Exact Mass: 228.0546326
Exact Mass Matches: 228.0546326
Found 500 metabolites which its exact mass value is equals to given mass value 228.0546326,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one
5,6-Dehydrokawain is an aromatic ether and a member of 2-pyranones. Desmethoxyyangonin is a natural product found in Alpinia blepharocalyx, Alpinia rafflesiana, and other organisms with data available. See also: Piper methysticum root (part of). 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in beverages. 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damag Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B. Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.
Resveratrol
Resveratrol is a stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4 by hydroxy groups. It has a role as a phytoalexin, an antioxidant, a glioma-associated oncogene inhibitor and a geroprotector. It is a stilbenol, a polyphenol and a member of resorcinols. Resveratrol (3,5,4-trihydroxystilbene) is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as cis-(Z) and trans-(E) isomers. The trans- form can undergo isomerisation to the cis- form when heated or exposed to ultraviolet irradiation. In a 2004 issue of Science, Dr. Sinclair of Harvard University said resveratrol is not an easy molecule to protect from oxidation. It has been claimed that it is readily degraded by exposure to light, heat, and oxygen. However, studies find that Trans-resveratrol undergoes negligible oxidation in normal atmosphere at room temperature. Resveratrol is a plant polyphenol found in high concentrations in red grapes that has been proposed as a treatment for hyperlipidemia and to prevent fatty liver, diabetes, atherosclerosis and aging. Resveratrol use has not been associated with serum enzyme elevations or with clinically apparent liver injury. Resveratrol is a natural product found in Vitis rotundifolia, Vitis amurensis, and other organisms with data available. Resveratrol is a phytoalexin derived from grapes and other food products with antioxidant and potential chemopreventive activities. Resveratrol induces phase II drug-metabolizing enzymes (anti-initiation activity); mediates anti-inflammatory effects and inhibits cyclooxygenase and hydroperoxidase functions (anti-promotion activity); and induces promyelocytic leukemia cell differentiation (anti-progression activity), thereby exhibiting activities in three major steps of carcinogenesis. This agent may inhibit TNF-induced activation of NF-kappaB in a dose- and time-dependent manner. (NCI05) Resveratrol is a metabolite found in or produced by Saccharomyces cerevisiae. A stilbene and non-flavonoid polyphenol produced by various plants including grapes and blueberries. It has anti-oxidant, anti-inflammatory, cardioprotective, anti-mutagenic, and anti-carcinogenic properties. It also inhibits platelet aggregation and the activity of several DNA HELICASES in vitro. Resveratrol is a polyphenolic phytoalexin. It is also classified as a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. The levels of resveratrol found in food vary greatly. Red wine contains between 0.2 and 5.8 mg/L depending on the grape variety, while white wine has much less. The reason for this difference is that red wine is fermented with grape skins, allowing the wine to absorb the resveratrol, whereas white wine is fermented after the skin has been removed. Resveratrol is also sold as a nutritional supplement. A number of beneficial health effects, such as anti-cancer, antiviral, neuroprotective, anti-aging, anti-inflammatory, and life-prolonging effects have been reported for resveratrol. The fact that resveratrol is found in the skin of red grapes and as a constituent of red wine may explain the "French paradox". This paradox is based on the observation that the incidence of coronary heart disease is relatively low in southern France despite high dietary intake of saturated fats. Resveratrol is thought to achieve these cardioprotective effects by a number of different routes: (1) inhibition of vascular cell adhesion molecule expression; (2) inhibition of vascular smooth muscle cell proliferation; (3) stimulation of endothelial nitric oxide synthase (eNOS) activity; (4) inhibition of platelet aggregation; and (5) inhibition of LDL peroxidation (PMID: 17875315, 14676260, 9678525). Resveratrol is a biomarker for the consumption of grapes and raisins. A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4 by hydroxy groups. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9606 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4396; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9641; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4375; ORIGINAL_PRECURSOR_SCAN_NO 4373 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9614; ORIGINAL_PRECURSOR_SCAN_NO 9611 CONFIDENCE standard compound; INTERNAL_ID 1110; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4398; ORIGINAL_PRECURSOR_SCAN_NO 4397 IPB_RECORD: 1781; CONFIDENCE confident structure IPB_RECORD: 321; CONFIDENCE confident structure Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7].
Deoxyuridine
Deoxyuridine, also known as dU, belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleosides. Pyrimidine 2-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. It is similar in chemical structure to uridine, but without the 2-hydroxyl group. Deoxyuridine exists in all living organisms, ranging from bacteria to humans. Within humans, deoxyuridine participates in a number of enzymatic reactions. In particular, deoxyuridine can be biosynthesized from deoxycytidine through its interaction with the enzyme cytidine deaminase. In addition, deoxyuridine can be converted into uracil and deoxyribose 1-phosphate through its interaction with the enzyme thymidine phosphorylase. Deoxyuridine is considered to be an antimetabolite that is converted into deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemia due to vitamin B12 and folate deficiencies. In humans, deoxyuridine is involved in the metabolic disorder called UMP synthase deficiency (orotic aciduria). Outside of the human body, deoxyuridine has been detected, but not quantified in, several different foods, such as lichee, highbush blueberries, agaves, macadamia nut (M. tetraphylla), and red bell peppers. This could make deoxyuridine a potential biomarker for the consumption of these foods. 2-Deoxyuridine is a naturally occurring nucleoside. It is similar in chemical structure to uridine, but without the 2-hydroxyl group. It is considered to be an antimetabolite that is converted to deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemia due to vitamin B12 and folate deficiencies. [HMDB]. Deoxyuridine is found in many foods, some of which are garden tomato (variety), hickory nut, banana, and hazelnut. Deoxyuridine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=951-78-0 (retrieved 2024-07-01) (CAS RN: 951-78-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine.
