Exact Mass: 296.19874880000003
Exact Mass Matches: 296.19874880000003
Found 500 metabolites which its exact mass value is equals to given mass value 296.19874880000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Crocetindial
Crocetin dialdehyde is an apo carotenoid diterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8- and 8-positions. It is an enal, a dialdehyde and an apo carotenoid diterpenoid. Crocetin dialdehyde is a natural product found in Plectranthus barbatus with data available.
Exemestane
Exemestane is an oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive (also called hormone-receptor-positive, estrogen-responsive) breast cancer in postmenopausal women. It acts as a false substrate for the aromatase enzyme, and is processed to an intermediate that binds irreversibly to the active site of the enzyme causing its inactivation. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 661 D000970 - Antineoplastic Agents
17a-Ethynylestradiol
Ethinyl estradiol. A semisynthetic alkylated estradiol with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in oral contraceptives. -- Pubchem; estradiol (17-beta estradiol) (also oestradiol) is a sex hormone. Labelled the "female" hormone but also present in males it represents the major estrogen in humans. Critical for sexual functioning, estradiol also supports bone growth. -- Wikipedia; One of the fascinating twists to mammalian sexual differentiation is that estradiol is one of the two active metabolites of testosterone in males (the other being dihydrotestosterone). estradiol cannot be transferred readily from the circulation into the brain. Since fetuses of both sexes are exposed to similarly high levels of maternal estradiol, it can play little role in prenatal sexual differentiation. However, testosterone enters the central nervous system more freely and significant amounts are aromatized to estradiol within the brain of most male mammals, including humans. There is now much evidence that the programming of adult male sexual behavior in "lower mammals," (such as mounting rather than lordosis behavior), is largely dependent on estradiol produced in the central nervous system during prenatal life and early infancy from testosterone. We do not yet know whether this process plays a minimal or significant part in human sexual behaviors. -- Wikipedia; A synthetic form of estradiol, called ethinyl estradiol is a major component of hormonal contraceptive devices. Combined oral contraceptives contain ethinyl estradiol and a progestin, which both contribute to the inhibition of GnRH, LH, and FSH. The inhibition of these hormones accounts for the ability of combined oral contraceptives or birth control pills to prevent ovulation and thus prevent pregnancy. Other types of hormonal birth control contain only progestins and no ethinyl estradiol. -- Wikipedia. A synthetic form of estradiol, called ethinyl estradiol is a major component of hormonal contraceptive devices. 17alpha-ethynylestradiol is found in many foods, some of which are common walnut, ginkgo nuts, allspice, and papaya. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
3-HODE + 9-HODE
13-Hydroxyoctadecadienoic acid (13-HODE) (CAS: 18104-45-5), also known as 13(S)-hydroxy-9Z,11E-octadecadienoic acid or 13(S)-HODE, is the major lipoxygenation product synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. gamma-Linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation (PMID: 9561154). 13-HODE is considered an intermediate in linoleic acid metabolism. It is generated from 13(S)-HPODE via the enzyme lipoxygenase (EC 1.13.11.12). 13-HODE has been shown to be involved in cell proliferation and differentiation in a number of systems. 13-HODE is found to be produced by prostate tumours and cell lines and researchers believe that there is a link between linoleic acid metabolism and the development or progression of prostate cancer (PMID: 9367845).
9,10-Epoxyoctadecenoic acid
9,10-Epoxyoctadecenoic acid (9,10-EOA) is a peroxidation product of linoleic acid (LA). 9,10-EOA is a naturally occurring component of oxidized low density lipoprotein (LDL), the level of which increases with aging, atherosclerosis, and rheumatoid arthritis, perhaps due to an increase in 15-lipoxygenase and free oxygen radicals. 9,10-EOA is a proliferator-activated receptors (PPAR) gamma2 ligand, that is antiosteogenic without stimulating adipocyte differentiation. Studies in dogs suggest that 9,10-EOA has toxic cardiovascular effects. (PMID: 12665667, 12021203, 10667371).
