PROPANOIC ACID
C11H9ClF3NO3 (295.02230299999997)
9-(3,4-dichlorophenyl)-3-azaspiro[5.5]undec-9-ene
C16H19Cl2N (295.08944740000004)
2-(4-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE
C17H13NO2S (295.06669580000005)
4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenylamine
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)HEXANEDIOIC ACID
3-(TRIFLUOROMETHYL)-1-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-5-AMINE
4-aminobenzoic acid,(2,5-dioxoimidazolidin-4-yl)urea
C11H13N5O5 (295.09166480000005)
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)ethanone
C18H14ClNO (295.07638640000005)
2-(3-(BENZYLOXY)PHENYL)THIAZOLE-4-CARBALDEHYDE
C17H13NO2S (295.06669580000005)
2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
ETHYL5-CHLORO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL5-CHLORO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
(5-OXO-5-PHENYL-PENTYL)-CARBAMICACIDTERT-BUTYLESTER
4-CHLORO-2-(1-(NAPHTHALEN-1-YLIMINO)ETHYL)PHENOL
C18H14ClNO (295.07638640000005)
dimethyl 7-chloro-4-oxo-1H-quinoline-2,3-dicarboxylate
Azidamfenicol
C11H13N5O5 (295.09166480000005)
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2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
5-(Trifluoromethyl)-2-deoxycytidine
C10H12F3N3O4 (295.07798679999996)
3,5-BIS(ACETYLAMINO)-4-METHYL-2-NITRO-BENZOIC ACID
C12H13N3O6 (295.08043180000004)
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate
3- bis(trime-silyl)amino!phe-magnesium
C12H22ClMgNSi2 (295.08297419999997)
4-AMINO-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER 2HCL
4-chloro-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Methyl 1-(5-chloro-3-fluoropyridin-2-yl)-5-cyclopropyl-1H-pyrazole-4-carboxylate
ETHYL 5-HYDROXY-8-METHYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
4,6-DIAMINO-1-(4-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
2-(3-HYDROXY-4-METHOXYPHENYL)QUINOLINE-4-CARBOXYLICACID
2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone
C14H18NO4P (295.09733980000004)
methyl (E)-3-(2-chloro-6-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate
6-bromospiro[1,3-dihydroquinazoline-2,4-piperidine]-4-one
C12H14BrN3O (295.03201740000003)
2-BENZYL-7-BROMO-6-METHOXY-2-AZABICYCLO[2.2.1]HEPTANE
methyl 4-(4-pyridin-4-ylphenyl)thiophene-2-carboxylate
C17H13NO2S (295.06669580000005)
methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
(1-(TERT-BUTOXYCARBONYL)-5-CHLORO-1H-INDOL-2-YL)BORONIC ACID
methyl 4-hydroxy-6-phenoxyisoquinoline-3-carboxylate
N-(2-Formylphenyl)-4-chloro-benzenesulfonamide
C13H10ClNO3S (295.00699000000003)
(R)-2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)-3-METHYLBUTANOIC ACID
N-[3-(TrifluoroMethyl)phenyl]-4-MethoxybenzaMide, 97\\%
N-(2,6-dichlorophenyl)-4-methoxybenzamide
C14H11Cl2NO2 (295.01668060000003)
ethyl 3-(2-chloro-4-nitrophenylaMino)-2-cyanoacrylate
2,4-dichloro-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
C13H11Cl2N3O (295.02791360000003)
3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
4-CHLORO-5-FORMYL-3,6,6-TRIMETHYL-6,7-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
2-AMINO-4-(3-CHLORO-PHENYL)-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
3,6-Diamino-10-methylacridinium chloride hydrochloride
4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
N-(2-Carboxy-6-methylphenyl)-N-(methoxyacetyl)-DL-alanine
(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
aspulvinone E(1-)
An organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
3-[3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]propanoyl]benzoate
7-[(2S)-2-amino-2-carboxylatoethyl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylate
8-[(2S)-2-amino-2-carboxylatoethyl]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylate
5-(4-methylphenyl)-2-spiro[1H-indole-3,2-3H-1,3,4-thiadiazole]one
C16H13N3OS (295.07792880000005)
6-Chloro-7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
5-Cyclopropyl-4-[(3,4-dichlorophenyl)hydrazinylidene]-3-pyrazolamine
C12H11Cl2N5 (295.03914660000004)
4-Tert-butyl-2-[(5-nitro-2-pyridinyl)thio]thiazole
N-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide
C12H10ClN3O2S (295.01822300000003)
5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
C10H9N5O2S2 (295.01976540000004)
Acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester
N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolesulfonamide
2,4-Dimethyl-6-phenyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
C16H13N3OS (295.07792880000005)
1-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2-methoxyethyl)thiourea
C13H17N3O3S (295.09905720000006)
2-[[4-Amino-2-(ethylamino)-5-thiazolyl]-phenylmethylidene]propanedinitrile
C15H13N5S (295.08916180000006)
2-Phenyl-5-(trifluoromethyl)-1,2-benzothiazol-3-one
C14H8F3NOS (295.02786740000005)
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
3-[(2-Fluorophenyl)methyl]-7-(1-imidazolyl)triazolo[4,5-d]pyrimidine
C14H10FN7 (295.09816720000003)
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
1-(2,6-Dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
C13H11Cl2N3O (295.02791360000003)
2-[5-(3,4-Dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile
C16H13N3OS (295.07792880000005)
2-(2-methoxyethylthio)-N-(1,3,4-thiadiazol-2-yl)benzamide
2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide
5-(2-Furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile
2-Methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
C14H17NO4S (295.08782420000006)
4-(3,4-dimethoxybenzylidene)-2-(methylthio)-1,3-thiazol-5(4H)-one
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
7-Chloro-N-[(E)-(2-methylphenyl)methylideneamino]quinolin-4-amine
(E)-3-(2-Furoylmethylene)-1-para-tolyl-2,5-pyrrolidinedione
5-Aminoimidazole ribonucleotide
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N-acetylsulfamethoxazole
A sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside
isoaspulvinone E(1-)
An organic anion that is the conjugate base of isoaspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole
A 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group.
