Exact Mass: 290.11139579999997
Exact Mass Matches: 290.11139579999997
Found 500 metabolites which its exact mass value is equals to given mass value 290.11139579999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Epicatechin
Epicatechin is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. Catechin is a tannin peculiar to green and white tea because the black tea oxidation process reduces catechins in black tea. Catechin is a powerful, water soluble polyphenol and antioxidant that is easily oxidized. Several thousand types are available in the plant world. As many as two thousand are known to have a flavon structure and are called flavonoids. Catechin is one of them. Green tea is manufactured from fresh, unfermented tea leaves; the oxidation of catechins is minimal, and hence they are able to serve as antioxidants. Researchers believe that catechin is effective because it easily sticks to proteins, blocking bacteria from adhering to cell walls and disrupting their ability to destroy them. Viruses have hooks on their surfaces and can attach to cell walls. The catechin in green tea prevents viruses from adhering and causing harm. Catechin reacts with toxins created by harmful bacteria (many of which belong to the protein family) and harmful metals such as lead, mercury, chrome, and cadmium. From its NMR espectra, there is a doubt on 2 and 3 atoms configuration. It seems to be that they are in trans position. Epicatechin, also known as (+)-cyanidanol-3 or 2,3-cis-epicatechin, is a member of the class of compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Thus, epicatechin is considered to be a flavonoid lipid molecule. Epicatechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin can be found in cashew nut, which makes epicatechin a potential biomarker for the consumption of this food product. Epicatechin can be found primarily in blood, feces, and urine, as well as throughout most human tissues. Epicatechin is a flavan-3-ol, a type of natural phenol and antioxidant. It is a plant secondary metabolite. It belongs to the group of flavan-3-ols (or simply flavanols), part of the chemical family of flavonoids . (-)-epicatechin is a catechin with (2R,3R)-configuration. It has a role as an antioxidant. It is a polyphenol and a catechin. It is an enantiomer of a (+)-epicatechin. Epicatechin has been used in trials studying the treatment of Pre-diabetes. (-)-Epicatechin is a natural product found in Visnea mocanera, Litsea rotundifolia, and other organisms with data available. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. See also: Crofelemer (monomer of); Bilberry (part of); Cats Claw (part of) ... View More ... A catechin with (2R,3R)-configuration. [Raw Data] CB030_(-)-Epicatechin_pos_20eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_50eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_40eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_10eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_30eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_neg_50eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_30eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_10eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_40eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_20eV_000009.txt Epicatechin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=490-46-0 (retrieved 2024-07-09) (CAS RN: 490-46-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB.
Catechin
Catechin, also known as cyanidanol or catechuic acid, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechin also belongs to the group of compounds known as flavan-3-ols (or simply flavanols), part of the chemical family of flavonoids. Catechin is one of the 4 catechin known diastereoisomers. Two of the isomers are in trans configuration and are called catechin and the other two are in cis configuration and are called epicatechin. The most common catechin isomer is the (+)-catechin. The other stereoisomer is (-)-catechin or ent-catechin. The most common epicatechin isomer is (-)-epicatechin. Catechin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Catechin is a bitter tasting compound and is associated with the bitterness in tea. Catechin is a plant secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Catechin is an antioxidant flavonoid, occurring especially in woody plants as both Catechin and (-)-Catechin (cis) forms. Outside of the human body, Catechin is found, on average, in the highest concentration in foods, such as blackcurrants (Ribes nigrum), evergreen blackberries (Rubus laciniatus), and blackberries (Rubus) and in a lower concentration in dills (Anethum graveolens), hot chocolates, and medlars (Mespilus germanica). Catechin has also been detected, but not quantified in, several different foods, such as rice (Oryza sativa), apple ciders, peanuts (Arachis hypogaea), fruit juices, and red teas. This could make catechin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Catechin. (+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. Cianidanol is a natural product found in Visnea mocanera, Salacia chinensis, and other organisms with data available. Catechin is a metabolite found in or produced by Saccharomyces cerevisiae. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. See also: Gallocatechin (related); Crofelemer (monomer of); Bilberry (part of) ... View More ... Present in red wine. Widespread in plants; found in a variety of foodstuffs especies apricots, broad beans, cherries, chocolate, grapes, nectarines, red wine, rhubarb, strawberries and tea The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. Catechin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=154-23-4 (retrieved 2024-07-12) (CAS RN: 154-23-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
(+)-Epicatechin
(+)-epicatechin is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3, 4, 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin. (+)-Epicatechin is a natural product found in Gambeya perpulchra, Pavetta owariensis, and other organisms with data available. (+)-Epicatechin or ent-Epicatechin is one of the 4 catechin diastereoisomers. ent-Epicatechin is found in many foods, some of which are tea, apple, star fruit, and common buckwheat. A catechin that is flavan carrying five hydroxy substituents at positions 3, 3, 4, 5 and 7 (the 2S,3S-stereoisomer). (+)-Epicatechin is found in apple. (+)-Epicatechin or ent-Epicatechin is one of the 4 catechin diastereoisomers. C26170 - Protective Agent > C275 - Antioxidant Acquisition and generation of the data is financially supported in part by CREST/JST.
