Exact Mass: 350.1729296
Exact Mass Matches: 350.1729296
Found 500 metabolites which its exact mass value is equals to given mass value 350.1729296,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(1R)-trans-Phenothrin
Fenugrin a, also known as sumithrin or phenothrin, (1s-cis)-isomer, is a member of the class of compounds known as pyrethroids. Pyrethroids are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group. Fenugrin a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fenugrin a can be found in fenugreek, which makes fenugrin a a potential biomarker for the consumption of this food product. Fenugrin a is a non-carcinogenic (not listed by IARC) potentially toxic compound. Following oral exposure, the treatment is symptomatic and supportive and includes monitoring for the development of hypersensitivity reactions with respiratory distress. Provide adequate airway management when needed. Gastric decontamination is usually not required unless the pyrethrin product is combined with a hydrocarbon. Following inhalation exposure, move patient to fresh air. monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. If the contamination occurs through dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Vitamin E topical application is highly effective in relieving parenthesis (L363) (T3DB). P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Vomilenine
C21H22N2O3 (350.16303419999997)
An indole alkaloid that is vinorine bearing a hydroxy substituent at position 21.
alatolide
A germacrane sesquiterpenoid laactone obtained by formal condensation of the carboxy group of isobutyric acid with the secondary hydroxy group of trihydroxygermaeranolide.
Arctiopicrin
Arctiopicrin belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Arctiopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctiopicrin can be found in burdock, which makes arctiopicrin a potential biomarker for the consumption of this food product.
cathenamine
C21H22N2O3 (350.16303419999997)
A yohimban alkaloid with formula C21H22N2O3, produced by Catharanthus roseus and Rauvolfia serpentina plant species.
4,4-Difluoropregn-5-ene-3,20-dione
C21H28F2O2 (350.20572519999996)
Perakine
C21H22N2O3 (350.16303419999997)
An indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-formyl group in place of the 20beta-ethyl side-chain. Raucaffrine is a natural product found in Rauvolfia serpentina and Rauvolfia sprucei with data available. Perakine?is an indole alkaloid with anti-inflammatory activities[1].
BML 284
C19H18N4O3 (350.13788380000005)
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils. (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils and herbs and spices.
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils and herbs and spices.
Millefin
Millefin is found in herbs and spices. Millefin is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Millefin is found in herbs and spices.
Eremopetasin sulfoxide
Eremopetasin sulfoxide is found in green vegetables. Eremopetasin sulfoxide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasin sulfoxide is found in green vegetables.
Calonectrin
Mycotoxin. of Calonectria nivalis Mycotoxin. of Calonectria nivali
trans-p-Menthane-1,7,8-triol 8-glucoside
trans-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices. trans-p-Menthane-1,7,8-triol 8-glucoside is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices.
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils and herbs and spices.
Ethyl apovincaminate
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
C19H18N4O3 (350.13788380000005)
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
Disofenin
C18H26N2O5 (350.18416260000004)
Strychnine N-oxide
C21H22N2O3 (350.16303419999997)
Paquinimod
C21H22N2O3 (350.16303419999997)
C308 - Immunotherapeutic Agent
Romergoline
Sibopirdine
5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one
Carthamoside A1
Carthamoside a1 is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Carthamoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carthamoside a1 can be found in safflower, which makes carthamoside a1 a potential biomarker for the consumption of this food product.
polyneuridine aldehyde
C21H22N2O3 (350.16303419999997)
Polyneuridine aldehyde is a member of the class of compounds known as macroline alkaloids. Macroline alkaloids are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids. Polyneuridine aldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Polyneuridine aldehyde can be found in a number of food items such as allspice, peach, italian sweet red pepper, and orange bell pepper, which makes polyneuridine aldehyde a potential biomarker for the consumption of these food products.