alpha-Dimorphecolic acid
alpha-Dimorphecolic acid or 9(S)-HODE is an endogenous fatty acid (PPAR)gamma agonist synthesized in the body from linoleic acid. alpha-Dimorphecolic acid activates peroxisomal proliferator-activated receptor-gamma (PPAR)gamma in human endothelial cells increasing plasminogen activator inhibitor type-1 expression. Plasminogen activator inhibitor type-1 (PAI-1) is a major physiological inhibitor of fibrinolysis, with its plasma levels correlating with the risk for myocardial infarction and venous thrombosis. The regulation of PAI-1 transcription by endothelial cells (ECs), a major source of PAI-1, remains incompletely understood. Adipocytes also produce PAI-1, suggesting possible common regulatory pathways between adipocytes and ECs. Peroxisomal proliferator-activated receptor-gamma (PPAR)gamma is a ligand-activated transcription factor that regulates gene expression in response to various mediators such as 15-deoxy-delta12, 14-prostaglandin J2 (15d-PGJ2) and oxidized linoleic acid (9- and 13-HODE). alpha-Dimorphecolic acid is a ligand of the G protein-coupled receptor G2A (PMID: 10073956, 16647253, 16236715). alpha-Dimorphecolic acid inhibits the proliferation of NHEK cells by suppressing DNA synthesis and arresting the cell cycle in the G0/1-phase. alpha-Dimorphecolic acid-G2A signalling plays proinflammatory roles in the skin under oxidative conditions (PMID: 18034171). Present in plant and animal lipids as autoxidn. or lipoxygenase oxidn. production of linoleic acid.
10-Deoxymethynolide
A macrolide that consists of oxacyclododec-9-ene-2,8-dione bearing four methyl substituents at positions 3, 5, 7 and 11 as well as a hydroxy group at position 4 and an ethyl substituent at position 12. The aglycone of the macrolide antibiotic 10-deoxymethymycin.
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Cinchonamine
C19H24N2O (296.18885339999997)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.690 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.686 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.679 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682
12,13-EpOME
12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P [HMDB]. Vernolic acid is found in rice. 12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P.
Palonosetron
C19H24N2O (296.18885339999997)
Palonosetron (INN, trade name Aloxi) is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). It is the most effective of the 5-HT3 antagonists in controlling delayed CINV nausea and vomiting that appear more than 24 hours after the first dose of a course of chemotherapy and is the only drug of its class approved for this use by the U.S. Food and Drug Administration. As of 2008, it is the most recent 5-HT3 antagonist to enter clinical use. [wikipedia]
Hydrocinchonine
C19H24N2O (296.18885339999997)
Hydrocinchonine is found in fruits. Hydrocinchonine is an alkaloid from Olea europae
Avenoleic acid
Avenoleic acid is found in cereals and cereal products. Avenoleic acid is a constituent of oat seeds (Avena sativa) Constituent of oat seeds (Avena sativa). Avenoleic acid is found in oat and cereals and cereal products.
5-Methoxy-1,7-diphenyl-3-heptanone
5-Methoxy-1,7-diphenyl-3-heptanone is found in herbs and spices. 5-Methoxy-1,7-diphenyl-3-heptanone is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 5-Methoxy-1,7-diphenyl-3-heptanone is found in herbs and spices.
(Z)-13-Oxo-9-octadecenoic acid
(Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products. (Z)-13-Oxo-9-octadecenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products.
12-Hydroxy-8,10-octadecadienoic acid
12-Hydroxy-8,10-octadecadienoic acid is found in fruits. 12-Hydroxy-8,10-octadecadienoic acid is a constituent of the seeds of Elaeagnus angustifolia (Russian olive) Constituent of the seeds of Elaeagnus angustifolia (Russian olive). 12-Hydroxy-8,10-octadecadienoic acid is found in fruits.
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in herbs and spices. (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel). (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in tea and herbs and spices.