5-O-Methylvisamminol
5-O-Methylvisamminol is an oxacycle and an organic heterotricyclic compound. 5-O-Methylvisamminol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and Prionosciadium thapsoides with data available. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1]. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1].
Argininosuccinic acid disodium
C10H18N4O6 (290.12262880000003)
Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the argininosuccinate lyase enzyme can lead to argininosuccinate lyase deficiency, which is an inborn error of metabolism. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (argininosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema. Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the arginosuccinate lyase enzyme can lead to arginosuccinate lyase deficiency. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (arginosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema. [HMDB] KEIO_ID A039; [MS2] KO008844 KEIO_ID A039
Trimethoprim
A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to pyrimethamine. The interference with folic acid metabolism may cause a depression of hematopoiesis. It is potentiated by sulfonamides and the trimethoprim-sulfamethoxazole combination is the form most often used. It is sometimes used alone as an antimalarial. Trimethoprim resistance has been reported. [PubChem] Trimethoprim. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=738-70-5 (retrieved 2024-07-09) (CAS RN: 738-70-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Carbinoxamine
Carbinoxamine, also known as carbinoxamine maleate or clistin, is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Carbinoxamine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Carbinoxamine can be found in barley and garden onion, which makes carbinoxamine a potential biomarker for the consumption of these food products. Carbinoxamine can be found primarily in blood and urine. In humans, carbinoxamine is involved in the carbinoxamine h1-antihistamine action. Carbinoxamine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Carbinoxamine is a drug which is used for symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Carbinoxamine (Clistin, Palgic, Rondec, Rhinopront) is a antihistamine and anticholinergic agent. It was first launched in the United States by the McNeil Corporation under the brand name Clistin. It is now available under the brand name Palgic as 4 mg tablets or 4 mg/5 mL liquid. It is approved by the U.S. Food and Drug Administration (FDA) (specifically at the 4 mg dose/strength) for hay fever (a.k.a. allergic rhinitis, SAR and PAR); vasomotor rhinitis; mild urticaria; angioedema, dermatographism and allergic conjunctivitis. Carbinoxamine is a histamine antagonist, specifically an H1-antagonist. The maleic acid salt of the levorotatory isomer is sold as the prescription drug rotoxamine . Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (DrugBank). Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (T3DB). Carbinoxamine is a first generation antihistamine that competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. The product label for carbinoxamine as an over the counter cough and cold medicine is being modified to state do not use in children under 4 years of age in order to prevent and reduce misuse, as many unapproved carbinoxamine-containing preparations contained inappropriate labeling, which promoted unapproved uses (including management of congestion, cough, the common cold, and the use in children under 2 years of age), which can potentially cause serious health risks. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Isoplumericin
[Raw Data] CBA32_Isoplumericin_pos_30eV_1-6_01_1570.txt [Raw Data] CBA32_Isoplumericin_pos_20eV_1-6_01_1569.txt [Raw Data] CBA32_Isoplumericin_pos_10eV_1-6_01_1545.txt [Raw Data] CBA32_Isoplumericin_pos_50eV_1-6_01_1572.txt [Raw Data] CBA32_Isoplumericin_pos_40eV_1-6_01_1571.txt
N-Malonyltryptophan
Constituent of various plants including Lycopersicon esculentum (tomato), Medicago sativa (alfalfa) and Melilotus albus (white melilot). N-Malonyltryptophan is found in many foods, some of which are herbs and spices, garden tomato, pulses, and opium poppy. N-Malonyltryptophan is found in garden tomato. N-Malonyltryptophan is a constituent of various plants including Lycopersicon esculentum (tomato), Medicago sativa (alfalfa) and Melilotus albus (white melilot).