Vinpocetine
Vinpocetine is an alkaloid. It has a role as a geroprotector. Vinpocetine has been investigated for the treatment of Epilepsy. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C932 - Vinca Alkaloid Compound C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1907 - Drug, Natural Product D020011 - Protective Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.895 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.892 Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3]. Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3].
Strychnine N-Oxide
C21H22N2O3 (350.16303419999997)
A tertiary amine oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine.
(E)-2-Methoxy-6,6-dimethylchromeno-[2,3:4,3]-9-methoxychalcone
Vahlenin
2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
Eriolanin
Pseudostrychnine
C21H22N2O3 (350.16303419999997)
A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 16 has been replaced by a hydroxy group.
Arundinin
Arundinin is a natural product found in Pleione bulbocodioides, Pleione yunnanensis, and other organisms with data available.
1.Xi.,5.xi.,7.xi.,10.xi.-Ambros-11(13)-en-12-oic acid, 1,6,14-trihydroxy-4-oxo-, .gamma.-lactone,14-isobutyrate
6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione
(E,E)-5-[4-(Acetyloxy)-2-methyl-2-butenyl]-3-[5-(acetyloxy)-4-methyl-3-pentenyl]-2(5H)-furanone
6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
C21H22N2O3 (350.16303419999997)
Ethyl eburnamenine-14-carboxylate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids D020011 - Protective Agents
4,21-Dehydrocorynantheine aldehyde
C21H22N2O3 (350.16303419999997)
5beta-angeloyloxy-3a,4,5,6,7,7a-hexahydro-3abeta-methyl-1H-indene-2,4beta-dioic acid dimethyl ester
O3-Me,O1-(3-methyl-2-butenyl),di-Ac-3,5-Dihydroxy-4-methyl-1,2-benzenedimethanol
10-hydroxydecanoic acid 10-O-beta-D-glucopyranoside
3,7-dimethyl-1-octene-3,6,7-triol-6-O-beta-D-glucopyranoside|3,7-dimethyloct-1-ene-3,6,7-triol 6-O-beta-D-glucopyranoside
(1S,2S,4R,8R)-p-menthane-1,2,9-triol 2-O-beta-D-glucopyranoside
4-hydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethyl)cyclohex-2-en-1-yl]-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one|katsumadain
9beta-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D)
ent-15beta-fluoro-1beta,7alpha-dihydroxy-19-norkaur-16-ene-4beta,6beta-carbolactone
18-acetoxy nor fluorocurarine|18-Acetoxynorfluorocurarine
C21H22N2O3 (350.16303419999997)
9alpha-isobutyryloxy-4beta,5alpha-epoxydesacetyl laurenobiolide
1beta,10alpha-dihydroxy-6beta-[(2-methylpropyl)oxy]furanoeremophil-9-one|rel-(4S,4aS,5S,8R,8aR)-4,4a,5,6,7,8,8a-octahydro-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl 2-methylpropanoate
(-)-(1S,2R,3S,6R,9S,10R)-2alpha,3alpha-diacetoxy-9alpha-hydroxyamorpha-4,7(11)-dien-8-one
(2R,4S,5R,8S,10R)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide|(8S)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide
3beta,8alpha-dihydroxy-6beta-isobutyryloxyeremophil-1(10),7(11)-dien-12,8beta-olide
9beta,15-diacetoxygermacra-1(10),4-dien-11beta,13-dihydro-6alpha,12-olide
14-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1alpha,3beta-diacetoxyeudesm-4-en-6beta,11betaH-12,6-olide
3beta,8alpha-dihydroxyguaia-4(15),10(14)-dien-1alpha,5alpha,6beta,11betaH,12,6-olide 8-O-<2(S)-3-hydroxy-2-methylpropionate>
2H-pyran-[2,3:5,6]-1,6,7-trihydroxy-9-10-dihydrophenanthrene|paralycolin B
12-Hydroxystrychnine|4-hydroxy-strychnidin-10-one|4-Hydroxy-strychnin|4-hydroxy-strychnine|4-Hydroxystrychnin|4-Hydroxystrychnine
C21H22N2O3 (350.16303419999997)
2beta-ethoxy-2,3-dihydrohelenalin-6-O-acetate|2beta-ethoxy-6-O-acetyl-2,3-dihydrohelenalin
8-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6beta,7alpha,8alpha)-form-4,5-Epoxy-7,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide
2beta,4a,8xi-Trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibban-1alpha,10beta-dicarbonsaeure-1=>4a-lacton|2beta,4a,8xi-trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibbane-1alpha,10beta-dicarboxylic acid-1=>4a lactone|Gibberellin A(2)|Gibberellin-A(2)
2-Methylbutyric acid [3-[3-methoxy-4-(isobutyryloxy)phenyl]oxiranyl]methyl ester
10alpha-hydroxy-9alpha-isobutyryloxy-1alpha,4alpha-endoperoxyguaia-2,11(13)-dien-12,6alpha-olide
(1R,4S)-1,5-cyclo-5alpha-hydroxy-8alpha-isobutyryloxy-7alpha,10alpha-oxagermacran-12,6beta-olide
(1aR,4S,4aS,5S,5aS,6S,8aS,9aS)-octahydro-4,4a,6-trimethyl-7-oxo-5a,8a-epoxyoxireno[8,8a]naphtho[2,3-b]furan-5(9H)-yl 2-methylpropanoate|11alphaH-6beta-isobutyryloxy-1beta,10beta,7beta,8beta-diepoxyeremophilan-12,8alpha-olide
(-)-12,15-diacetoxy-6beta-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,12-diacetoxy-15-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,15-diacetoxy-12-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
4beta,15beta-dihydroxy-2a-isobutyryloxyguaiac-10(14),11(13)-dien-8beta,12-olide|minimolide G
3,3-dihydroxy-2-(p-hydroxybenzyl)-5-methoxybibenzyl
3,3-dihydroxy-4-(p-hydroxybenzyl)-5-methoxybibenzyl
(2S)-5,7-dimethoxy-8-(3-methylbut-1,3-dienyl)flavanone|tephroleocarpin B 5-methyl ether
3,5-dihydroxy-2-(p-hydroxybenzyl)-3-methoxybibenzyl
(4S,4aS,5S,8R,8aS)-4,4a,5,6,7,8,8a,9-octahydro-8,8a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
Spiro[furan-3(2H),2-[2H]inden]-2-one, 1,7-bis(acetyloxy)decahydro-3a,4-dimethyl-4-methylene-, [1R-(1.alpha.,2.alpha.,3a.alpha.,4.alpha.,7.beta.,7a.alpha.)]-
15-hdyroxy-8alpha-(3-hydroxy-isobutanoyloxy)-elemane-1,3,11(13)-trien-12,6-olide
15-hydroxy-strychnidin-10-one|15-hydroxy-strychnine|15-Hydroxystrychnin|15-Hydroxystrychnine
C21H22N2O3 (350.16303419999997)
19-methylene-ibogamine-18-carboxylic acid methyl ester|Coronaridin
3-methoxyxanthocillin X dimethyl ether
C21H22N2O3 (350.16303419999997)
ethyl 6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside|ethyl beta-D-thevetopyranosyl-(1->4)-beta-D-oleandropyranoside