MCPB
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2710 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5034; ORIGINAL_PRECURSOR_SCAN_NO 5030 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4996; ORIGINAL_PRECURSOR_SCAN_NO 4991 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5038; ORIGINAL_PRECURSOR_SCAN_NO 5036 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5019; ORIGINAL_PRECURSOR_SCAN_NO 5018 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5021; ORIGINAL_PRECURSOR_SCAN_NO 5016 CONFIDENCE standard compound; INTERNAL_ID 578; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5033; ORIGINAL_PRECURSOR_SCAN_NO 5031
Dosanex
C10H13ClN2O2 (228.06655080000002)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3204
Trioxsalen
Trioxsalen, also known as trimethylpsoralen or trisoralen, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Trioxsalen is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trioxsalen can be found in wild celery, which makes trioxsalen a potential biomarker for the consumption of this food product. Trioxsalen can be found primarily in blood and urine. Trioxsalen (trimethylpsoralen, Trioxysalen or Trisoralen) is a furanocoumarin and a psoralen derivative. It is obtained from several plants, mainly Psoralea corylifolia. Like other psoralens it causes photosensitization of the skin. It is administered either topically or orally in conjunction with UV-A (the least damaging form of ultraviolet light) for phototherapy treatment of vitiligo and hand eczema. After photoactivation it creates interstrand cross-links in DNA, which can cause programmed cell death unless repaired by cellular mechanisms. In research it can be conjugated to dyes for confocal microscopy and used to visualize sites of DNA damage. The compound is also being explored for development of antisense oligonucleotides that can be cross-linked specifically to a mutant mRNA sequence without affecting normal transcripts differing at even a single base pair . Trioxsalen ispharmacologically inactive but when exposed to ultraviolet radiation or sunlight it is converted to its active metabolite to produce a beneficial reaction affecting the diseased tissue (DrugBank). Trioxsalen, also known as trimethylpsoralen, trioxysalen or trisoralen, belongs to the group of drugs called psoralens. It is also known as a furanocoumarin (PMID: 3196695). Trioxsalen is a pigmenting photosensitizing agent used to treat vitiligo, a condition characterized by loss of skin color (PMID: 4828534, 4441118). It is administered in conjunction with ultraviolet light A (UVA) to increase the skins sensitivity to sunlight. Trioxsalen functions through inducing interstrand crosslinks in DNA. It has been reported that use of trioxsalen increases the chance of skin cancer and cataracts. Trioxsalen is only found in individuals that have used or taken this drug. D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AD - Psoralens for topical use D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents Trioxsalen (Trisoralen), a psoralen derivative, is a photochemical DNA crosslinker. Trioxsalen only works after photoactivation with near ultraviolet light. Trioxsalen is a photosensitizer that can be used for the research of vitiligo and hand eczema. Trioxsalen is used for visualization of genomic interstrand cross-links localized by laser photoactivation Trimethylpsoralen. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3902-71-4 (retrieved 2024-09-04) (CAS RN: 3902-71-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
oxybenzone
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics Same as: D05309 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4375; ORIGINAL_PRECURSOR_SCAN_NO 4373 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4396; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4398; ORIGINAL_PRECURSOR_SCAN_NO 4397 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9606 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9614; ORIGINAL_PRECURSOR_SCAN_NO 9611 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9643; ORIGINAL_PRECURSOR_SCAN_NO 9641 CONFIDENCE standard compound; INTERNAL_ID 754; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641 CONFIDENCE standard compound; INTERNAL_ID 2758 CONFIDENCE standard compound; INTERNAL_ID 8629 CONFIDENCE standard compound; INTERNAL_ID 8143 CONFIDENCE standard compound; EAWAG_UCHEM_ID 230
Xanthyletin
Xanthyletin is a member of the class of compounds known as linear pyranocoumarins. Linear pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Xanthyletin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xanthyletin can be found in lemon, lime, mandarin orange (clementine, tangerine), and sweet orange, which makes xanthyletin a potential biomarker for the consumption of these food products.
