Exact Mass: 296.1195
Exact Mass Matches: 296.1195
Found 500 metabolites which its exact mass value is equals to given mass value 296.1195,
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
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
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.
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].
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)
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices.
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.
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.
8-Hydroxy-R-phenprocoumon
8-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)
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.
Dimethylstrobochrysin
Dimethylstrobochrysin is found in tea. Dimethylstrobochrysin is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Dimethylstrobochrysin is found in tea.
6-Hydroxy-R-phenprocoumon
6-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)
7-Hydroxy-R-phenprocoumon
7-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)
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.
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.
Desmosflavone
Desmosflavone is found in tea. Desmosflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Desmosflavone is found in tea.
Demethoxyegonol
Demethoxyegonol is found in mushrooms. Demethoxyegonol is produced by Laetiporus sulphureus var. miniatu
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.
DHAP(8:0)
DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
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].
Phomopsolide B
1beta,2beta-Epoxy-3beta,4alpha,10alpha-trihydroxyguaia-11(13)-en-12,6alpha-olide
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*)]-
epi-5-Hydroperoxy-5,6-dihydro-6,13-dehydro-antheindurolide A
4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
6-ethoxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
Danshenxinkun A
Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1]. Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1].
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate
4-[3,5-dihydroxy-4-(2-methyl-1-oxopropyl)phenoxy]-2-methylbutanoic acid
7-hydroxy-5-methoxy-6,8-dimethylflavone
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
8-acetyl-3,4-dihydroxy-5,7-dimethoxy-2,2-dimethylchroman
[1,4-bis(4-hydroxyphenyl)-2,3-dimethyl-2-butene-1,4-dione]
Me glycoside, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI
7-[2-(4-carboxybuta-1,3-dienyl)phenyl]hepta-2,4,6-trienoic acid
(7S,8R)-2,4-dihydroxy-7,3-epoxy-8,4-oxyneolign-7-yne|4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-O-beta-D-Glucopyranosyl-D-xylose|Pyranose-4-O-beta-D-Glucopyranosyl-D-xylose
6beta,8beta,10beta-trihydroxy-3-oxoeremophilenolide|6??,8??,10??-Trihydroxy-3-oxoeremophilenolide
2-(4-Hydroxy-2-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(4-Hydroxy-2-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
(3E)-2,3-dihydro-7-methoxy-3-[(4-methoxyphenyl)-methylene]-4H-1-benzopyran-4-one|(E)-7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxy-benzylidene)-chroman-4-one|7-methoxy-bonducellin|7-O-methyl-bonducellin|7-O-methylbonducellin
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
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
3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
3,4-dideoxy-5-O-alpha-D-galactopyranosyl-pentonic acid
p-propenylphenol beta-D-glucopyranoside|trans-4-propenylphenol glucoside
(E)-2-(2,4-dihydroxyphenyl)-7-methoxy-5-(1-propenyl)benzofuran|2-Hydroxy,7-Methoxy-2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(2,4-dihydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
2-ethyl-1-hydroxy-8-methoxy-3-methyl-9,10-anthraquinone|2-ethyl-1-hydroxy-8-methoxy-3-methylanthraquinone
(S)-methyl 2-(4-oxo-2-phenylchroman-5-yl)acetate|cryptogione B
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromone|quinanone A
2-(3-Methoxy-4-hydroxyphenethyl)-4H-1-benzopyran-4-one
2-(2-Hydroxy-4-methoxyphenethyl)-4H-1-benzopyran-4-one
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propenyl ester
Di-Me ether-2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone
Me glycoside-beta-Pyranose-3-O-beta-D-Xylopyranosyl-D-xylose
2-(2,6-dihydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran
6-hydroxy-3,3-dimethyl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one|Cordato-oblonguxanthon
(+)-morrisonicolanin|(E)-3-[(2S,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-hydroxymethyl-1-benzo[b]furan-5-yl]-2-propenal
(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
2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran|2-(2-hydroxy-4-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
6-Ethoxy-3(4-hydroxyphenyl)-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.172 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170
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)
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
[(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
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
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-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.
Cyclocalopin A
Cyclocalopin C1
Cyclocalopin E
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
6,6-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine)
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
tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate
Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1H-indole-5-carboxylate
(R)-3-(3-Fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidin-2-one
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Benzenepropanoic acid, a-benzoyl-b-oxo-, ethyl ester
[[4-(4-diazonioimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
trimethoxy-[2-(trimethoxysilylmethyl)prop-2-enyl]silane
2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRICACIDMETHYLESTER
ETHYL 5-CYANO-6-IMINO-4-METHYL-1-(4-METHYLPHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
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
2-(3-CHLORO-5-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
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
2-Butenedioic acid(2E)-, 1,4-bis(phenylmethyl) ester
tert-butyl 5-(2-aminoethyl)indole-1-carboxylate,hydrochloride
5-(3,4-DIMETHOXYBENZYL)PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
Propanedioic acid,2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester
tert-butyl 7-fluoro-6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
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
deuterio 2-[2-[bis(2-deuteriooxy-2-oxoethyl)amino]ethyl-(2-deuteriooxy-2-oxoethyl)amino]acetate
4-((3-AMINOBENZO[E][1,2,4]TRIAZIN-7-YL)OXY)-N-METHYLPICOLINAMIDE
1-Ethyl-2,3-dimethylimidazolium tosylate [EDiMIM] [TOS]
tert-Butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Bermoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
2-Methyl-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1-cyclohexane]thione
Acetic acid, phenyl(trimethylsiloxy)-, trimethylsilyl ester
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, butyl ester
[2-Carboxylethyl]-10-methyl-anthracene endoperoxide
[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
7-Hydroxy-5-methoxy-6,8-dimethylisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 5, a hydroxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus and has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains,H1N1 and H9N2.