2-hydroxyimipramine
C19H24N2O (296.18885339999997)
2-hydroxyimipramine is a metabolite of imipramine. Imipramine (sold as Antideprin, Deprimin, Deprinol, Depsol, Depsonil, Dynaprin, Eupramin, Imipramil, Irmin, Janimine, Melipramin, Surplix, Tofranil), also known as melipramine, is an antidepressant medication, a tricyclic antidepressant of the dibenzazepine group. Imipramine is mainly used in the treatment of major depression and enuresis (inability to control urination). It has also been evaluated for use in panic disorder. (Wikipedia)
Tanacetol B
Tanacetol B is found in herbs and spices. Tanacetol B is a constituent of Tanacetum vulgare (tansy) Constituent of Tanacetum vulgare (tansy). Tanacetol B is found in herbs and spices.
17-alpha-ethinyl estradiol
17-alpha-ethinyl estradiol is a metabolite of mestranol. Mestranol is the 3-methyl ether of ethinylestradiol. It was the estrogen used in many of the first oral contraceptives. It is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70\\% (50 µg of mestranol is pharmacokinetically bioequivalent to 35 µg of ethinylestradiol). (Wikipedia)
(10E,12Z)-9-HODE
(10E,12Z)-9-HODE, also known as 9-Hydroxy-10E,12Z-octadecadienoic acid or 9-Hydroxylinoleic acid, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (10E,12Z)-9-HODE is considered to be practically insoluble (in water) and acidic. (10E,12Z)-9-HODE is an octadecanoid lipid molecule
(1S,17R)-17-Ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
C19H24N2O (296.18885339999997)
(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine
C19H24N2O (296.18885339999997)
17beta-Ethinylestradiol
2-Hydroxydesmethyltrimipramine
C19H24N2O (296.18885339999997)
Batelapine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
3-Piperidinamine, N-((2-methoxyphenyl)methyl)-2-phenyl-, (2R,3R)-
C19H24N2O (296.18885339999997)
Imipraminoxide
C19H24N2O (296.18885339999997)
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Palonosetron, (3R)-
C19H24N2O (296.18885339999997)
Dihydrocinchonine
C19H24N2O (296.18885339999997)
Dihydrocinchonine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocinchonine can be found in olive, which makes dihydrocinchonine a potential biomarker for the consumption of this food product.
[6]-Gingerdiol
AC1NQNFM is a member of the class of compounds known as gingerdiols. Gingerdiols are compounds containing a gingerdiol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-diol. AC1NQNFM is practically insoluble (in water) and a very weakly acidic compound (based on its pKa).
crocetin dialdehyde
Crocetin dialdehyde is a member of the class of compounds known as acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Crocetin dialdehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Crocetin dialdehyde can be found in a number of food items such as purple laver, sweet bay, rowanberry, and yellow wax bean, which makes crocetin dialdehyde a potential biomarker for the consumption of these food products.
dehydrokahweol
3-Hydroxy-5-methoxy-2-(3-methyl-2-butenyl)bibenzyl
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 9-acetate
7,8,9,10,11,11a-Hexahydro-11a-hydroxy-6-methyl-10-methylene-2-(1-methylethyl)-1H-cycloocta[de]naphthalene-1-one
5-Hydroxy-3-methoxy-2-(3-methyl-2-butenyl)bibenzyl
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
(20S)-Hydroxy-1,2-dehydropseudoaspidospermidine
C19H24N2O (296.18885339999997)
4-Hydroxy-3-methoxy-4-(3-methyl-2-butenyl)bibenzyl
3-Hydroxy-4-methoxy-4-(3-methyl-2-butenyl)bibenzyl
(+)-Vernolic acid
An optically active form of vernolic acid having (12S,13R)-configuration.
Propizepine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid
pregna-1,4,20-trien-3-one
A natural product found in Carijoa multiflora and Carijoa species.