Mevalonic acid-5P
Mevalonic acid-5p, also known as (R)-5-phosphomevalonate or mevalonate-5p, is a member of the class of compounds known as monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Thus, mevalonic acid-5p is considered to be a fatty acid lipid molecule. Mevalonic acid-5p is soluble (in water) and a moderately acidic compound (based on its pKa). Mevalonic acid-5p can be found in a number of food items such as rowanberry, common oregano, caraway, and cherry tomato, which makes mevalonic acid-5p a potential biomarker for the consumption of these food products. Mevalonic acid-5p can be found primarily throughout most human tissues. Mevalonic acid-5p exists in all eukaryotes, ranging from yeast to humans. In humans, mevalonic acid-5p is involved in several metabolic pathways, some of which include pamidronate action pathway, rosuvastatin action pathway, pravastatin action pathway, and lovastatin action pathway. Mevalonic acid-5p is also involved in several metabolic disorders, some of which include hypercholesterolemia, lysosomal acid lipase deficiency (wolman disease), hyper-igd syndrome, and mevalonic aciduria. Mevalonic acid-5P (CAS: 1189-94-2), also known as 5-phosphomevalonic acid, belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Within humans, mevalonic acid-5P participates in many enzymatic reactions. In particular, mevalonic acid-5P can be biosynthesized from mevalonate; which is mediated by the enzyme mevalonate kinase. In addition, mevalonic acid-5P can be converted into mevalonic acid-5-pyrophosphate through its interaction with the enzyme phosphomevalonate kinase. In humans, mevalonic acid-5P is involved in the mevalonate pathway. Outside of the human body, mevalonic acid-5P has been detected, but not quantified in, several different foods, such as oriental wheat, devilfish, pepper (spice), redcurrants, and star fruits. This could make mevalonic acid-5P a potential biomarker for the consumption of these foods.
L-2-Aminoethyl seryl phosphate
L-2-Aminoethyl seryl phosphate is found in animal foods. L-2-Aminoethyl seryl phosphate is isolated from numerous animals including chicken, fish and reptile Isolated from numerous animals including chicken, fish and reptiles. L-2-Aminoethyl seryl phosphate is found in fishes and animal foods.
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Euxanthone
Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple. Euxanthone is found in fruits. Euxanthone occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango
Benzyl 4-hydroxybenzoate
CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9606 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9641; ORIGINAL_PRECURSOR_SCAN_NO 9638 DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 780; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4398; ORIGINAL_PRECURSOR_SCAN_NO 4397 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4338; ORIGINAL_PRECURSOR_SCAN_NO 4336 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4375; ORIGINAL_PRECURSOR_SCAN_NO 4373 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9614; ORIGINAL_PRECURSOR_SCAN_NO 9611 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 780; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4357; ORIGINAL_PRECURSOR_SCAN_NO 4355 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Same as: D07518
4,4,6-Trimethylangelicin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
4-(Pyridine-4-carbonyl)pyridin-1-ium-3-carboxamide
(Z)-Resveratrol
Cis-resveratrol is the cis-stereoisomer of resveratrol. (Z)-resveratrol is a natural product found in Vitis rupestris, Vaccinium macrocarpon, and other organisms with data available. A stilbene and non-flavonoid polyphenol produced by various plants including grapes and blueberries. It has anti-oxidant, anti-inflammatory, cardioprotective, anti-mutagenic, and anti-carcinogenic properties. It also inhibits platelet aggregation and the activity of several DNA HELICASES in vitro. Phytoalexin from hypocotyls of germinating peanuts (Arachis hypogaea). (Z)-Resveratrol is found in peanut, nuts, and common grape. (Z)-Resveratrol is found in common grape. Phytoalexin from hypocotyls of germinating peanuts (Arachis hypogaea). D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents > D000975 - Antioxidants The cis-stereoisomer of resveratrol. D004791 - Enzyme Inhibitors cis-Resveratrol exhibits signifcant antiviral activity. cis-Resveratrol inhibits enteroviruses with IC50s of 12.2 μM and 37.6 μM for coxsackievirus B3 (CVB3) and enterovirus 71 (EV71), respectively[1].
Seselin
Seselin is a member of coumarins. It has a role as a metabolite. Seselin is a natural product found in Haplophyllum cappadocicum, Haplophyllum dshungaricum, and other organisms with data available. Constituent of Carum roxburghianum (Bishops weed). Seselin is found in many foods, some of which are sweet orange, herbs and spices, anise, and wild celery. Seselin is found in anise. Seselin is a constituent of Carum roxburghianum (Bishops weed) A natural product found in Citropsis articulata.
Oxybenzone
Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone. It forms colorless crystals that are readily soluble in most organic solvents. It is used as an ingredient in sunscreen and other cosmetics because it absorbs UV-A ultraviolet rays. D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics Same as: D05309
Urolithin A
Urolithin A is a secondary metabolite of ellagic acid which may be glucuronidated by liver enzymes during phase II metabolism. A polyphenol metabolite detected in biological fluids [PhenolExplorer] Urolithin A, a gut-microbial metabolite of ellagic acid, exerts anti-inflammatory, antiproliferative, and antioxidant properties. Urolithin A induces autophagy and apoptosis, suppresses cell cycle progression, and inhibits DNA synthesis[1][2]. Urolithin A, a gut-microbial metabolite of ellagic acid, exerts anti-inflammatory, antiproliferative, and antioxidant properties. Urolithin A induces autophagy and apoptosis, suppresses cell cycle progression, and inhibits DNA synthesis[1][2].
