Exact Mass: 350.18171759999996
Exact Mass Matches: 350.18171759999996
Found 500 metabolites which its exact mass value is equals to given mass value 350.18171759999996,
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].
(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.
5,12,18R-TriHEPE
This compound belongs to the family of Leukotrienes. These are eicosanoids containing an hydroxyl group attached to the aliphati chain of an arachidonic acid.
Ethyl apovincaminate
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
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.
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.
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>
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
(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.
[(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
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)
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
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)
(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)
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)
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
3,4-Dihydro-6,8-dihydroxy-3-(10-hydroxyundecyl)isocoumarin
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
(5E,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
Disofenin
C18H26N2O5 (350.18416260000004)
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid
A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18S-stereoisomer).
8-iso-15-keto-PGE2
8-iso-15-keto-PGE2 is an isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states (PMID: 14504139). Dinoprostone is a naturally occurring prostaglandin E2 (PGE2) and the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). PGE2 has been shown to increase vasodilation and cAMP production, to enhance the effects of bradykinin and histamine, to induce uterine contractions and to activate platelet aggregation. PGE2 is also responsible for maintaining the open passageway of the fetal ductus arteriosus; decreasing T-cell proliferation and lymphocyte migration and activating the secretion of IL-1alpha and IL-2. PGE2 exhibits both pro- and anti-inflammatory effects, particularly on dendritic cells (DC). Depending on the nature of maturation signals, PGE2 has different and sometimes opposite effects on DC biology. PGE2 exerts an inhibitory action, reducing the maturation of DC and their ability to present antigen. PGE2 has also been shown to stimulate DC and promote IL-12 production when given in combination with TNF-alpha. PGE2 is an environmentally bioactive substance. Its action is prolonged and sustained by other factors especially IL-10. It modulates the activities of professional DC by acting on their differentiation, maturation and their ability to secrete cytokines. PGE2 is a potent inducer of IL-10 in bone marrow-derived DC (BM-DC), and PGE2-induced IL-10 is a key regulator of the BM-DC pro-inflammatory phenotype (PMID: 16978535). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 8-iso-15-keto-PGE2 is an isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states. (PMID: 14504139)
(3E)-3-[2-[(8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
[(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
(5S)-hydroperoxy-18-hydroxy-EPE
An icosanoid that is (6E,8Z,11Z,14Z,16E)-icosa-6,8,11,14,16-pentaenoic acid substituted at positions 5S and 18 by hydroperoxy and hydroxy groups respectively.
2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-
(E)-7-[3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
(5S)-Hydroperoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate
(Z)-7-[(1R,3R)-3-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic 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
(5Z)-5-[5-hydroxy-4-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
(2E,6E)-8-{[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-2,6-dimethylocta-2,6-dienoic acid
A natural product found in Anarrhinum orientale.
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
rel-(-)-(1S,4S,7S,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 7. It has been isolated from the leaves of Croton gratissimus.
rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 7. It has been isolated from the leaves of Croton gratissimus.
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
(7E,11E)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione
6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
1-[3-(Benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine
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)
rel-(+)-(1S,4R,8S,10R)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 8. It has been isolated from the leaves of Croton gratissimus.
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-[(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-[(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)
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-[(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
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
3-{2-[(1-Mesitylethyl)sulfanyl]-2-oxoethyl}-5-methylhexanoic acid
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic 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)
(3E)-4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
(2,6-Diacetyloxy-6-deuterio-3,4,5-trimethoxyhexyl) acetate
(2,5-Diacetyloxy-1-deuterio-3,4,6-trimethoxyhexyl) acetate
15-dehydro-prostaglandin D2
The 15-dehydro derivative of prostaglandin D2.
5S-hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Prostaglandin D3
A member of the class of prostaglandins D that is prosta-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,13E,15S,17Z-stereoisomer).
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
Prostaglandin H3
A member of the class of prostaglandins H that is 9,11-epidioxyprosta-5,13,17-trienoic acid carrying an additional hydroxy substituent at the 15S-position.
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].
