Exact Mass: 296.1380824
Exact Mass Matches: 296.1380824
Found 500 metabolites which its exact mass value is equals to given mass value 296.1380824,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxynivalenol
Deoxynivalenol is found in cereals and cereal products. Deoxynivalenol is produced by Fusarium graminearum and Fusarium roseum, responsible for headblight in cereals Vomitoxin, also known as deoxynivalenol (DON), is a type B trichothecene, an epoxy-sesquiterpeneoid. This mycotoxin occurs predominantly in grains such as wheat, barley, oats, rye, and maize, and less often in rice, sorghum, and triticale. The occurrence of deoxynivalenol is associated primarily with Fusarium graminearum (Gibberella zeae) and F. culmorum, both of which are important plant pathogens which cause Fusarium head blight in wheat and Gibberella ear rot in maize. Deoxynivalenol is a direct relationship between the incidence of Fusarium head blight and contamination of wheat with deoxynivalenol has been established. The incidence of Fusarium head blight is strongly associated with moisture at the time of flowering (anthesis), and the timing of rainfall, rather than the amount, is the most critical factor. Furthermore, deoxynivalenol contents are significantly affected by the susceptibility of cultivars towards Fusarium species, previous crop, tillage practices, and fungicide us Production by Fusarium graminearum and Fusarium roseum, responsible for headblight in cereals D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Methdilazine
C18H20N2S (296.13471200000004)
Methdilazine is only found in individuals that have used or taken this drug. It is a phenothiazine compound with antihistaminic activity. It is used in the treatment of various dermatoses to relieve pruritus.Methdilazine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Ovalicin
Ovalicin is found in lettuce seeds. Found in lettuce seeds
Calophyllin B
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
(E)-Arachidin II
(Z)-Arachidin II is found in nuts. (Z)-Arachidin II is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E)-Arachidin II is found in peanut and nuts.
Didemethylcitalopram
In humans, CITA is metabolized to demethylcitalopram (DCITA) by CYP2C19, CYP2D6, and CYP3A and to didemethylcitalopram by CYP2D6. (PMID: 19011672) The major metabolite of citalopram is demethylcitalopram, which is subsequently metabolized to the minor metabolite didemethylcitalopram (DDCT). (PMID: 22085614)
fenspiride hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents Fenspiride, an orally active non-steroidal antiinflammatory agent, is an antagonist of H1-histamine receptor. Fenspiride inhibites phosphodiesterase 3 (PDE3), phosphodiesterase 4 (PDE4) and phosphodiesterase 5 (PDE5) activities with -log IC50 values of 3.44, 4.16 and approximately 3.8, respectively. Fenspiride can be used for the research of respiratory diseases[1][2][3].
Cryptotanshinone
Cryptotanshinone is found in herbs and spices. Cryptotanshinone is isolated from Rosmarinus officinalis (rosemary Isolated from Rosmarinus officinalis (rosemary). Cryptotanshinone is found in herbs and spices. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
Isolated from ground nuts incubated at 25°. 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol is found in nuts. Arachidin III is found in nuts. Arachidin III is isolated from peanuts (Arachis hypogaea).
Methyl dihydrophaseate
Methyl dihydrophaseate is found in pulses. Methyl dihydrophaseate is isolated from French beans. Isolated from French beans. Methyl dihydrophaseate is found in pulses.
4'-Hydroxy-R-phenprocoumon
4-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
Cyclocalopin E
Cyclocalopin E is found in mushrooms. Cyclocalopin E is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin E is found in mushrooms.
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b,8a-Dihydroxy-6b-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
Chavicol O-beta-glucopyranoside
Chavicol O-beta-glucopyranoside is a flavour enhancer and sweetening agent [CCD]. Flavour enhancer and sweetening agent [CCD]
Cyclocalopin A
Cyclocalopin A is found in mushrooms. Cyclocalopin A is a bitter principle isolated from Boletus calopus and other Boletus species. Bitter principle isolated from Boletus calopus and other Boletus subspecies Cyclocalopin A is found in mushrooms.