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
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.
4-Methoxy-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
N-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]butanediamide
4-[(2-fluorophenyl)diazenyl]-1-phenyl-1H-pyrazole-3,5-diamine
1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyridinylmethyl)acetamide
6-{[4-(Hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-YL]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione
1-(Phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
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
8-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]-8-oxooctanoic acid
(3Z)-3-[(3,4-Dimethoxyphenyl)methylidene]chromen-4-one
Benzoic acid, 4-methyl-2-trimethylsilyloxy-, trimethylsilyl ester
Benzoic acid, 3-methyl-2-trimethylsilyloxy-, trimethylsilyl ester
METHDILAZINE
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
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
7-demethoxyegonol
A member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis.
(2e)-3-[(2s,3r)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2e)-3-phenylprop-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3,8,10-trihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-4-carbaldehyde
3-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-1,4-dione
2',5,6-trihydroxy-2',4'-dimethyl-4-methylidene-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-2-en-7'-one
(3r,6r,7r)-3-[(3e)-1,2-dihydroxypent-3-en-1-yl]-6,7-dihydroxy-7-methyl-4,6-dihydro-3h-2-benzopyran-8-one
2-[5-(3-hydroxyprop-1-en-1-yl)-1-benzofuran-2-yl]-5-methoxyphenol
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-3,7-dimethylchromen-4-one
4,9-dihydroxy-1-(3-methylbut-2-en-1-yl)phenazin-5-ium-5-olate
(2r,3s,4r,5r,6s)-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
(1r,2s,6s,9r,10r,11r,12r,14s)-9,10,11-trihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-4-one
4-{5-[(1e)-3-hydroxyprop-1-en-1-yl]-1-benzofuran-2-yl}-3-methoxyphenol
6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid
4,5-dihydroxy-1-(5-oxo-2h-furan-2-yl)hex-2-en-1-yl 2-methylbut-2-enoate
6-methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one
(1s,2r,5s,9s,10s,11s,12s,13r)-2,11,12-trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(3s,3as,8r,10s,10ar)-3,8,10-trihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-4-carbaldehyde
3-{3,4-dihydroxy-5-[4-(prop-2-en-1-yl)phenoxy]phenyl}prop-2-enal
(1s,4r,7s,8r,11s,12s,13r)-4,13-dihydroxy-13-isopropyl-12-methyl-2,10-dioxatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecane-3,9-dione
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
1-(3,4-dihydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)ethanone
(1e,4e)-1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
1-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-3,4-dione
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(1e)-prop-1-en-1-yl]phenoxy}oxane-3,4,5-triol
1-o-glucopyranosylglycerol; beta-d-(2r)-form,3-ac
{"Ingredient_id": "HBIN002917","Ingredient_name": "1-o-glucopyranosylglycerol; beta-d-(2r)-form,3-ac","Alias": "NA","Ingredient_formula": "C11H20O9","Ingredient_Smile": "NA","Ingredient_weight": "296.27","OB_score": "NA","CAS_id": "92122-76-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9125","PubChem_id": "NA","DrugBank_id": "NA"}
3''-methoxyasparenydiol
{"Ingredient_id": "HBIN008819","Ingredient_name": "3''-methoxyasparenydiol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C#CC=CCOC2=CC=C(C=C2)O)O","Ingredient_weight": "296.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13838","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11738011","DrugBank_id": "NA"}
3-oxopseudoanisatin
{"Ingredient_id": "HBIN009435","Ingredient_name": "3-oxopseudoanisatin","Alias": "NA","Ingredient_formula": "C15H20O6","Ingredient_Smile": "CC1CC(=O)C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O","Ingredient_weight": "296.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16402","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101254354","DrugBank_id": "NA"}
4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009889","Ingredient_name": "4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14687","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009892","Ingredient_name": "4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β,8β,10β-trihydroxy-3-oxoeremophilenolide
{"Ingredient_id": "HBIN012246","Ingredient_name": "6\u03b2,8\u03b2,10\u03b2-trihydroxy-3-oxoeremophilenolide","Alias": "NA","Ingredient_formula": "C15H20O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anislactone a
{"Ingredient_id": "HBIN016185","Ingredient_name": "anislactone a","Alias": "NA","Ingredient_formula": "C15H20O6","Ingredient_Smile": "CC12CCC3(C1(CC(=O)O2)C(C4(C3(COC4=O)C)C)O)O","Ingredient_weight": "296.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "45267954","DrugBank_id": "NA"}
anislactone b
{"Ingredient_id": "HBIN016186","Ingredient_name": "anislactone b","Alias": "NA","Ingredient_formula": "C15H20O6","Ingredient_Smile": "CC12CCC3(C1(CC(=O)O2)C(C4(C3(COC4=O)C)C)O)O","Ingredient_weight": "296.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "132427619","DrugBank_id": "NA"}