5-Hydroxy-2-(8-phenyloctyl)-4H-1-benzopran-4-one|castanone
9-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6alpha,8alpha,9alpha)-4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide
2-O-beta-D-glucopyranosyl eucommiol|eucommioside|Eucommioside I|EucommiosideI
4alpha-[2-hydroxymethylacryloxy]-1beta-hydroxy-14-(5->6)abeoeremophilan-12,8-olide
16,19-Seco-strychnidin-10,16-dion|16,19-seco-strychnidine-10,16-dione|icajine|Pseudostrychnin
C21H22N2O3 (350.16303419999997)
11beta,13-Dihydro-8alpha-hydroxy-1alpha-<2-(hydroxymethyl)acryloyloxy>cyclocostunolid|11beta,13-Dihydro-8alpha-hydroxy-1alpha-[2-(hydroxymethyl)acryloyloxy]cyclocostunolid
1-acetyl-17,18-epoxy-cura-2(16),19-dien-17-ol|2,16-Dehydrodiabolin
C21H22N2O3 (350.16303419999997)
9alpha,14-dihydroxy-15-isobutyryloxy-costunolide|9alpha,14-dihydroxy-15-isobutyryloxycostunolide
(3E,6alpha,8beta)-6,14,15-trihydroxy-8-(2-methylacryloxy)germacra-3,11(13)-dieno-12,6-lactone|8alpha-methylacryloxy-14,15-dihydroxy-3(4),11(13)-germacradien-6,12-olide
benzastatin C
C19H27ClN2O2 (350.17609519999996)
A quinoline alkaloid that is 1,2,3,4-tetrahydroquinoline-6-carboxamide substituted by a chloro group at position 3 and a 3,4-dimethylpent-3-en-1-yl and a methoxymethyl group at position 2 (the 2R,3R stereoisomer). Isolated from the culture broth of Streptomyces nitrosporeus 30643, it exhibits inhibitory potential against lipid peroxidation and anti-HSV activity.
(1S,2S,4R)-p-Menth-1,2,8-triol 2-O-??-D-glucopyranoside|(1S,2S,4R)-p-menthane-1,2,8-triol 2-O-beta-D-glucopyranoside
(+)-12,13-epoxy-3alpha,8alpha-dihydroxytrichothec-9-en-4beta-yloxy isocrotonate|trichothecinol C
(2S)-2-amino-5-{[(Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]amino}{[(imino)methyl]amino}pentanoic acid
2-oxo-10alpha-peroxi-8beta-isobutyryloxyguaia-3,11(13)-dien-12,6alpha-olide
10-hydroxystrychnine|2-hydroxy-strychnidin-10-one|2-Hydroxy-strychnin|2-hydroxy-strychnine
C21H22N2O3 (350.16303419999997)
16-acetoxy-3,15-dimethyl-17-nor-cura-2(16),19-diene
1-[6-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,4-dihydroxy-3-methoxyphenyl]-2-hydroxyethanone
8-(2-Methylpropanoyl)-(1alpha,4beta,5beta,6beta,7alpha,8alpha,10alpha)-form-7,10-Epoxy-4,8-dihydroxy-11-guaien-12,6-olide
16, 17-dihydro-16alpha, 17-dihydroxy gibberellin A9
Vallesiachotamine
C21H22N2O3 (350.16303419999997)
Anticancer agent 96
Scandine
C21H22N2O3 (350.16303419999997)
CID 12082288 is a natural product found in Melodinus fusiformis with data available.
Millepachine
Millepachine is a bioactive natural chalcone from Chinese herbal medicine Millettia pachycarpa Benth, exhibits strong antitumor effects against numerous human cancer cells both in vitro and in vivo[1].
Isoarundinin II
Isoarundinin II is a natural product found in Pleione bulbocodioides, Pleione yunnanensis, and other organisms with data available.