2'-O,4'-C-Methyleneguanosine
C11H13N5O5 (295.09166480000005)
2′-O,4′-C-Methyleneguanosine (LNA-G) is a reverse guanine analogue, where LNA (locked nucleic acid) is a nucleic acid analogue. LNA modification can be used in a variety of applications such as effective binding affinity to complementary sequences and greater nuclease resistance than natural nucleotides, offering great potential for applications in disease diagnosis and research. LNA-G is also available via KOD DNA polymerase, which allows the integration of LNA-G nucleotides into the DNA strand[1][2].
5-HT2B antagonist-1
C11H14BrN5 (295.04325040000003)
5-HT2B antagonist-1 is an orally active 5-HT2B receptor antagonist with an IC50 value of 33.4 nM. 5-HT2B antagonist-1 can be used in studies of diseases characterized by 5-HT2B receptor signaling, such as hepatocellular carcinoma, cardiovascular disease or gastrointestinal disease[1][2].
2-phenyl-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile
13,14-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,15-diol
5-hydroxy-2-methyl-1,11-dioxa-8-azatetraphene-4,10-dione
(2r)-2-phenyl-2-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile
{[(5z)-5'-bromo-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(ethyl)amine
C12H14BrN3O (295.03201740000003)
1-(4-hydroxybenzoyl)-7-hydroxy-6-methoxyiso-quinoline
{"Ingredient_id": "HBIN001490","Ingredient_name": "1-(4-hydroxybenzoyl)-7-hydroxy-6-methoxyiso-quinoline","Alias": "NA","Ingredient_formula": "C17H13NO4","Ingredient_Smile": "COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-2-phenyl-2-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
14-hydroxy-10,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
methyl 4-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)butanoate
(2r)-2-{[(1r)-1-carboxy-2-phenylethyl]amino}pentanedioic acid
2-{[(5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}ethanesulfonic acid
C10H17NO7S (295.07256920000003)
(9r)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-11,12-dione
3-({[(2-amino-1-hydroxypropylidene)amino]methyl}-c-hydroxycarbonimidoyl)-2-methanesulfonylpropanoic acid
C9H17N3O6S (295.08380220000004)
(2s,8r)-2,5,10,11-tetrahydroxy-8-methoxy-2,6,7,8-tetrahydro-1h-4-benzazecin-3-one
(2r)-3-[({[(2s)-2-amino-1-hydroxypropylidene]amino}methyl)-c-hydroxycarbonimidoyl]-2-methanesulfonylpropanoic acid
C9H17N3O6S (295.08380220000004)
10-hydroxy-14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
(2s,3s,4r,5s,6s)-6-(hydroxymethyl)-4-(indol-1-yloxy)oxane-2,3,5-triol
13-(hydroxymethyl)-15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,14-diol
(2s)-2-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butanedioic acid
13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,14-diol
6,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,14-diol
({5'-bromo-4-methoxy-1h,1'h-[2,2'-bipyrrol]-5-yl}methylidene)(ethyl)amine
C12H14BrN3O (295.03201740000003)
(2r)-2-phenyl-2-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-1-methylquinolin-4-one
2-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butanedioic acid
14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,13-diol
6,14-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,15-diol
2-methyl-8h-1,11-dioxa-8-azatetraphene-4,5,10-trione
methyl 3-(4,6-dihydroxy-5-methoxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate
2,5,10,11-tetrahydroxy-8-methoxy-2,6,7,8-tetrahydro-1h-4-benzazecin-3-one
(2s)-2-phenyl-2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
{[(5z)-3'-bromo-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(ethyl)amine
C12H14BrN3O (295.03201740000003)
2-(7-hydroxy-2h-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
({3'-bromo-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene}methyl)(ethyl)amine
C12H14BrN3O (295.03201740000003)
8-hydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1(10),2(7),4,8,13(18),14,16-heptaene-6,12-dione
14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-4,11-diol
14,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11-diol
2-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}ethanesulfonic acid
C10H17NO7S (295.07256920000003)
2-[(1-carboxy-2-phenylethyl)amino]pentanedioic acid
4,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-11,14-diol
(2s)-2-phenyl-2-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-11,12-dione
({5'-bromo-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene}methyl)(ethyl)amine
C12H14BrN3O (295.03201740000003)