Marasmal
Marasmal is found in mushrooms. Marasmal is a metabolite of Marasmius oreades (fairy ring mushroom). Metabolite of Marasmius oreades (fairy ring mushroom). Marasmal is found in mushrooms.
Panaxydol chlorohydrin
Panaxydol chlorohydrin is found in tea. Panaxydol chlorohydrin is isolated from Korean ginseng root. Isolated from Korean ginseng root. Panaxydol chlorohydrin is found in tea.
Methionyl-Phenylalanine
Methionyl-Phenylalanine is a dipeptide composed of methionine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Parakmerin A
Parakmerin A is found in herbs and spices. Parakmerin A is a constituent of the seed of Myristica fragrans (nutmeg). Constituent of the seed of Myristica fragrans (nutmeg). Parakmerin A is found in herbs and spices.
Cyclocalopin C1
Cyclocalopin C2 is found in mushrooms. Cyclocalopin C2 is isolated from Boletus radicans. Isolated from Boletus radicans. Cyclocalopin C1 is found in mushrooms.
Phenylalanylmethionine
Phenylalanylmethionine is a dipeptide composed of phenylalanine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
exo-Dehydrochalepin
exo-Dehydrochalepin is found in herbs and spices. exo-Dehydrochalepin is a constituent of Ruta graveolens (rue) roots. Constituent of Ruta graveolens (rue) roots. exo-Dehydrochalepin is found in herbs and spices.
6-allyl-8b-Carboxy-ergoline
6-allyl-8b-Carboxy-ergoline is a metabolite of cabergoline. Cabergoline (brand names Dostinex and Cabaser), an ergot derivative, is a potent dopamine receptor agonist on D2 receptors. In vitro, rat studies show cabergoline has a direct inhibitory effect on pituitary lactotroph cells. It is frequently used as a first-line agent in the management of prolactinomas due to higher affinity for D2 receptor sites, less severe side effects, and more convenient dosing schedule than the older bromocriptine. (Wikipedia)
10-Acetoxy-10,11-dihydro-5h-dibenz[b,f]azepine-5-carboxamide
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate
D007004 - Hypoglycemic Agents
3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-YL)methylene]-2-indolinone
(1R,2S,7R,9R,10R,12R)-10-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-3,4-dione
Rosin_(chemical)
Rosin is a solid form of resin obtained from pines and other plants, mostly conifers. It is prepared from heating fresh liquid resin to vaporize the volatile liquid terpene components. Rosin is used in various commercial and industrial applications, including printing, lead-tin industry, and food production. In the pharmaceuticals, rosin is used in film forming and coating tablets and enterically administered agents, as well as forming microcapsules and nanoparticles. Rosin has shown to mediate antibacterial actions on Gram-positive bacterial species. Rosin is a natural product found in Piper retrofractum, Rhodiola rosea, and other organisms with data available. Rosin is isolated from pine wood or pine stumps, Rosin is a frequent contact allergen which induces allergic contact dermatitis[1]. Rosin is isolated from pine wood or pine stumps, Rosin is a frequent contact allergen which induces allergic contact dermatitis[1].
5E9SXT166N
Cryptotanshinone is an abietane diterpenoid. It has a role as an anticoronaviral agent. Cryptotanshinone is a natural product found in Acokanthera oppositifolia, Salvia miltiorrhiza, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
Phomopsolide B
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
Isolated from ground nuts incubated at 25°. 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol is found in nuts. Arachidin III is found in nuts. Arachidin III is isolated from peanuts (Arachis hypogaea).