Leucopelargonidin
Leucopelargonidin (CAS: 520-17-2) is a colourless chemical compound belonging to the family of leucoanthocyanidins. Leucoanthocyanidins are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions. Leucopelargonidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucopelargonidin can be found in a number of food items such as narrowleaf cattail, pepper (C. pubescens), macadamia nut (M. tetraphylla), and abiyuch, which makes leucopelargonidin a potential biomarker for the consumption of these food products (FooDB). Leucopelargonidin can also be found in Albizia lebbeck (East Indian walnut), in the fruit of Anacardium occidentale (cashew), in the fruit of Areca catechu (Areca nut), in the fruit of Hydnocarpus wightiana (Hindi Chaulmoogra), in the rhizome of Rumex hymenosepalus (Arizona dock), in Zea Mays (corn), and in Ziziphus jujuba (Chinese date) (Wikipedia).
N-Succinyl-L,L-2,6-diaminopimelate
C11H18N2O7 (290.11139579999997)
N-Succinyl-L,L-2,6-diaminopimelate is an intermediate in lysine biosynthesis. It is the third to last step in the synthesis of lysine and is converted. from N-Succinyl-2-amino-6-ketopimelate via the enzyme succinyldiaminopimelate transferase (EC 2.6.1.17). It is then converted to L,L-diaminopimelate via the enzyme succinyl-diaminopimelate desuccinylase (EC 3.5.1.18). N-Succinyl-L,L-2,6-diaminopimelate is an intermediate in lysine biosynthesis. It is the third to last step in the synthesis of lysine and is converted
Luteoforol
Constituent of Zea mays (sweet corn) and Sorghum vulgare (sorghum). Luteoforol is found in cereals and cereal products, fats and oils, and corn. Luteoforol is found in cereals and cereal products. Luteoforol is a constituent of Zea mays (sweet corn) and Sorghum vulgare (sorghum).
alpha-Cotonefuran
alpha-Cotonefuran is found in fruits. alpha-Cotonefuran is a constituent of Mespilus germanica (European medlar)
2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran
2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is a member of the class of compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran can be found in pear, which makes 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran a potential biomarker for the consumption of this food product.
Ribalinium
Ribalinium is found in herbs and spices. Ribalinium is an alkaloid from the leaves of Ruta graveolens (rue). Alkaloid from the leaves of Ruta graveolens (rue). Ribalinium is found in herbs and spices.
Benomyl
Benomyl is an Agricultural and horticultural systemic fungicide mainly used on rice and soybea D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D016573 - Agrochemicals D010575 - Pesticides
C19075
CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4903; ORIGINAL_PRECURSOR_SCAN_NO 4900 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4918 DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 913; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4918 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4879; ORIGINAL_PRECURSOR_SCAN_NO 4878 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4905; ORIGINAL_PRECURSOR_SCAN_NO 4901 INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4934; CONFIDENCE standard compound; ORIGINAL_PRECURSOR_SCAN_NO 4933 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4934; ORIGINAL_PRECURSOR_SCAN_NO 4933 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4927; ORIGINAL_PRECURSOR_SCAN_NO 4924 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9409; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9436; ORIGINAL_PRECURSOR_SCAN_NO 9434 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9463; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9471 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9457; ORIGINAL_PRECURSOR_SCAN_NO 9456 CONFIDENCE standard compound; INTERNAL_ID 2612 CONFIDENCE standard compound; INTERNAL_ID 8426 CONFIDENCE standard compound; INTERNAL_ID 4046
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
plumericin
[Raw Data] CBA31_Plumericin_pos_40eV_1-5_01_1567.txt [Raw Data] CBA31_Plumericin_pos_10eV_1-5_01_1548.txt [Raw Data] CBA31_Plumericin_pos_20eV_1-5_01_1565.txt [Raw Data] CBA31_Plumericin_pos_30eV_1-5_01_1566.txt [Raw Data] CBA31_Plumericin_pos_50eV_1-5_01_1568.txt
Indoleacetylaspartate
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a dipeptide. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a natural product found in Allium sativum and Allium schoenoprasum with data available. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is found in garlic, soft-necked garlic, and onion-family vegetables.