(1r,9r,12s)-6,9,12-trihydroxy-5-isopropyl-1,10,10-trimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6-triene-3-carboxylic acid
(1r,2s,5r,8r,9r,10r,11s,12s,13s,16s)-8,9,12-trihydroxy-2,10,16-trimethyl-6-methylidene-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-3,15-dione
{6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-hexahydro-3ah-azuleno[4,5-b]furan-6-yl}methyl 2-methylpropanoate
9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybut-2-enoate
(1s,2r,6r,8s,9s,10r,12r,13r,16r)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadec-4-ene-3,15-dione
(2e)-4-{3-[(1e)-hept-1-en-1-yl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methylbut-2-enoic acid
10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 3-hydroxy-2-methylpropanoate
(2s)-2-[(4r,5s)-5-[3-(acetyloxy)prop-1-en-2-yl]-4-ethenyl-4-methyl-3-oxocyclohex-1-en-1-yl]-2-hydroxypropyl acetate
methyl (1s,12s,13r,14r,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)
methyl (1s,12s,14r,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)
(3ar,4s)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 3-hydroxy-2-methylpropanoate
6-butoxy-9,11-dihydroxy-10-methoxy-4-methyl-1,4,5,6-tetrahydro-3-benzoxecin-2-one
2-{2-[4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,9s,10r,11r,17s)-8,12-diacetyl-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraene-10-carbaldehyde
C21H22N2O3 (350.16303419999997)
(4s,4ar,5r,6s,9ar)-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(3s,3ar,4s,9r,11ar)-4-(acetyloxy)-3,6,10-trimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(3ar,4as,5s,7s,7as,8r,9as)-5-(acetyloxy)-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl acetate
[(3as,5r,11ar)-5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
8,8a-dihydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(1s,2s,3s,4r,8r,9r,10r,11r)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.0²,¹⁰.0⁴,⁸]tetradecan-9-yl 2-methylpropanoate
{9a-hydroxy-6a-methyl-3-methylidene-2,9-dioxo-hexahydro-3ah-azuleno[4,5-b]furan-6-yl}methyl 2-methylpropanoate
13-hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadec-5-ene-4,11-dione
4-hydroxy-3-[(1r,6r)-6-isopropyl-3-methylcyclohex-2-en-1-yl]-6-[(1e)-2-phenylethenyl]pyran-2-one
(2r,3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-2-(4-methoxyphenyl)-1,1-dimethyl-4-[(3-methylbut-2-enoyl)oxy]pyrrolidin-1-ium
[C19H28NO5]+ (350.19673780000005)
(1s,2s,5r,7s,8r,9r,10r,13r,16r,17s)-7-fluoro-9,16-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one
6-hydroxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one
C21H22N2O3 (350.16303419999997)
(2s)-2-amino-5-[({[(2z)-1-hydroxy-3-(4-hydroxyphenyl)-2-methoxyprop-2-en-1-ylidene]amino}methanimidoyl)amino]pentanoic acid
10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid
[5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
13-hydroxy-12-methyl-11-oxo-10,14-dioxapentacyclo[11.2.2.1¹,⁹.0²,⁷.0¹²,¹⁸]octadecan-6-yl acetate
(4s,6r)-6-butoxy-9,11-dihydroxy-10-methoxy-4-methyl-1,4,5,6-tetrahydro-3-benzoxecin-2-one
6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3ah,4h,5h,10h,11h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(1'r,2s,2's,4's,8'r,9'r)-9'-(acetyloxy)-3',3'-dimethyl-10'-oxaspiro[oxirane-2,7'-tricyclo[6.4.0.0²,⁴]dodecan]-11'-en-12'-ylmethyl acetate
2-[(2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-[3-(hept-1-en-1-yl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
(3ar,4r,6r,6ar,9ar,9br)-6-hydroperoxy-6,9-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
methyl (13z)-13-ethylidene-18-formyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
C21H22N2O3 (350.16303419999997)
methyl 2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate
2-[(4,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3ar,4s,6r,11as)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
(1r,10s,12r,13r,14s,16s,17s,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)
(2r,3r,4s,5s,6r)-2-{[(1r,2r)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1,6-bis(acetyloxy)-3,4,5-trimethoxyhexan-2-yl acetate
[9-(acetyloxy)-6-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9a-yl]methyl acetate
2-[(4r,5s,8r,8ar)-4-(acetyloxy)-3-(hydroxymethyl)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1h-azulen-5-yl]prop-2-en-1-yl acetate
methyl (2r,12bs)-2-[(2z)-1-oxobut-2-en-2-yl]-1h,2h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine-3-carboxylate
C21H22N2O3 (350.16303419999997)
4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl acetate
4-[(3ar,7s,8ar)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-yl]-4-(acetyloxy)butan-2-yl acetate
(1's,2s,2'r,4's,7'r,9'r,10'r,11's)-4',10'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z)-but-2-enoate
8,12-diacetyl-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraene-10-carbaldehyde
C21H22N2O3 (350.16303419999997)