4-methylidene-5-oxo-2-undecyloxolane-3-carboxylic acid
1beta,4beta-dihydroxy-3beta-acetoxygermacra-5E,10(14)-diene
4-methyl-19-norpregna-1,3,5(10),20-tetraen-1-ol|krempene B|krempenes B
(-)-2-methyl-butyric acid (2Z,6E)-8-acetoxy-2,6-dimethyl-octa-2,6-dienyl ester
dihydro-5-(7 -hydroxy-8-tetradecenyl)-2(3h)-furanone
5-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8-acetoxy-12-hydroxyfarnesol
(4E,9Z)-6beta-acetoxy-7alphaH-germacra-4,9-diene-1alpha,2beta-diol
(2beta,5beta)-aspidofractinin-16-ol
C19H24N2O (296.18885339999997)
8a-Ethyl-7,8,8a,9,10,11,12a,13-octahydroindolizino[8,1-ef][1]benzoazonine-6(5H)-one
C19H24N2O (296.18885339999997)
4beta,5alpha-epoxygermacr-1(10)E-en-2beta,6beta-diol 2-acetate
(6E,9E)5-acetoxy-11-hydroxy-9-en-10,11-dihydronerolidol|8-Ac-(6E,8S*,9E,10R*)-2,6,10-Trimethyl-3,6,11-dodecatriene-2,8,10-triol
1,8,11,13-cleistanthatetraen-3,7-dione|<5S,10S>-cleistantha-8,11,13-triene-3,7-dione|[5S,10S]-cleistantha-8,11,13-triene-3,7-dione
1-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|12-acetoxy-8-hydroxyfarnesol
Saprothoquinone
Saprothoquinone is a natural product found in Salvia hypargeia, Salvia montbretii, and Salvia prionitis with data available.
8-Ac -(1(10)E,4alpha,5alpha,6beta,8beta)-4,5-Epoxy-1(10)-germacrene-6,8-diol
(ent-13??)-4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone|ent-4,13xi-dihydroxy-15,16-bisnorpictan-5-one
12-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8,12-dihydroxyfarnesyl acetate
3(xi)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3(zeta)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3-hydroxy-octadeca-4(E),6(Z)-dienoic acid
1beta,5alpha-dihydroxy-6beta-acetoxyeudesm-4(15)-ene
1-(4-methoxyphenyl)-7-(4-hydroxyphenyl)-(E)-hept-2-ene
20-Epi-19,20-dihydro-decarbomethoxy vobasine
C19H24N2O (296.18885339999997)
(3S,6S)-3-acetoxy-2,2,6-trimethyl-6-([1S,4R]-4-hydroxy-4-methylcyclohex-2-en-1-yl)tetrahydropyran
(1SR,3aRS,8RS,11aSR,11bRS)-3a-amino-8-[(1R)-1-hydroxypropyl]-1-methyldecahydrofuro[3,2-c]pyrido[1,2-a]azepin-2(1H)-one|stemocochinamine
C16H28N2O3 (296.20998180000004)
2-[rel-(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-1-hydroxypropan-2-yl acetate|kachirachirain
(7E)-9-ketooctadec-7-enoic acid|7(E)-9-keto-octadec-7-enoic acid
10-acetoxy-3,7,11-trimethyldodeca-1,5,11-triene-3,7-diol
1beta-acetoxyl-4(15)-eudesmen-5alpha,11-diol|chrysanthemumol I
rel-(S,E)-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethylundeca-5,9-dien-2-ol
4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-3-methoxyphenol
5-(3-Methoxycarbonylbutyroyl)aminomethyl-cis-quinolizidine
C16H28N2O3 (296.20998180000004)
19-Norpregna-1,3,5(10),20-tetraen-3-yl Methyl Ether|3-methoxy-19-norpregna-1,3,5(10),20-tetraene
16,17-didehydro-9,17-dihydro-ibogamin-9alpha-ol
C19H24N2O (296.18885339999997)
Andragine|Andrangine|ent-6alpha,7alpha-epoxy-22-nor-vallesamidine
C19H24N2O (296.18885339999997)
(1S,5S,6S,9R,11S)-5,14-dimethoxy-12-hydroxycaryophyll-2(15)-en-7-one
1,2-dehydrogeissoschizoline
C19H24N2O (296.18885339999997)
An indole alkaloid that is the 1,2-dehydro derivative of geissoschizoline. Isolated from Geissospermum sericeum, it exhibits antiplasmodial activity.