1beta,2beta-Epoxy-3beta,4alpha,10alpha-trihydroxyguaia-11(13)-en-12,6alpha-olide
8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one
5,8-Methano-1,7-dioxacyclopent[cd]azulene-2,6-dione, octahydro-2a,9-dihydroxy-8b-methyl-9-(1-methylethyl)-, [2aR-(2a.alpha.,4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,8b.alpha.,9R*)]-
7,8-Dihydroxy-2,2-dimethyl-5-(2-phenylethyl)chromene
3beta-Hydroxy-5alpha-Hydroperoxycostic acid methyl ester
[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Coriatin
A sesquiterpene lactone containing two epoxide groups and two tertiary hydroxy groups that has been isolated from the roots of Coriaria nepalensis.
epi-5-Hydroperoxy-5,6-dihydro-6,13-dehydro-antheindurolide A
Propizepine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
C10-DATS (TENTATIVE)
C16H24O3S (296.14460740000004)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz295_14_rt16_23_HCD60_C10-DATS; CONFIDENCE Tentative identification: isomers possible (Level 3)
4-[3,5-dihydroxy-4-(2-methyl-1-oxopropyl)phenoxy]-2-methylbutanoic acid
2-methoxy-3-(1,1-dimethylallyl)-6a,10a-dihydrobenzo (1,2-c)chroman-6-one
8-acetyl-3,4-dihydroxy-5,7-dimethoxy-2,2-dimethylchroman
Me glycoside, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI
2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6,7-diol
6S-acetyl-4R,5R-dimethyl-1R(10S)-epoxy-2R-hydroxy-7R-acetoxydecahydronaphthalene
1beta,10alpha-epoxy-4-methoxy-8-hydroxyglechomanolide
(-)-diospongin A|(-)-diospongin B|(3R,5S,7S)-1,7-diphenyl-3,7-epoxy-5-hydroxy-1-heptanone|1-phenyl-2-[(2R,4R,6S)-tetrahydro-4-hydroxy-6-phenyl-2H-pyran-2-yl]ethanone|2-((2R,4S,6S)-4-hydroxy-6-phenyl-tetrahydro-2H-pyran-2-yl)-1-phenylethanone|2-[(2R,4S,6S)-4-hydroxy-6-phenyltetrahydro-2H-pyran-2-yl]-1-phenylethanone|diospongin A|Diospongin B
8-Methyl-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquino[2,1-b][2,7]naphthyridin-2-ol
4-O-beta-D-Glucopyranosyl-D-xylose|Pyranose-4-O-beta-D-Glucopyranosyl-D-xylose
rugosic acid A methyl ester|rugosid acid A methyl ester
6beta,8beta,10beta-trihydroxy-3-oxoeremophilenolide|6??,8??,10??-Trihydroxy-3-oxoeremophilenolide
7alpha,10alpha-dihydroxy-1beta-methoxyeremophil-11(13)-en-12,8beta-olide
5-acetyloxy-3,9a-dihydroxy-9a-homomegastigma-6,7-dien-9-one
inulasalsolide B|rel-(3aR,4S,6E,11R,11aS)-2,3,3a,4,5,8,9,10,11,11a-decahydro-4,10,11-trihydroxy-10-methyl-3-methylidene-2-oxocyclododeca[b]furan-6-carbaldehyde
4beta,10beta-dihydroxy-1alpha-methoxy-5alpha,11alphaH-guaia-2-en-12,6alpha-olide
rel-5-(3S,8S-dihydroxy-1R,5S-dimethyl-7-oxa-6-oxobicyclo[3,2,1]oct-8-yl)-3-methyl-2Z,4E-pentadienoic acid
Me glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose|Me glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-L-arabinose|Me glycoside-beta-Pyranose-2-O-beta-D-Xylopyranosyl-L-arabinose
Me ester -(4alpha,6alpha,11xi)-4,6-Dihydroxy-9-oxo-7-eudesmen-12-oic acid
3,4-dideoxy-5-O-alpha-D-galactopyranosyl-pentonic acid
p-propenylphenol beta-D-glucopyranoside|trans-4-propenylphenol glucoside
1-Oxomiltirone
1-Oxomiltirone is a natural product found in Salvinia molesta, Salvia, and other organisms with data available.