Benzyl salicylate
Benzyl salicylate is found in cloves. Benzyl salicylate is isolated from essential oils e.g. Dianthus caryophyllus, Populus, Primula species Fixative in perfumes and flavourings Benzyl salicylate is a salicylic acid benzyl ester, a chemical compound most frequently used in cosmetics. It appears as an almost colourless liquid and is rather faint or odorless in nature Isolated from essential oils e.g. Dianthus caryophyllus, Populus, Primula subspecies Fixative in perfumes and flavourings D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber. Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber.
1,5-Dihydroxyxanthone
1,5-Dihydroxyxanthone is found in fruits. 1,5-Dihydroxyxanthone is a constituent of Garcinia species, Mammea americana (mamey) Constituent of Garcinia subspecies, Mammea americana (mamey). 1,5-Dihydroxyxanthone is found in fruits and mammee apple.
Pemirolast
Pemirolast potassium is a slightly yellow powder that is soluble in water. It is a mast cell stabilizer that acts as an antiallergic agent. As an ophthalmic aqueous sterile solution, pemirolast is used for the prevention of itching of the eyes caused by allergies such as hay fever, and allergic conjunctivitis. Pemirolast is potentially useful for prophylaxis of pulmonary hypersensitivity reactions to drugs such as paclitaxel. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
2,4-Difurfurylfuran
2,4-Difurfurylfuran is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
o-Tolyl salicylate
o-Tolyl salicylate is a flavouring ingredient. Flavouring ingredient
1-((2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
C9H12N2O5 (228.07461819999997)
1-[(2R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
C9H12N2O5 (228.07461819999997)
1,3-Benzenediol, 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-
Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7].
Aminoethylcysteine ketimine decarboxylated dimer
C9H12N2OS2 (228.03910219999997)
Dioxolane-THYMINE
C9H12N2O5 (228.07461819999997)
Resveratrol
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3241 C26170 - Protective Agent > C275 - Antioxidant D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7]. Resveratrol (trans-Resveratrol; SRT501), a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties. Resveratrol (SRT 501) has a wide spectrum of targets including mTOR, JAK, β-amyloid, Adenylyl cyclase, IKKβ, DNA polymerase. Resveratrol also is a specific SIRT1 activator[1][2][3][4]. Resveratrol is a potent pregnane X receptor (PXR) inhibitor[5]. Resveratrol is an Nrf2 activator, ameliorates aging-related progressive renal injury in mice model[6]. Resveratrol increases production of NO in endothelial cells[7].
Desmethoxyyangonin
Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B. Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.
2-thiophen-2-yl-1H-quinazolin-4-one
C12H8N2OS (228.03573179999998)
1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
C9H12N2O5 (228.07461819999997)
Phosphonooxyaceton-diaethylacetal|phosphoric acid mono-(2,2-diethoxy-propyl ester)|Phosphorsaeure-mono-(2,2-diaethoxy-propylester)
2-methylimidazo[1,5-b]isoquinoline-1,3,5(2H)-trione
2-Methyl-9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol|Z-3-chloro-2-(2-hydroxy-4-methyl-5-methoxyphenyl)-prop-2-en-1-ol
((2S)-4-butyryl-3,5-dioxo-tetrahydro-[2]furyl)-acetic acid|((2S)-4-Butyryl-3,5-dioxo-tetrahydro-[2]furyl)-essigsaeure
Euxanthone
Euxanthone is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. It has a role as a plant metabolite and a metabolite. It is a member of xanthones and a member of phenols. Euxanthone is a natural product found in Garcinia oblongifolia, Hypericum scabrum, and other organisms with data available. A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple. Euxanthone is found in fruits. Euxanthone occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango
Deoxyuridine
C9H12N2O5 (228.07461819999997)
2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine.
2-deoxyuridine
C9H12N2O5 (228.07461819999997)
A pyrimidine 2-deoxyribonucleoside having uracil as the nucleobase. D009676 - Noxae > D000963 - Antimetabolites COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine.
cis-resveratrol
Annotation level-1 cis-Resveratrol exhibits signifcant antiviral activity. cis-Resveratrol inhibits enteroviruses with IC50s of 12.2 μM and 37.6 μM for coxsackievirus B3 (CVB3) and enterovirus 71 (EV71), respectively[1].
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one [IIN-based: Match]
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one [IIN-based on: CCMSLIB00000845942]
urolithin A
Urolithin A, a gut-microbial metabolite of ellagic acid, exerts anti-inflammatory, antiproliferative, and antioxidant properties. Urolithin A induces autophagy and apoptosis, suppresses cell cycle progression, and inhibits DNA synthesis[1][2]. Urolithin A, a gut-microbial metabolite of ellagic acid, exerts anti-inflammatory, antiproliferative, and antioxidant properties. Urolithin A induces autophagy and apoptosis, suppresses cell cycle progression, and inhibits DNA synthesis[1][2].
p-Tolyl salicylate
CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4375; ORIGINAL_PRECURSOR_SCAN_NO 4373 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4396; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4398; ORIGINAL_PRECURSOR_SCAN_NO 4397 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9606 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9614; ORIGINAL_PRECURSOR_SCAN_NO 9611 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9641; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 1261; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641
pemirolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
Zebularine
C9H12N2O5 (228.07461819999997)
C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent Zebularine (NSC309132; 4-Deoxyuridine) is a DNA methyltransferase inhibitor. Zebularine also inhibits cytidine deaminase with a Ki of 0.95 μM.