L-N-(1H-Indol-3-ylacetyl)aspartic acid
L-N-(1H-Indol-3-ylacetyl)aspartic acid is found in garden tomato (var.). L-N-(1H-Indol-3-ylacetyl)aspartic acid is a constituent of many plant species including soybean Glycine max. It is a metabolite of 1H-Indole-3-acetic acid
N-gamma-Glutamyl-S-allylcysteine
Isolated from garlic (Allium sativum)and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-allylcysteine is found in many foods, some of which are chives, onion-family vegetables, soft-necked garlic, and garlic. N-gamma-Glutamyl-S-allylcysteine is found in chives. N-gamma-Glutamyl-S-allylcysteine is isolated from garlic (Allium sativum)and chives (Allium schoenoprasum
Fonsecin
Fonsecin is a mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
2-(4-Methyl-3-pentenyl)anthraquinone
2-(4-Methyl-3-pentenyl)anthraquinone is found in fats and oils. 2-(4-Methyl-3-pentenyl)anthraquinone is isolated from the hairy root culture of Sesamum indicum (sesame). Isolated from the hairy root culture of Sesamum indicum (sesame). 2-(4-Methyl-3-pentenyl)anthraquinone is found in fats and oils.
N-gamma-Glutamyl-S-(1-propenyl)cysteine
N-gamma-Glutamyl-S-(1-propenyl)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-(1-propenyl)cysteine is a constituent of Allium species. Constituent of Allium subspecies N-gamma-Glutamyl-S-cis-(1-propenyl)cysteine is found in soft-necked garlic and onion-family vegetables.
6-Hydroxy-alpha-pyrufuran
6-Hydroxy-alpha-pyrufuran is found in fruits. 6-Hydroxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 6-Hydroxy-alpha-pyrufuran is found in fruits.
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is found in fruits. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is found in fruits.
Marshrin
Marshrin is found in citrus. Marshrin is a constituent of the roots of Marsh grapefruit (Citrus paradisi). Constituent of the roots of Marsh grapefruit (Citrus paradisi). Marshrin is found in citrus.
Osmundalin
Osmundalin is found in root vegetables. Osmundalin is isolated from ferns Osmunda japonica (zenmai
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
C10H18N4O6 (290.12262880000003)
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is found in pomes. N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is a constituent of the seeds of Vicia faba and the shoots of apple and pear trees. Constituent of the seeds of Vicia faba and the shoots of apple and pear trees. N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is found in pomes and pulses.
5,6-Dihydro-11-methoxyyangonin
5,6-Dihydro-11-methoxyyangonin is found in beverages. 5,6-Dihydro-11-methoxyyangonin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 5,6-Dihydro-11-methoxyyangonin is found in beverages.
Furaneol 4-glucoside
Furaneol 4-glucoside is found in fruits. Furaneol 4-glucoside is a constituent of strawberry juice. Constituent of strawberry juice. Furaneol 4-glucoside is found in fruits.
N2-(3-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
N2-(3-Hydroxysuccinoyl)arginine is found in pomes. N2-(3-Hydroxysuccinoyl)arginine is a constituent of the shoots of apple and pear trees. Constituent of the shoots of apple and pear trees. N2-(3-Hydroxysuccinoyl)arginine is found in pomes.
gamma-Pyrufuran
gamma-Pyrufuran is found in pomes. gamma-Pyrufuran is a constituent of Pyrus communis (pear) infected with Chondrostereum purpureum
3-Hydroxyphloretin
3-Hydroxyphloretin is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Cartorimine
Constituent of Carthamus tinctorius (safflower). Cartorimine is found in fats and oils and herbs and spices. Cartorimine is found in fats and oils. Cartorimine is a constituent of Carthamus tinctorius (safflower)
Rutalinium
Rutalinium is found in herbs and spices. Rutalinium is an alkaloid from Ruta graveolens (rue), Ruta graveolens ssp. hortensis. Alkaloid from Ruta graveolens (rue), Ruta graveolens sspecies hortensis. Rutalinium is found in herbs and spices.
ARGININOSUCCINATE
C10H18N4O6 (290.12262880000003)
Glycine, N-[1-(phenylacetyl)-L-prolyl]-
(3R,4R)-7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
Dehydrocurvularin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Toddanone
5,7-Dimethoxy-6-(3-methyl-2-oxobutyl)chromen-2-one is a natural product found in Zanthoxylum asiaticum with data available.