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
phenothrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5809; ORIGINAL_PRECURSOR_SCAN_NO 5806 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5831; ORIGINAL_PRECURSOR_SCAN_NO 5829 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5834 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5839; ORIGINAL_PRECURSOR_SCAN_NO 5837 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10868; ORIGINAL_PRECURSOR_SCAN_NO 10863 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10984; ORIGINAL_PRECURSOR_SCAN_NO 10980
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_29.0\\%
2-(4-(tert-Butyl)phenoxy)cyclohexyl prop-2-yn-1-yl sulfite
Ala Ser Ser Ser
Gly Ser Ser Thr
Gly Ser Thr Ser
Gly Thr Ser Ser
Ser Ala Ser Ser
Ser Gly Ser Thr
Ser Gly Thr Ser
Ser Ser Ala Ser
Ser Ser Gly Thr
Ser Ser Ser Ala
Ser Ser Thr Gly
Ser Thr Gly Ser
Ser Thr Ser Gly
Thr Gly Ser Ser
Thr Ser Gly Ser
Thr Ser Ser Gly
2-Pyrrolidinone, 4-(2-morpholinoethyl)-3,3-diphenyl-
Eremopetasin sulfoxide
trans-p-Menthane-1,7,8-triol 8-glucoside
Calonectrin
Millefin
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
2,5-dibenzyl-hexahydro-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid methyl ester
(3S,4R)-1-BOC-3-HYDROXYMETHYL-4-(4-FLUOROPHENYL)-PIPERIDINE
C18H26N2O5 (350.18416260000004)
BENZYL 3-((TERT-BUTOXYCARBONYLAMINO)METHYL)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate
C17H26N4O4 (350.19539560000004)
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINEHYDROCHLORIDE
C18H26N2O5 (350.18416260000004)
TERT-BUTYL5-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YLCARBAMATE
(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine
C18H26N2O5 (350.18416260000004)
methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
C18H27FN2O2Si (350.18257339999997)
2-(4-BOC-PIPERAZINYL)-2-(3-METHOXY-PHENYL)ACETIC ACID
C18H26N2O5 (350.18416260000004)
tert-butyl (3R)-3-{[(benzyloxy)carbonyl]amino}-4-(hydroxyMethyl)
C18H26N2O5 (350.18416260000004)
BENZYL (3R,4R)-3-(TERT-BUTOXYCARBONYLAMINO)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
n6-(6-aminohexyl)-2-deoxyadenosine
C16H26N6O3 (350.20662860000004)
3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-allofuranose
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
BENZYL (3R,4R)-4-(TERT-BUTOXYCARBONYLAMINO)-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
C18H26N2O5 (350.18416260000004)
1H-Indole,1-[(2-ethyl-2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-(9CI)
C21H22N2O3 (350.16303419999997)
(E)-6-Nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
C19H18N4O3 (350.13788380000005)
2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
C17H15FN8 (350.14036419999996)
(6a,11b,16a)-6,9-Difluoro-11-hydroxy-16-methylandrosta-1,4-diene-3,17-dione
2-(2-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
C18H26N2O5 (350.18416260000004)
4-Cbz-1-Boc 2-(hydroxyMethyl)piperazine
C18H26N2O5 (350.18416260000004)
N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride
C17H14D5ClF3NO (350.14210489000004)
4,4,5,5-tetramethyl-2-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
9-Amino-N-(2-(4-morpholinyl)ethyl)-4-acridinecarboxamide
(S)-1-[3-(Cyclopropyl-Methyl-aMino)-propyl]-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
C22H23FN2O (350.17943199999996)
1,8-Diazaspiro[5.5]undecane-8-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
C16H25F3N2O3 (350.18171759999996)
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
C16H25F3N2O3 (350.18171759999996)
1H-Indole,1-[(2-ethyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-2-methyl-(9CI)
C21H22N2O3 (350.16303419999997)
benzyl (3R,4R)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
C18H26N2O5 (350.18416260000004)
4-(2-TERT-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-BUTYRIC ACID
C18H26N2O5 (350.18416260000004)
dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
D-Phenothrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose
1-O-benzyl 4-O-tert-butyl (2R)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
C18H26N2O5 (350.18416260000004)
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D004791 - Enzyme Inhibitors
3-Pyridinecarboxylic acid, 1-(2-(((diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydro-
C21H22N2O3 (350.16303419999997)
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
C21H22N2O3 (350.16303419999997)
Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 15-acetate, (3alpha)-
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
2-(2-Hydroxyphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinazoline
C24H18N2O (350.14190579999996)
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]succinate
1-[4-Carboxy-2-(3-pentylamino)phenyl]-5,5-DI(hydroxymethyl)pyrrolidin-2-one
C18H26N2O5 (350.18416260000004)
[5-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
Disofenin
C18H26N2O5 (350.18416260000004)
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-
C21H20NO4+ (350.13922600000006)
[(10S,12S,13E,14R,16S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C21H22N2O3 (350.16303419999997)
methyl (15alpha,16R,19E)-17-oxosarpagan-16-carboxylate
C21H22N2O3 (350.16303419999997)
[(1R,2R,10R)-10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
[(10S,12S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
C21H22N2O3 (350.16303419999997)
methyl (1R,10S,11S,12E,17S)-12-ethylidene-10-formyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10-carboxylate
C21H22N2O3 (350.16303419999997)
(1R,2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
methyl (15E)-15-ethylidene-13-formyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
C21H22N2O3 (350.16303419999997)
(2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
[3-Carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium
Ehretianone
An organic heterotetracyclic compound that is 9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione substituted by a hydroxy group at position 7, a methyl group at position 12 and a prenyl group at position 9a. Isolated from the root barks of Ehretia buxifolia, it exhibits antisnake venom activity.
N-{amino[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylene}-N-phenylurea
N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide
C21H22N2O3 (350.16303419999997)
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine
ethyl (41R,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
2-[(5-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
[(1R,2S,5R,6R,9R,10R,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (Z)-but-2-enoate
6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
[1-(2-Phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
1-[3-(Benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine
5-Benzyl-2,2-dimethyl-5-(4-vinylbenzyl)-1,3-dioxane-4,6-dione
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide
N-cyclopentyl-2-(2,3-dihydroindol-1-yl)-2-(4-methoxyphenyl)acetamide
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
C21H22N2O3 (350.16303419999997)
3-[5-(4-Fluorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
C21H22N2O3 (350.16303419999997)
2-methoxy-6-[4-(4-methyl-1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
N-butyl-4-[(Z)-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
C21H22N2O3 (350.16303419999997)
Isostrychnine N-oxide
C21H22N2O3 (350.16303419999997)
A monoterpenoid indole alkaloid with formula C21H22N2O3, originally isolated from the seeds of Strychnos nux-vomica.
2-[(6-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
Nonanedioic acid monoglycoside
A dicarboxylic acid monoester resulting from the formal condensation of the carboxy group of nonanedioic acid with the hydroxy group of hexopyranose.
N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-[(2S,5R,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5R,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2S,5S,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-cyclopropyl-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
[(3aS,4R,9bS)-4-(hydroxymethyl)-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyrazin-2-ylmethanone
2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
C18H26N2O5 (350.18416260000004)
N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
3-{2-[(1-Mesitylethyl)sulfanyl]-2-oxoethyl}-5-methylhexanoic acid
(9S,17R)-9-fluoro-6,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,11-trione
(4aR,5aR,8aS,13aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
C21H22N2O3 (350.16303419999997)
3,8,9-trimethoxy-5-methyl-5H-benzo[c]phenanthridin-5-ium-2-one
C21H20NO4+ (350.13922600000006)
D000970 - Antineoplastic Agents
(2,6-Diacetyloxy-6-deuterio-3,4,5-trimethoxyhexyl) acetate
4,5-Diphenyl-6-styryl-1,2-dihydropyrimidin-2-one
C24H18N2O (350.14190579999996)
(2,5-Diacetyloxy-1-deuterio-3,4,6-trimethoxyhexyl) acetate
Trichothecene analogue
A natural product found in Trichothecium speciesMSX 51320.
3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid
ABT-046
ABT-046 is a potent, selective, and orally active acyl CoA:diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of both 8 nM against human and mouse DGAT-1[1].