8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide|8beta,10beta-dihydroxy-6beta-methoxyleremophilenolide|8??,10??-Dihydroxy-6??-methoxyeremophil-7(11)-en-12,8??-olide
7,8-Dihydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran
1beta,10beta-epoxy-7beta-hydroxy-8alpha-methoxyeremophil-11alphaH-12,8beta-olide
(+)-kopsihainanine A|(1S,3R,4aR,11cS)-3,4,5,6,7,11c-hexahydro-3-hydroxy-1,4a-propano-4aH-pyrido[3,2-c]carbazol-2(1H)-one|kopsihainanine A
(1R*, 1aS*, 4R*, 7R*, 7aS*, 7b*, 5Z)-4,4a,7-trihydroxyaromadendr-5-en-8-oic acid methyl ester
(-)-(R)-4-hydroxyyashabushiketol|(3R)-3-hydroxy-1-phenyl-7-(4-hydroxyphenyl)-6E-hepten-5-one
10alpha,13-dihydroxy-1beta-methoxyeremophil-7(11)-en-12,8beta-olide
4,10-dihydroxy-8-methoxyguai-7(11)-en-8,12-olide|8-O-methylzedoarolide B
(4aR,5S,8R,8aS,9aS)-4a,5,6,7,8,8a,9,9a-octahydro-8,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|1beta,10beta-dihydroxy-8beta-methoxyeremophil-7(11)-en-12,8alpha-olide
(2R,3R)-5-allyl-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-methylbenzofuran|3?-methoxymiliumollin
(1R,4aS,5R,8aR)-1,2,3,4,4a,5,8,8a-octahydro-5-hydroxy-5-(hydroxymethyl)-1,4a,6-trimethyl-8-oxonaphthalene-1-carboxylic acid methyl ester|loxocalyxins B
rel-(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-3-methyl-5-(E)-propenylbenzofuran
(E)-3-(3-methyl-2-butenyloxy)-4,5-dihydroxystilbene
12, 13-Dihydro, Ac-(3E, 6S, 7S, 9Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
(2R,3R)-5-allyl-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-3-methylbenzofuran|7-methoxymiliumollin
4beta,5beta-epoxy-3beta-hydroxy-10alpha-methoxy-11alphaH-guaia-1-en-12,6beta-olide
(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-5-methoxy-3-methyl-7-propenylbenzofuran
Me glycoside-beta-Pyranose-3-O-beta-D-Xylopyranosyl-D-xylose
(1alpha,5alpha,8alpha,9beta,10alpha,11beta)-9,11,13-Trihydroxy-4-oxo-2-pseudoguaien-12,8-olide
2-O-alpha-Rhamnopyranosyl-L-arabinose|alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
8-Acetoxymethyl-6-methyl-8,9-didehydro-ergolin|8-acetoxymethyl-6-methyl-8,9-didehydro-ergoline|elymoclavine acetate|Elymodavine-acetate|O-acetyl-elymoclavine|O-Acetylelymoclavin
(2S)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbutane-2,3-diol|lenisin A
2,8-Dimethyl-4-acetyl-7-methoxy-9,10-dihydrophenanthrene-3-ol
1beta,3beta,6alpha-trihydroxycostic acid methyl ester
methyl 1beta,2beta,6alpha-trihydroxy-5alpha,7alphaH-eudesma-4(15),11(13)-dien-12-oate
1,7-Bis(4-hydroxyphenyl)hept-6-en-3-on
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one is a diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a member of phenols and a ketone. 1,7-Bis(4-hydroxyphenyl)hept-6-en-3-one is a natural product found in Curcuma kwangsiensis and Curcuma comosa with data available. A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Oxymetazoline hydrochloride
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 D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
(E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
Cryptotanshinone
Origin: Plant, Organic chemicals, Polycyclic compounds, Phenanthrenes Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
Cyptotanshinone
Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
C15H20O6_4-Hydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid
C15H20O6_(2S,3S)-2-[(1E,3R,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate
C15H20O6_6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2-benzofuran-1(3H)-one
C15H20O6_Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (2xi,3alpha,7alpha,11xi)
C19H20O3_3,9-Dimethyl-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-1,7-diol
C16H24O5_2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,8-dihydroxy-alpha,4a,8-trimethyl-5-oxo-, methyl ester
C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one
C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate
C16H24O5_Cyclohexaneacetic acid, 4-ethenyl-2,6-dihydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester
methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate
[(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
DEOXYNIVALENOL
A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based on: CCMSLIB00000848120]
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based: Match]
Vomitoxin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE standard compound; INTERNAL_ID 5967
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8955; ORIGINAL_PRECURSOR_SCAN_NO 8953 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8990; ORIGINAL_PRECURSOR_SCAN_NO 8988 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9000; ORIGINAL_PRECURSOR_SCAN_NO 8999 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9036 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9042; ORIGINAL_PRECURSOR_SCAN_NO 9041 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9060; ORIGINAL_PRECURSOR_SCAN_NO 9058
[(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate_major
Met-phe
A dipeptide formed from L-methionine and L-phenylalanine residues.