methyl 3,6-epoxy-4R,8R-diethyl-6S-methyl-2Z-dodecenoate
trans-(2S)-2-<1-(4-methoxyphenyl)prop-2-yl>anethol|trans-(2S)-2-[1-(4-methoxyphenyl)prop-2-yl]anethol
1,5xi-Dimethyl-3xi-(3-methyl-[2]furyl)-5xi-[trans-2-(3-methyl-[2]furyl)-vinyl]-cyclohexen|1,5xi-dimethyl-3xi-(3-methyl-[2]furyl)-5xi-[trans-2-(3-methyl-[2]furyl)-vinyl]-cyclohexene|Diclansenan A+B|Diclausenan|diclausenan A, B
19-hydroxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid
(E)-6beta-acetoxy-7-alphaH-germacra-4,10(14)-diene-1alpha,2beta-diol
6beta-acetoxy-5betaH,7alphaH,10betaMe-eudesm-4(15)-ene-1alpha,2beta-diol
2-(3,7,11-trimethyldodeca-2,6,10-trienylthio)acetic acid
FA 18:2;O
2-hydroxylinoleic acid is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It is functionally related to a linoleic acid. alpha-Hydroxylinoleic acid is under investigation in clinical trial NCT04431258 (ABTL0812 in Combination With FOLFIRINOX for First-line Treatment of Metastatic Pancreatic Study). mTORC1/mTORC2/DHFR Inhibitor ABTL0812 is an orally bioavailable, lipid analogue and inhibitor of raptor-mammalian target of rapamycin (mTOR) (mTOR complex 1; mTORC1), rictor-mTOR (mTOR complex 2; mTORC2) and dihydrofolate reductase (DHFR) with potential antineoplastic activity. Upon oral administration, mTORC1/mTORC2/DHFR inhibitor ABTL0812 binds to and inhibits both mTORC1 and mTORC2, which may result in apoptosis and a decrease in proliferation in mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in some tumors; it plays an important role in the PI3K/Akt/mTOR signaling pathway which is often deregulated in cancer cells. In addition, ABTL0812 inhibits DHFR, an enzyme that reduces dihydrofolic acid to tetrahydrofolic acid, thereby blocking tetrahydrofolate synthesis, and resulting in both the depletion of nucleotide precursors and the inhibition of DNA, RNA and protein synthesis. This induces autophagy-induced cell death and further inhibition of cell proliferation. A 2-hydroxy fatty acid derived from linoleic acid. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Exemestane
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2242 CONFIDENCE standard compound; INTERNAL_ID 8738
13-HODE
A HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent.
Ethynyl estradiol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3065 EAWAG_UCHEM_ID 3065; CONFIDENCE standard compound Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Hydrocinchonine
C19H24N2O (296.18885339999997)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.680 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.675 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.674
Oxymetazoline hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
3-methoxy-2-(3-methylbut-2-enyl)-5-(2-phenylethyl)phenol
(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
vincanol
C19H24N2O (296.18885339999997)
Palonosetron
C19H24N2O (296.18885339999997)
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
13-HODE-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
12(13)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9-HODE
A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9(10)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Na-Desacetylisoretuline
C19H24N2O (296.18885339999997)
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid_major
9(R)-HODE
A 9-HODE in which the 9-hydroxy group has R-stereochemistry.
13(R)-HODE
A 13-HODE in which the stereocentre at position 13 has S-configuration.