5-Chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine
C13H9ClN2 (228.04542239999998)
2-((tert-Butoxycarbonyl)amino)oxazole-5-carboxylic acid
C9H12N2O5 (228.07461819999997)
4-dimethylamino-1-naphthyl isothiocyanate
C13H12N2S (228.07211519999998)
Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-phenyl-
C12H8N2OS (228.03573179999998)
methyl 4-(methylsulfonylmethyl)benzoate
C10H12O4S (228.04562719999998)
4-Chloro-5-nitro-6-(1-pyrrolidinyl)pyrimidine
C8H9ClN4O2 (228.04140040000001)
2-Carbethoxy-3-(2-thienyl)propionic acid
C10H12O4S (228.04562719999998)
2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
C13H12N2S (228.07211519999998)
3-naphthalen-1-yl-3-oxo-propionic acid methyl ester
4-(2-(Methacryloyloxy)ethoxy)-4-oxobut-2-enoic acid
7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
C10H13ClN2O2 (228.06655080000002)
tert-Butyl (2-chloropyridin-4-yl)carbamate
C10H13ClN2O2 (228.06655080000002)
Ethyl 4-(methylsulfonyl)benzoate
C10H12O4S (228.04562719999998)
PIPERAZIN-1-YL(PYRAZIN-2-YL)METHANONE HYDROCHLORIDE
2-(4-CHLORO-2-METHYLPHENOXY)PROPANOHYDRAZIDE
C10H13ClN2O2 (228.06655080000002)
ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
2,2-DIFLUORO-3-OXO-3-PHENYL-PROPIONIC ACID ETHYL ESTER
5-amino-2-phenyl-3H-triazolo[4,5-d]pyrimidin-7-one
4-Methyl-2-morpholin-4-yl-thiazole-5-carboxylic acid
N-(2-cyanophenyl)thiophene-2-carboxamide
C12H8N2OS (228.03573179999998)
4-((4-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMINO)BENZONITRILE
(2-(4-fluorophenyl)oxazol-4-yl)methanamine HCl
C10H10ClFN2O (228.04656519999997)
1-METHANESULFINYL-4-METHYLSULFANYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIDAZINE
C9H12N2OS2 (228.03910219999997)
2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline
2-(hydroxyimino)-1-((4-methylphenyl)sulfonyl)eth-2-ylamine
METHYL 3-(METHYLSULFONYL)PHENYLACETATE
C10H12O4S (228.04562719999998)
(2-BUTOXY-5-CHLOROPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
4-Butoxy-3-chlorophenylboronic acid
C10H14BClO3 (228.07244740000002)
2-(2-HYDROXYETHYLAMINO)-N-(2-CHLOROPHENYL)ACETAMIDE
C10H13ClN2O2 (228.06655080000002)
2-(2-FLUORO-PHENYL)-BENZOOXAZOL-5-YLAMINE
C13H9FN2O (228.06988759999996)
Anpirtoline
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
5-Chloro-2-phenyl-imidazo[1,2-a]pyridine
C13H9ClN2 (228.04542239999998)
(5-(TERT-BUTOXYCARBONYL)THIOPHEN-2-YL)BORONIC ACID
CARBONIC ACID 4-CHLOROMETHYL-3-METHYL-PHENYL ESTER ETHYL ESTER
2-phenylthieno[2,3-d]pyrimidin-4-ol
C12H8N2OS (228.03573179999998)
DIMETHYL 2-(THIOPHEN-2-YLMETHYL)MALONATE
C10H12O4S (228.04562719999998)
Dichlorobis(trimethylsilyl)methane
C7H18Cl2Si2 (228.03240480000002)
2-(3,4-dimethoxyphenylthio)acetic acid
C10H12O4S (228.04562719999998)
6-chloro-2-phenylimidazo[1,2-a]pyridine
C13H9ClN2 (228.04542239999998)
2-(4-Chloro-3,5-dimethylphenoxy)acetohydrazide
C10H13ClN2O2 (228.06655080000002)
POTASSIUM ((BENZYLOXY)METHYL)TRIFLUOROBORATE
C8H9BF3KO (228.03355899999997)
3-[4-(METHYLSULFONYL)PHENYL]PROPANOIC ACID
C10H12O4S (228.04562719999998)
5-amino-4-cyano-1-phenyl-1H-pyrazole-3-carboxylic acid
ETHYL 4-METHYL-2-(METHYLTHIO)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
potassium,trifluoro-[2-(2-hydroxyethyl)phenyl]boranuide
C8H9BF3KO (228.03355899999997)
potassium,trifluoro-[4-(2-hydroxyethyl)phenyl]boranuide
C8H9BF3KO (228.03355899999997)
5-Phenylthieno[2,3-d]pyrimidin-4(3H)-one
C12H8N2OS (228.03573179999998)
Chloro(dimethyl)(3-phenoxypropyl)silane
C11H17ClOSi (228.07371419999998)
1,3-Bis(chlorodimethylsilyl)propane
C7H18Cl2Si2 (228.03240480000002)
1-(β-D-2-DEOXYRIBOFURANOSYL)-3-NITROPYRROLE
C9H12N2O5 (228.07461819999997)
4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