2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran
1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
(5R,6R)-5-(1-hydroxyethyl)-2(5H)-furanone beta-D-glucopyranoside
1-(4-Hydroxyphenyl)-2-(3-methoxy-4-hydroxyphenyl)propane-1,3-diol
(1E)-5,7-dimethoxy-8-(3-hydroxy-3-methylbut-1-enyl)coumarin|(E)-8-(3-hydroxy-3-methyl-1-butenyl)-5,7-dimethoxycoumarin|5,7-dimethoxy-8-((E)-3-hydroxy-3-methylbut-1-enyl)coumarin|5-methoxymurraol
(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-8-oxo-2,6-octadienoic acid|orirubenone D
Thioacetic acid S-[[4,4a,7,8,8a,9-hexahydro-9,9-dimethylnaphtho[2,3-b]furan]-6-yl]methyl ester
Gerberin|O-beta-D-Glucopyranoside-5,6-Dihydro-4-hydroxy-6-methyl-2H-pyran-2-one
2-carboxy-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]quinolizinium betaine|Vincarpin|Vincarpine
Thioacetic acid S-[[4,4a,5,6,8a,9-hexahydro-4,4-dimethylnaphtho[2,3-b]furan]-7-yl]methyl ester
(S)-3,4,4-trihydroxy-5,alpha-dimethoxybibenzyl|dendrocandin C
8beta-methoxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
8-hydroxy-6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one|barbatumol A
7-hydroxy-6,8-dimethoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one|barbatumol B
2S-isopropenyl-4,8-dimethoxy-5-hydroxy-6-methyl-2,3-dihydrobenzo[1,2-b;5,4-b]difuran
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)propane-1,2-diol|peapolyphenol B
N-(4-Chlor-benzyl)-N,N-dimethyl-N-pyrimidin-2-yl-aethylendiamin|N-(4-chloro-benzyl)-N,N-dimethyl-N-pyrimidin-2-yl-ethylenediamine|solamin
2,2-dimethyl-4-oxo-8-(2-oxopropyl)-chroman-6-yl acetate
Dihydroageraton-O-methylaether|Dihydroageratone -6-Me ether
3-(4-acetoxyprenyl)-7E-p-coumaric acid|3-<4-acetoxyprenyl>-7E-p-coumaric acid
Me glycoside,2,3-O-isopropulidene,4-Ac,6-Me-Talose,
4-[2-(5-Hydroxy-1H-indole-3-yl)ethylamino]-4-oxobutyric acid methyl ester
(R)-4,5-dimethoxy-3-(4-phenyl-2-oxobutyl)-5H-furan-2-one|fissohamione
Di-Et ester,2,3:4,5-di-O-methylene-Galactaric acid
4,5,7-trihydro-3,2-spiro-[(1-oxolo)-benzopyr-3-one]-pyrralo-[4,5-b]-quinazoline|trisulcusine
chrysopine
C11H18N2O7 (290.11139579999997)
A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens.
(3S,8S)-cordiarimide B|cordiarimide B|N-[(S)-1-[(S)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
15-Aldehyde,Me ester-(1(10)E,4E,6alpha)-15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid|Methyl 15-oxogermacra-1(10)E,4E,11(13)-trien-6alpha,12-olide-14-oic acid
[4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
n-(6-hydroxyindol-3-ylacetyl)-valine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Toddanol
(-)-Toddanol is a natural product found in Zanthoxylum asiaticum with data available.
Artain
Artanin is a natural product found in Artemisia tanacetifolia and Artemisia atrata with data available.
GSAC dipeptide
gamma-Glutamyl-S-allylcysteine is a natural product found in Allium sativum with data available. See also: Garlic (part of). γ-Glutamyl-S-allylcysteine (L-γ-Glutamyl-(S)-Allyl-Cysteine) is a naturally occurring organosulfur compound found in garlic. γ-Glutamyl-S-allylcysteine has antiglycative effect and shows radical-scavenging and metal-chelating capacities[1][2]. γ-Glutamyl-S-allylcysteine (L-γ-Glutamyl-(S)-Allyl-Cysteine) is a naturally occurring organosulfur compound found in garlic. γ-Glutamyl-S-allylcysteine has antiglycative effect and shows radical-scavenging and metal-chelating capacities[1][2].