Cinchotine
C19H24N2O (296.18885339999997)
L-Tryptophan,N-[N-(1-oxodecyl)-L-alanyl]-methyl ester
Vernolic acid
A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.
dimevamide
C19H24N2O (296.18885339999997)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
2-Propanol, 1-2-2-(2-aminoethyl)aminoethylaminoethylamino-3-phenoxy-
1-O-tert-butyl 4-O-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate
1-O-tert-butyl 3-O-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
formaldehyde,4-(2-methylbutan-2-yl)phenol,2-methyloxirane,oxirane
METHYL3-CHLORO-4-METHYLTHIOPHENE-2-CARBOXYLATE
C19H24N2O (296.18885339999997)
TERT-BUTYLN-[2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHYL]CARBAMATE
[2-amino-2-(2,4-dimethoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
[R-(R*,R*)]-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one
C19H24N2O (296.18885339999997)
1-Benzyl-4-phenylamino-4-(hydroxymethyl)piperidine
C19H24N2O (296.18885339999997)
2-(4-benzhydrylpiperazin-1-yl)ethanol
C19H24N2O (296.18885339999997)
(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYLBUTAN-1-OL
Phosphonium,tributyl(carboxymethyl)-, chloride (1:1)
4-tert-Octylphenyl-3,5-D2 Diethoxylate Solution, 1ug/ml in Acetone
3-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-2,2-dimethylbutane
C13H29O5P (296.17525140000004)
1-(2-BENZHYDRYLOXY-ETHYL)-PIPERAZINE
C19H24N2O (296.18885339999997)
4-[4-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
Ropinirole hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Ropinirole (SKF 101468) hydrochloride is an orally active, potent D3/D2 receptor agonist with a Ki of 29 nM for D2 receptor. Ropinirole hydrochloride has pEC50s of 7.4, 8.4 and 6.8 for hD2, hD3 and hD4 receptors, respectively. Ropinirole hydrochloride has no affinity for the D1 receptors. Ropinirole hydrochloride has the potential for Parkinson's disease[1][2].
buta-1,3-diene,2-methylprop-2-enamide,prop-2-enenitrile,styrene
C19H24N2O (296.18885339999997)
N-methyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-amine
(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
Diphenhydramine-d5 hydrochloride
C17H16D5NO.HCl (296.17036909000007)
tert-butyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
C16H28N2O3 (296.20998180000004)
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-acetyl-, 1,1-dimethylethyl ester
C16H28N2O3 (296.20998180000004)
13S-hydroxyoctadecadienoic acid
13-hydroxyoctadecadienoic acid (13-HODE) is synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. Gamma-linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation. (PMID 9561154) 13-HODE is considered an intermediate in Linoleic acid metabolism(KEGG ID C14762). It is generated from 13(S)-HPODE via the enzyme lipoxygenase [EC:1.13.11.12]. [HMDB]
1H-Benz[de]isoquinolin-1-one, 2-(3R)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, (3aR)-
C19H24N2O (296.18885339999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(4As,12as)-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydrochrysen-1(2h)-one
3-Oxo-N-[(3S)-2-oxopyrrolidin-3-YL]dodecanamide
C16H28N2O3 (296.20998180000004)
Imipraminoxide
C19H24N2O (296.18885339999997)
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine
C19H24N2O (296.18885339999997)
3-Piperidinamine, N-((2-methoxyphenyl)methyl)-2-phenyl-, (2R,3R)-
C19H24N2O (296.18885339999997)
n-[4-(Dimethylamino)naphthalen-1-yl]cyclohexanecarboximidamide
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
[(1R,4R,12S,13S,16S)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10,17-tetraen-17-yl]methanol
[3-carboxy-2-[(2E,4E,7E)-nona-2,4,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-nona-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-nona-3,5,7-trienoyl]oxypropyl]-trimethylazanium
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
C19H24N2O (296.18885339999997)
(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Noribogaine
C19H24N2O (296.18885339999997)
An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a hydroxy group. It is the primary (and long-lived) metabolite of ibogaine, the psychoactive indole alkaloid found in the African rainforest shrub Tabernanthe iboga.