C13H12N2S (228.07211519999998)
Trimethyl[(phenylsulfonyl)methyl]silane
C10H16O2SSi (228.06402359999998)
potassium (4-methoxy-2-methylphenyl)trifluoroborate
C8H9BF3KO (228.03355899999997)
1-methylpiperazin-2-one trifluoroacetate
C7H11F3N2O3 (228.07217319999998)
(3-CHLORO-5-ISOBUTOXYPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
3-Butoxy-2-chlorophenylboronic acid
C10H14BClO3 (228.07244740000002)
6-(Difluoromethoxy)-1H-indazole-3-carboxylic acid
C9H6F2N2O3 (228.03464699999998)
4-[(Dimethylamino)iminomethyl]benzoic acid monohydrochloride
C10H13ClN2O2 (228.06655080000002)
3-(4-Chlorophenyl)-imidazo[1,2-a]pyridine
C13H9ClN2 (228.04542239999998)
7-chloro-2-phenyl-1H-pyrrolo[3,2-b]pyridine
C13H9ClN2 (228.04542239999998)
6-(aminomethyl)-4-methyl-1,4-benzoxazin-3-one,hydrochloride
C10H13ClN2O2 (228.06655080000002)
3-oxopropyl 4-methylbenzenesulfonate
C10H12O4S (228.04562719999998)
3,3,3-trifluoro-(2-tetrahydrothienylmethyl)propionic acid
6-AMINO-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
C10H13ClN2O2 (228.06655080000002)
7-Amino-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
C10H13ClN2O2 (228.06655080000002)
N-(2-HYDROXYETHYL)AMMONIUM BENZO-THIAZOLE-2-THIOLATE
C9H12N2OS2 (228.03910219999997)
7-Difluoromethyl-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidine-2-carboxylic acid
C8H6F2N4O2 (228.04587999999998)
5-(Difluoromethoxy)-1H-indazole-3-carboxylic acid
C9H6F2N2O3 (228.03464699999998)
Methyl 3-Methyl-4-(methylsulfonyl)benzoate
C10H12O4S (228.04562719999998)
Carbamic acid, N-(3-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester
C10H13ClN2O2 (228.06655080000002)
4-Nitro-L-phenylalanine monohydrate
C9H12N2O5 (228.07461819999997)
3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
3'-Deoxyuridine
C9H12N2O5 (228.07461819999997)
3'-Deoxyuridine is a potential anticancer and antiviral agent. 3'-deoxyuridine inhibits bovine diarrhoea virus (BVDV) production.
(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one
C9H12N2OS2 (228.03910219999997)
4-AMINO-N-METHOXY-N-METHYL-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXAMIDE
5-(4-(Trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-amine
[4-(Ethylsulfonyl)phenyl]acetic acid
C10H12O4S (228.04562719999998)
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
3-Oxetanyl 4-methylbenzenesulfonate
C10H12O4S (228.04562719999998)
Acetic acid,2-(4-chloro-2-methylphenoxy)-, ethyl ester
5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-
tert-Butyl (6-chloropyridin-2-yl)carbamate
C10H13ClN2O2 (228.06655080000002)
Cyclohexanebutanoicacid, nickel(2+) salt (2:1)
C10H18NiO2 (228.06601980000002)
3-(TOLUENE-4-SULFONYL)-PROPIONIC ACID
C10H12O4S (228.04562719999998)
Methyl 2-Methyl-4-(methylsulfonyl)benzoate
C10H12O4S (228.04562719999998)
3-(3-Furyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
5-(3-(Trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-amine
2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonic acid
C10H12O4S (228.04562719999998)
methyl 2-(4-methylphenyl)sulfonylacetate
C10H12O4S (228.04562719999998)
TERT-BUTYL (5-CHLOROPYRIDIN-2-YL)CARBAMATE
C10H13ClN2O2 (228.06655080000002)
TERT-BUTYL (2-CHLOROPYRIDIN-3-YL)CARBAMATE
C10H13ClN2O2 (228.06655080000002)
TERT-BUTYL (4-CHLOROPYRIDIN-3-YL)CARBAMATE
C10H13ClN2O2 (228.06655080000002)
4-(Trifluoromethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
3-(Difluoromethyl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxyl ic acid
C9H6F2N2O3 (228.03464699999998)
METHYL 2-(4-(METHYLSULFONYL)PHENYL)ACETATE
C10H12O4S (228.04562719999998)
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-butyric acid
N-amino-N-[4-(methanesulfonamido)phenyl]methanimidamide