Trimethioprim
Trimethoprim. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=738-70-5 (retrieved 2024-07-09) (CAS RN: 738-70-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
CLE_291.1026_12.2
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 200
C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Argininosuccinic acid
C10H18N4O6 (290.12262880000003)
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KDZOASGQNOPSCU_STSL_0151_Argininosuccinic acid_8000fmol_180506_S2_LC02_MS02_235; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one_major
Ala Gly Gly Ser
C10H18N4O6 (290.12262880000003)
Ala Gly Ser Gly
C10H18N4O6 (290.12262880000003)
Ala Ser Gly Gly
C10H18N4O6 (290.12262880000003)
Gly Ala Gly Ser
C10H18N4O6 (290.12262880000003)
Gly Ala Ser Gly
C10H18N4O6 (290.12262880000003)
Gly Gly Ala Ser
C10H18N4O6 (290.12262880000003)
Gly Gly Gly Thr
C10H18N4O6 (290.12262880000003)
Gly Gly Ser Ala
C10H18N4O6 (290.12262880000003)
Gly Gly Thr Gly
C10H18N4O6 (290.12262880000003)
Gly Ser Ala Gly
C10H18N4O6 (290.12262880000003)
Gly Ser Gly Ala
C10H18N4O6 (290.12262880000003)
Gly Thr Gly Gly
C10H18N4O6 (290.12262880000003)
Ser Ala Gly Gly
C10H18N4O6 (290.12262880000003)
Ser Gly Ala Gly
C10H18N4O6 (290.12262880000003)
Ser Gly Gly Ala
C10H18N4O6 (290.12262880000003)
Thr Gly Gly Gly
C10H18N4O6 (290.12262880000003)
N-g-Glutamyl-S-allylcysteine
N2-(3-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
Furaneol 4-glucoside
Ribalinium
2,3-dihydroxy-9-phenyl-2,3-dihydro-1H-phenalen-1-one
N-g-Glutamyl-S-(1-propenyl)cysteine
5,6-Dihydro-11-methoxyyangonin
N2-(2-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
(2S,4S)-1-CBZ-4-AZIDOPYRROLIDINE-2-CARBOXYLIC ACID
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
2-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2,5-dioxopyrrolidin-1-yl 6-(2-(propan-2-ylidene)hydrazinyl)nicotinate (S-SANH)
ethyl 1-(aminomethyl)-6,8-dimethoxyisoquinoline-4-carboxylate
1H-Isoindole-1,3(2H)-dione,2-[2-(1H-indol-3-yl)ethyl]-
4-Hydroxy-8-isopropyl-6,7-dimethoxy-2-naphthoic acid
2,3-DI-O-ACETYL-4,6-O-ETHYLIDENE-SS-D-GLUCOPYRANOSE
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
C14H24Cl2N2 (290.13164439999997)
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
L-ASPARTIC ACID ALPHA-(7-AMIDO-4-METHYLCOUMARIN), TRIFLUOROACETIC ACID SALT
1-(3-NITROPHENYLSULFONYL)PYRROLIDINE
C14H24Cl2N2 (290.13164439999997)
2-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide,hydrochloride
4-Amino-2-deoxy-2,3-dehydro-n-neuraminic acid
C11H18N2O7 (290.11139579999997)
N4-(3-ETHYNYLPHENYL)-7-METHOXYQUINAZOLINE-4,6-DIAMINE
UNII:59JV96YTXV
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Midodrine hydrochloride ((±)-Midodrine hydrochloride) is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.