(8R,9S,13S,14R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
C19H24N2O (296.18885339999997)
N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
N-cyclohexyl-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
2-[2-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol
C19H24N2O (296.18885339999997)
cyclobutyl-[(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
C19H24N2O (296.18885339999997)
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
5-Formyl-6-hydroxy-1,1,4a,6-tetramethyl-decahydronaphthalen-2-yl acetate
(10S,12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid
(8R,9R,10R,13R,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
(5S,6R,7S)-6-(Tert-butyldimethylsilyloxy)-5,7-dimethylnon-3-YN-2-one
isoleukotoxin
An optically active form of vernolic acid having (12R,13S)-configuration. D004791 - Enzyme Inhibitors
Laetisaric acid
A C18, straight-chain, hydroxy fatty acid composed of linoleic acid having an (R)-hydroxy group at the 8-position.
13(S)-HODE
An HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration).
9(S)-HODE
A 9-HODE in which the 9-hydroxy group has S-stereochemistry.
18-Hydroxylinoleic acid
An omega-hydroxy fatty acid that is linoleic acid in which one of the terminal methyl hydrogens has been replaced by a hydroxy group.
(S)-9-Hydroxy-10-trans,12-trans-octadecadienoic acid
(9R,10S)-9(10)-EpOME
A 9(10)-EpOME in which the epoxide has 9R,10S stereochemistry.
9(10)-EpOME
An EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
(1s)-1-hydroxy-3-isopropyl-8-methyl-13-methylidenetricyclo[7.5.1.0⁵,¹⁵]pentadeca-3,5(15),6,8-tetraen-2-one
2-{3-ethenyl-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}ethanol
C19H24N2O (296.18885339999997)
10,12-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
(3r,7r,8s)-7-ethyl-5-methyl-5,12-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-1(11),13,15,17-tetraen-10-one
C19H24N2O (296.18885339999997)
8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
(1s)-1-[(1r,15s,17s,18r)-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraen-17-yl]ethanol
C19H24N2O (296.18885339999997)
(4r,6s)-6-decyl-3-methylidene-2-oxooxane-4-carboxylic acid
8-ethyl-1,1,4a,7-tetramethyl-10,10a-dihydrophenanthrene-2,9-dione
(10s)-6,6,10-trimethyl-12-oxatetracyclo[9.7.0.0²,⁷.0¹³,¹⁸]octadeca-1(11),2(7),13,15,17-pentaen-16-ol
(1r,2s,3ar,4r,7s,7ar)-1-acetyl-4-hydroxy-7-isopropyl-4-methyl-octahydroinden-2-yl acetate
5,6-dihydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl acetate
(15r,17r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-ol
C19H24N2O (296.18885339999997)
methyl 2-[5-(dec-9-en-1-yl)-2-oxooxolan-3-yl]acetate
(1r,2s,4r,7r,8s,10r,11r)-2,11-dihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0⁴,¹¹]undecan-8-yl acetate
[(1z,6r,7r,8s)-6,7-dihydroxy-8-isopropyl-5-methylidenecyclodec-1-en-1-yl]methyl acetate
(1s)-3-[(3r,4r)-3-ethenylpiperidin-4-yl]-1-(quinolin-4-yl)propan-1-ol
C19H24N2O (296.18885339999997)
7,8-dihydroxy-6-isopropyl-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
(1r,2e,5r,6r,7z,10s)-5,6-dihydroxy-10-isopropyl-3,7-dimethylcyclodeca-2,7-dien-1-yl acetate
3,3'-dimethyl-8'-methylidene-5'-(prop-1-en-2-yl)-5',6',7',8'a-tetrahydro-4'ah-spiro[cyclopentane-1,1'-naphthalen]-3-ene-2,2'-dione
2-isopropyl-6-methyl-5-(4-methylpent-4-en-1-yl)naphthalene-1,4-dione
(1s,9r,16r,18s,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-trien-18-ol
C19H24N2O (296.18885339999997)