TERT-BUTYL (6-CHLOROPYRIDIN-3-YL)CARBAMATE
C10H13ClN2O2 (228.06655080000002)
(3-Butoxy-5-chlorophenyl)boronic acid
C10H14BClO3 (228.07244740000002)
(5-BUTOXY-2-CHLOROPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
(2-CHLORO-5-ISOBUTOXYPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
(3-Butoxy-4-chlorophenyl)boronic acid
C10H14BClO3 (228.07244740000002)
(4-CHLORO-3-ISOBUTOXYPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
(4-CHLORO-2-ISOBUTOXYPHENYL)BORONIC ACID
C10H14BClO3 (228.07244740000002)
(2-Butoxy-4-chlorophenyl)boronic acid
C10H14BClO3 (228.07244740000002)
6-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-4-ONE
C12H8N2OS (228.03573179999998)
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
C6H8ClF3N4 (228.03895539999996)
6-PHENOXY-3-PYRIDINYL ISOTHIOCYANATE
C12H8N2OS (228.03573179999998)
N-(3-Chlorophenyl)-N2-(2-hydroxyethyl)glycinamide
C10H13ClN2O2 (228.06655080000002)
2-(2-HYDROXYETHYLAMINO)-N-(4-CHLOROPHENYL)ACETAMIDE
C10H13ClN2O2 (228.06655080000002)
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
1-beta-D-Ribofuranosyl-4(1H)-pyrimidinone
C9H12N2O5 (228.07461819999997)
4-Methoxy-2-(methylsulphonyl)acetophenone
C10H12O4S (228.04562719999998)
2-(6-CHLORO-2-PYRIDINYL)-2-PHENYLACETONITRILE
C13H9ClN2 (228.04542239999998)
1-(2,2,2-TRIFLUOROETHYL)-3-(TRIFLUOROMETHYL)BENZENE
2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride
2-(2-chloro-5-methylphenoxy)propanehydrazide
C10H13ClN2O2 (228.06655080000002)
3-PHENYLMETHANESULFONYL-PROPIONIC ACID
C10H12O4S (228.04562719999998)
N-(2-Chloro-3-hydroxypyridin-4-yl)pivalamide
C10H13ClN2O2 (228.06655080000002)
Methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate hydrochloride
C10H13ClN2O2 (228.06655080000002)
4-(2-aminophenoxy)-2-fluorobenzonitrile
C13H9FN2O (228.06988759999996)
3-amino-5-methoxy-3,4-dihydro-1H-quinolin-2-one,hydrochloride
C10H13ClN2O2 (228.06655080000002)
5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
C13H9ClN2 (228.04542239999998)
Potassium (4-ethoxyphenyl)trifluoroborate
C8H9BF3KO (228.03355899999997)
2-Propanone,3-(1H-benzimidazol-2-yl)-1,1,1-trifluoro-
2-(4-Chlorophenyl)-2-(pyridin-2-yl)acetonitrile
C13H9ClN2 (228.04542239999998)
5-Pyrimidineaceticacid, 3,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester
4-Methoxy-2-morpholin-4-yl-thiazole-5-carbaldehyde
1-[1-(methylsulfonyl)-3-piperidinyl]methanamine(SALTDATA: HCl)
N-PIPERIDIN-4-YLMETHYL-METHANESULFONAMIDE HYDROCHLORIDE
tert-butyl4-chloropyridin-2-ylcarbamate
C10H13ClN2O2 (228.06655080000002)
Methyl 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylate
2-PHENYLTHIENO[3,2-D]PYRIMIDIN-4-OL
C12H8N2OS (228.03573179999998)
POTASSIUMTRIFLUORO(4-METHOXYBENZYL)BORATE
C8H9BF3KO (228.03355899999997)
POTASSIUM 3-(2-HYDROXYETHYL)PHENYLTRIFLUOROBORATE
C8H9BF3KO (228.03355899999997)
2-Phenyl-2-(2-pyridyl)thioacetamide
C13H12N2S (228.07211519999998)
2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole
C13H12N2S (228.07211519999998)
Carlosic acid
A tetronic acid derivative that is furan-2(5H)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the S enantiomer).
2-(butylthio)-4-oxo-1H-pyrimidine-6-carboxylic acid
3-Methanesulfonyl-benzoic acid ethyl ester
C10H12O4S (228.04562719999998)
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
8-Hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
AIDS-113822
C9H12N2O5 (228.07461819999997)
D009676 - Noxae > D000963 - Antimetabolites COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine. 2'-Deoxyuridine could increase chromosome breakage and results in a decreased thymidylate synthetase activity. A known use of 2'-Deoxyuridine is as a precursor in the synthesis of Edoxudine.