4-(3,5-DIMETHYL-ISOXAZOL-4-YLMETHOXY)-BENZALDEHYDE
1-TERT-BUTYL 5-METHYL 3-METHYL-1H-INDAZOLE-1,5-DICARBOXYLATE
4-ETHYL-2-(2-ETHYL-PYRIDIN-4-YL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
C15H18N2O2S (290.10889280000004)
N-METHYL-N-[4-(PIPERIDIN-1-YLMETHYL)BENZYL]AMINE DIHYDROCHLORIDE
C14H24Cl2N2 (290.13164439999997)
4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)PHENOL
1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
C12H22N2O4S (290.13002120000004)
Urea,1-allyl-3-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-2-thio- (6CI)
2-Fluoro-3-(trifluoromethyl)phenylboronic acid pinacol ester
1H-Indole-3-acetonitrile, a,a-dimethyl-6-(phenylmethoxy)-
1-(2-Nitro-5-(trifluoromethyl)phenyl)piperidin-4-ol
C12H13F3N2O3 (290.08782240000005)
Ethyl 4-hydroxy-1-isopropyl-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1-PROPYL-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
TERT-BUTYL (2-AMINO-4-(THIOPHEN-2-YL)PHENYL)CARBAMATE
C15H18N2O2S (290.10889280000004)
2-Cyclopropyl-7,8-dimethoxy-2H-chromene-5-carboxylic acid methyl ester
5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulphonamide
C15H18N2O2S (290.10889280000004)
N-((1R,2R)-2-AMINO-1,2-DIPHENYLETHYL)METHANESULFONAMIDE
C15H18N2O2S (290.10889280000004)
1-(2-HYDROXY-2-METHYLPROPYL)-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDROPYRAZOLE-4-CARBOXYLIC ACID
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-thienylmethyl)-1H-pyrazole
1-[1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
2-TERT-BUTOXYCARBONYLAMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
1,2-o-isopropylidene-3-benzoyloxy-5,6-dideoxy-glucofuranose
2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
1-Ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyrid ine-5-carboxylic acid
Diethyl 2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylate
methyl 3-amino-4-[(4-chlorophenyl)methylamino]benzoate
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine
C14H24Cl2N2 (290.13164439999997)
(3-(CYCLOPENTYLOXY)-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
tert-Butoxy(chloro)diphenylsilane
C16H19ClOSi (290.08936339999997)
3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine oxide
3-Amino-N-(3-Chloro-2-methylphenyl)-4-methoxybenzamide
benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride(dr>98/2)
C14H24Cl2N2 (290.13164439999997)
3-Piperidinamine,N,4-dimethyl-1-(phenylmethyl)-,hydrochloride (1:2),(3S,4R)-
C14H24Cl2N2 (290.13164439999997)
2-Propenoic acid 4-[(4-propylphenyl)ethynyl]phenyl ester
N,N-bis(4-fluorophenyl)propanediamide
C15H12F2N2O2 (290.08667959999997)
Tris(trimethylsilyl)silyloxyethylene,Vinyloxytris(trimethylsilyl)silane
1-CYANO-2-ETHOXYCARBONYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
1-PHENYL-2-PYRROLIDIN-1-YL-ETHYLAMINE
C15H18N2O2S (290.10889280000004)
1-Octyl-2,3-Dimethylimidazolium Bromide
C13H27BrN2 (290.13574819999997)
2-(2-Fluoro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d][1,3]dioxol-5-yl)ethanone
4-Fluoro-3-(trifluoroMethyl)phenylboronic acid pinacol ester
2-(3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
EPSILON-AMINOCAPROYL-P-CHLORO-BENZYLAMIDE HYDROCHLORIDE
N-(4-Aminobenzyl)-N-methyl-p-Toluenesulfonamide
C15H18N2O2S (290.10889280000004)
9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
C11H18N2O7 (290.11139579999997)
1-(4-Methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
N-[(4-methyl-5-phenyldiazenyl-2-imidazolylidene)amino]aniline
2-(3-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
C16H18O3S (290.09765980000003)
N-[(E)-(4-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
C13H11FN4O3 (290.08151480000004)
1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
Ethyl 5-methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
C15H18N2O2S (290.10889280000004)
1-Piperidinecarboxylic acid (5-chloro-8-quinolinyl) ester
1-(4-Amino-3,5-dichlorophenyl)-2-(3-methylbutylamino)ethanol
Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
C12H26O4Si2 (290.13695559999996)
(2R)-2-[[N-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
C10H18N4O6 (290.12262880000003)
5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
3-Hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol
Methyl (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate
80681-42-1
5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1]. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1].
2-Hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
2-[[2-(6-Hydroxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
2,5-Dimethyl-4-hydroxy-3(2H)-furanone beta-D-glucopyranoside
(1R,5aS,6R)-4a-hydroxy-4,5,5a,6,9,10a-hexahydro-1H-phenazine-1,6-dicarboxylate
(2S)-3-methyl-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]butanoic acid
(2,6-Diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate
C9H16N5O4S+ (290.09229560000006)
(2-Imino-3-methyl-5-oxoimidazolidin-4-yl) 2-benzamidoacetate
Dendrocandin C
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4 and methoxy groups at C-5 and alpha-position respectively (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
Legioliulin
A member of the class of isocoumarins that is 8-hydroxy-1H-isochromen-1-one substituted by a (1E,3E)-4-phenylbuta-1,3-dien-1-yl group at position 3. It is a fluorophore responsible for the blue-white autofluorescence in Legionella dumoffii.