Phe-met
A dipeptide formed from L-phenylalanine and L-methionine residues.
3,4',5-Trihydroxy-4-
Marasmal
Methyl dihydrophaseate
Cyclocalopin A
Cyclocalopin C1
Cyclocalopin E
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide
6,6-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine)
Methyl 2-[2,6-dihydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylate
Glycyclamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Ethyl 5-(benzyloxy)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
5-tert-Butyl 1-ethyl 3-aminopyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
C13H20N4O4 (296.14844800000003)
3-aminomethyl-2-cbz-1,2,3,4-tetrahydro-isoquinoline
tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate
Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1H-indole-5-carboxylate
C16H16N4O2 (296.12731959999996)
(R)-3-(3-Fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidin-2-one
C14H17FN2O4 (296.11722940000004)
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
3,5-di-tert-butyl-4-hydroxybenzenepropanoyl chloride
Guanethidine sulfate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
(R)-BENZYL METHYL(1,2,3,4-TETRAHYDROQUINOLIN-3-YL)CARBAMATE
1-methyl-1-phenyl-N,N-bis(trimethylsilyl)-Silanediamine
trimethoxy-[2-(trimethoxysilylmethyl)prop-2-enyl]silane
C10H24O6Si2 (296.11113639999996)
ETHYL 5-CYANO-6-IMINO-4-METHYL-1-(4-METHYLPHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
C16H16N4O2 (296.12731959999996)
Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate
tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
2-(3-CHLORO-5-PROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H22BClO3 (296.13504420000004)
2-(3-CHLORO-5-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H22BClO3 (296.13504420000004)
4-formyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
1H-Indazole-3-carboxylic acid, 6-(phenylmethoxy)-, ethyl ester
8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate
Eslicarbazepine acetate
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate
C13H20N4O4 (296.14844800000003)
Phosphonium,tributyl(carboxymethyl)-, chloride (1:1)
tert-butyl 5-(2-aminoethyl)indole-1-carboxylate,hydrochloride
Propanedioic acid,2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester
C15H20O4S (296.10822400000006)
1-ALLYL-3,7-DIMETHYL-8-PHENYLXANTHINE
C16H16N4O2 (296.12731959999996)
1-Butanone,1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-
tert-butyl 7-fluoro-6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
C14H17FN2O4 (296.11722940000004)
N-((1-BENZYL-4-HYDROXYPIPERIDIN-4-YL)METHYL)-2-CHLOROACETAMIDE
Fluproquazone
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Ethyl 4-[(4-aminophenyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carbox ylate
C16H16N4O2 (296.12731959999996)
4-[3-(4-aminocyclohexa-1,3-dien-1-yl)oxyphenoxy]cyclohexa-1,3-dien-1-amine
deuterio 2-[2-[bis(2-deuteriooxy-2-oxoethyl)amino]ethyl-(2-deuteriooxy-2-oxoethyl)amino]acetate
Pyrathiazine
C18H20N2S (296.13471200000004)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-[4-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
Ropinirole hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Ropinirole (SKF 101468) hydrochloride is an orally active, potent D3/D2 receptor agonist with a Ki of 29 nM for D2 receptor. Ropinirole hydrochloride has pEC50s of 7.4, 8.4 and 6.8 for hD2, hD3 and hD4 receptors, respectively. Ropinirole hydrochloride has no affinity for the D1 receptors. Ropinirole hydrochloride has the potential for Parkinson's disease[1][2].
METHACRYLOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYL SULFATE
1-Ethyl-2,3-dimethylimidazolium tosylate [EDiMIM] [TOS]
Diphenhydramine-d5 hydrochloride
C17H16D5NO.HCl (296.17036909000007)
N1,N1-Diphenyl-1,4-benzenediamine hydrochloride
C18H16N2.HCl (296.10801920000006)
tert-Butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxylic acid
C13H20N4O4 (296.14844800000003)
l-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
[1-[3-(4-Methylphenoxy)propyl]-2-benzimidazolyl]methanol
2-Methyl-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1-cyclohexane]thione
C18H20N2S (296.13471200000004)
Exiproben
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
Ethanone, 1,2-diphenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]-
Acetic acid, phenyl(trimethylsiloxy)-, trimethylsilyl ester
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, butyl ester
4733-35-1
Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
1-Ethyl-4-butyltetralin-6-sulfonic acid
C16H24O3S (296.14460740000004)
[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
methyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate
6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-3H-2-benzofuran-1-one
(1R,2R,3S,10R)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
beta-L-arabinofuranosyl-(1->2)-1-O-methyl-beta-L-arabinofuranose
(1R,2S,7R,9R,10R,12R)-10-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2-oxirane]-3,4-dione
3-[4-methyl-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
(-)-(R)-4-Hydroxyyashabushiketol
A natural product found in Alpinia katsumadai.
N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-nitrobenzamide
2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
Fusarentin 6-Methyl Ether
A natural product found in Colletotrichum species.
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-ethoxyphenyl)urea
4-Methoxy-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
(Furan-2-yl)[4-(3-phenylallyl)piperazin-1-yl]methanone
N-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide
C15H16N6O (296.13855259999997)
N-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]butanediamide
C16H16N4O2 (296.12731959999996)
4-[(2-fluorophenyl)diazenyl]-1-phenyl-1H-pyrazole-3,5-diamine
1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyridinylmethyl)acetamide
C16H16N4O2 (296.12731959999996)
N-cyclohexyl-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
6-{[4-(Hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-YL]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione
1-(2-Methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole
1-(Phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
C18H20N2S (296.13471200000004)
3-(4-Chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
N-(1-cyanocyclohexyl)-2-oxo-1-benzopyran-3-carboxamide
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-1-propanamine
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
8-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]-8-oxooctanoic acid
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
6-(O-phosphocholine)oxyhexanoate(1-)
C11H23NO6P- (296.12629280000004)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
(5Z)-3a-Hydroxy-5-[(E)-2-methylbut-2-enylidene]-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one
(2-{[3-(3,4-Dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
(1S,7R,14S)-9-hydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,8,10,12(19)-pentaen-6-one
Benzoic acid, 4-methyl-2-trimethylsilyloxy-, trimethylsilyl ester
Benzoic acid, 3-methyl-2-trimethylsilyloxy-, trimethylsilyl ester
2,6-Dimethyl-5-ethoxy-3-methoxy-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
4-Ethylthio-5-methyl-9-(3-oxobutyl)-2-oxatricyclo(4.4.0.0(4,9))decan-3-one
C16H24O3S (296.14460740000004)
METHDILAZINE
C18H20N2S (296.13471200000004)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
Phe-Met zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-Met.
8-[2-[[5-(hydroxymethyl)-2-furanyl]methylidene]hydrazinyl]-8-oxooctanoic acid
SN40
SN40 is a potent amino acid transport (AAT) inhibitor with Kis of 7.29 μM, 2.42 μM, 2.94 μM, 5.55 μM, 24.43 μM and 5.55 μM for rat ASCT2, human ASCT2, EAAT1, EAAT2, EAAC1 and EAAT5, respectively. SN40 can be used for researching anticancer[1].