(2E,4Z,7S)-7-ammonio-5-formyl-2-hydroxyocta-2,4-dienedioate
(E,2S)-2-azaniumyl-7-hydroxy-4-[(E)-2-oxidoethenyl]-6,7-dioxohept-4-enoate
(E)-2-hydroxy-3-[(E)-4-methyl-3-oxopent-1-enyl]but-2-enedioic acid
(2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid
(1S,4R)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohex-2-ene-1-carboxylic acid
Tricyclo-decan-9-yl-xanthogenate (racemate)
C11H16OS2 (228.06425259999997)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D006133 - Growth Substances > D006131 - Growth Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester
8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
2(1H)-Pyrimidinone, 1-beta-D-ribofuranosyl-
C9H12N2O5 (228.07461819999997)
(2E,4Z,6S)-6-ammonio-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioate
4-chloro-N-[(Z)-1-hydrazinyl-2-nitroethenyl]aniline
C8H9ClN4O2 (228.04140040000001)
3-Cyano-5,5-dimethoxycarbonyl-N-methylisoxazolidine
C9H12N2O5 (228.07461819999997)
(Z)-3-(dihydroxymethylidene)-7-methyl-2,6-dioxooct-4-enoic acid
2-(2,3,5-Trihydroxy-4-methoxyphenyl)propanoic acid
N,N-Dimethyl-N-(2-(methylsulfonyl)pyrimidin-5-YL)formimidamide
6-Methyl-2-(methylthio)-4-pyrimidinol, TMS derivative
(3R)-3-Hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
(3r)-5-Hydroxy-3-Methyl-3-(Phosphonooxy)pentanoic Acid
Serine phosphoethanolamine
The O-phosphoethanolamine derivative of serine.
2-Ammonio-3-{[(2-ammonioethoxy)phosphinato]oxy}propanoate
L-serine phosphoethanolamine dizwitterion
Zwitterionic form of L-serine phosphoethanolamine having anionic phosphate and carboxy groups and both amino groups protonated; major species at pH 7.3.
(R)-5-Phosphomevalonic acid
A carboxyalkyl phosphate that is mevalonic acid phosphorylated at position 5.
serine phosphoethanolamine dizwitterion
Dizwitterionic form of serine phosphoethanolamine having anionic carboxy and phosphate groups and both amino groups protonated.
Deoxypseudouridine
C9H12N2O5 (228.07461819999997)
Deoxypseudouridine is a nucleoside analog.
4-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
C9H12N2O5 (228.07461819999997)
4-chloro-2-(hepta-1,3,5-triyn-1-yl)-1-methoxybenzene
4-hydroxy-1-[(2s,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
C9H12N2O5 (228.07461819999997)
6-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyran-2-one
5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; 9-oxo
{"Ingredient_id": "HBIN011608","Ingredient_name": "5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; 9-oxo","Alias": "NA","Ingredient_formula": "C13H8O4","Ingredient_Smile": "NA","Ingredient_weight": "228.2","OB_score": "NA","CAS_id": "159539-24-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7670","PubChem_id": "NA","DrugBank_id": "NA"}
(5r,8r)-1,6,9,13-tetraoxadispiro[4.2.4.2]-tetradecane-2,10-dione
{"Ingredient_id": "HBIN011913","Ingredient_name": "(5r,8r)-1,6,9,13-tetraoxadispiro[4.2.4.2]-tetradecane-2,10-dione","Alias": "NA","Ingredient_formula": "C10H12O6","Ingredient_Smile": "C1CC2(COC3(CCC(=O)O3)CO2)OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-9h-pyrido[3,4-b]indole-1-carboxylic acid
1-methyl-4-(methylsulfanyl)-9h-pyrido[3,4-b]indole
C13H12N2S (228.07211519999998)
(1s,3s,4s,7r,10s,11s)-3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-8-one
1-hydroxy-4-methylpyrrolo[3,4-b]quinoline-3,9-dione
2-(1-chloro-3-hydroxyprop-1-en-2-yl)-4-methoxy-5-methylphenol
(1r,11r)-11-(prop-1-en-2-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7-triene-3,9-dione
2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-4,6-diol
2-[(1z)-1-chloro-3-hydroxyprop-1-en-2-yl]-4-methoxy-5-methylphenol
(2s)-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
6-hydroxy-3-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyran-2-one
1-hydroxy-9h-pyrido[3,4-b]indole-3-carboxylic acid
(3r,3as,6ar)-6a-(hydroxymethyl)-dihydro-2h-spiro[furo[3,2-b]furan-3,3'-oxolane]-5,5'-dione
6a-(hydroxymethyl)-dihydro-2h-spiro[furo[3,2-b]furan-3,3'-oxolane]-5,5'-dione
(8r)-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
3,10-dihydroxy-10-(hydroxymethyl)-2,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-8-one
[(2s,4r)-4-butanoyl-3,5-dioxooxolan-2-yl]acetic acid
(3r,3ar,6as)-6a-(hydroxymethyl)-dihydro-2h-spiro[furo[3,2-b]furan-3,3'-oxolane]-5,5'-dione
3-[5-(2-carboxyethyl)-1,4-dioxin-2-yl]propanoic acid
3-(1,3-thiazole-2-carbonyl)-1h-indole
C12H8N2OS (228.03573179999998)