1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
N-[(5-chloro-8-hydroxy-7-quinolinyl)-cyclopropylmethyl]acetamide
4-(5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
2-Amino-4-(2-fluorophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrile
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
C15H18N2O2S (290.10889280000004)
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-oxolanecarboxamide
C15H18N2O2S (290.10889280000004)
3-chloro-N-methyl-N-[4-(1-pyrrolidinyl)but-2-ynyl]benzamide
4-amino-N-[(1E)-(3,4-dimethoxyphenyl)methylene]-1,2,5-oxadiazole-3-carbohydrazonamide
N-(2-oxoazepan-3-yl)-N-(pyridin-3-ylmethyl)oxamide
2S-Isopropenyl-4,8-dimethoxy-5-hydroxy-6-methyl-2,3-dihydrobenzo[1,2-b:5,4-b]difuran
A natural product found in Cyperus teneriffae.
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide
2,6-Dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine
5-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
C15H18N2O2S (290.10889280000004)
N-(2-furoyloxy)-3,4-dimethoxybenzenecarboximidamide
1-(2,3-Dimethyl-6-quinoxalinyl)-3-(3-hydroxypropyl)thiourea
C14H18N4OS (290.12012580000004)
4-Amino-1,2,5-oxadiazole-3-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester
N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]pyridine-4-carboxamide
3,5-dimethyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide
6-methoxy-2-(3-phenyl-2-propenylidene)-3,4-dihydro-1(2H)-naphthalenone
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-furo[2,3-b]pyrano[3,4-e]pyridine-2-carboxylate
(6R,7S,8aS)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoic acid
(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoic acid
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-2-phenylethenyl]phenyl]azetidine-2-carbonitrile
tert-butyl N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]carbamate
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-2-phenylethenyl]phenyl]azetidine-2-carbonitrile
beta-Chrysopine
C11H18N2O7 (290.11139579999997)
A chrysopine formally derived from beta-D-fructopyranose.
alpha-Chrysopine
C11H18N2O7 (290.11139579999997)
A chrysopine formally derived from alpha-D-fructopyranose.
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
(9Z)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
1-Phenyl-1-(5-methyl-3-phenyl-2-furyl)acetone (3,3,3-D3)
2-(Phenylethynyl)-1,1,1,2,3,3,3-heptamethyltrisilane
2-(3-Chloropropionyl)-5,7-dimethyl-1,2,3,4-tetrahydropyrimido(1,6-A)indole
(2AR,5AS)-3,5-Dioxo-2,4-diphenyl-3,4,5,6-tetrahydropyrrolo(3,4-C)pyrrole
1,3-Dimethyl-4,6-diphenyl-2-oxabicyclo(4.1.0)hept-3-EN-5-one
2-[(Z)-2,4-Hexadiynylidene]-3-acetoxy-1,6-dioxaspiro[4.5]decan-4-ol
carbinoxamine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
N-succinyl-LL-2,6-diaminopimelic acid
C11H18N2O7 (290.11139579999997)
A tricarboxylic acid consisting of LL-2,6-diaminopimelic acid having a succinoyl group attached to one of the nitrogens.
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
Benlate
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D016573 - Agrochemicals D010575 - Pesticides
(N(omega)-L-arginino)succinic acid
C10H18N4O6 (290.12262880000003)
N-Succinyl-L,L-2,6-diaminopimelate
C11H18N2O7 (290.11139579999997)
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
C10H18N4O6 (290.12262880000003)
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one
alpha,beta-Dehydrocurvularin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
11,13-dihydroxy-4-methyl-2,4,5,6,7,10-hexahydro-1H-3-benzoxacyclododecine-2,10-dione
2-naphthyl alpha-L-fucoside
An alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group.
4,5,4-trihydroxy-3,3-dimethoxybibenzyl
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 4, 4, and 5 and a methoxy groups at positions 3 and 3. It is isolated from Dendrobium ellipsophyllum and sensitizes lung cancer cells to anoikis.
N-(indole-3-acetyl)-L-aspartic acid
An N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl.
M4 mAChR agonist-1
C14H18N4OS (290.12012580000004)
M4 mAChR agonist-1 (compound 10a) is a potent M4 mAChR agonist with an EC50 >10 μM for human M4[1].