Exact Mass: 344.2351
Exact Mass Matches: 344.2351
Found 357 metabolites which its exact mass value is equals to given mass value 344.2351,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Medroxyprogesterone
Medroxyprogesterone, or MP is a progestin (synthetic progestogen). MP is not used medically, as it is over two orders of magnitude less potent than medroxyprogesterone acetate (MPA); a derivative of MP (PMID: 16784762). MP may be formed via the metabolism of MPA. Medroxyprogesterone acetate is used to treat conditions such as absent or irregular menstrual periods, or abnormal uterine bleeding. Synthetic progestogens are widely used to simulate the effects of progesterone; a natural female sex hormone. Progesterone is essential for endometrial receptivity, embryo implantation, and the successful establishment of pregnancy. A low progesterone concentration or an insufficient response to progesterone can cause infertility and pregnancy loss (PMID: 20104424). In addition to progestagenic activity, MP is also a weak antiandrogen in vitro (PMID: 29990947). Medroxyprogesterone is only found in individuals that have used or taken MPA. A synthetic progesterone (steroid hormone) involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. -- Wikipedia G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AB - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Testosterone Propionate
Testosterone Propionate is only found in individuals that have used or taken this drug. It is an ester of testosterone with a propionate substitution at the 17-beta position. [PubChem]The effects of testosterone in humans and other vertebrates occur by way of two main mechanisms: by activation of the androgen receptor (directly or as DHT), and by conversion to estradiol and activation of certain estrogen receptors. Free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5α-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5α-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Medrysone
Medrysone is only found in individuals that have used or taken this drug. It is a corticosteroid used in ophthalmology. [Wikipedia]There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Initially, the drug binds to the glucocorticoid receptor in the cytosol. This migrates to the nucleus and binds to genetic elements which cause activation and repression of the involved genes in the inflammatory pathway. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Same as: D02289
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
17-hydroxy-17-methylandrosta-4,6-dien-3-yl acetate
(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxydocosahexaenoic acid
A HDoHE obtained by hydroxylation at position 2 of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
Methenolone Acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
17(R)-HDHA
Docosahexaenoic acid (DHA) is a omega-3 essential fatty acid that reduces the incidence and severity of a number of diseases. Recently, a novel series of DHA-derived lipid mediators with potent protective actions has been identified. In this study we demonstrate that dietary amplification of these DHA-derived products protects the liver from necroinflammatory injury. In vitro, supplementation of hepatocytes with DHA significantly reduced hydrogen peroxide-induced DNA damage, evaluated by the "comet assay," and oxidative stress, determined by measurement of malondialdehyde levels. In vivo, dietary supplementation of mice with DHA ameliorated carbon tetrachloride-induced necroinflammatory damage. In addition, hepatic cyclooxygenase-2 expression and PGE2 levels were significantly reduced in mice fed DHA-enriched diets. In these animals, increased hepatic formation of DHA-derived lipid mediators (i.e., 17S-hydroxy-DHA (17S-HDHA) and protectin D1) was detected by HPLC-gas chromatography/mass spectrometry analysis. Consistent with these findings, synthetic 17-HDHA abrogated genotoxic and oxidative damage in hepatocytes and decreased TNF-alpha release and 5-lipoxygenase expression in macrophages. In a transactivation assay, 17-HDHA acted in a concentration-dependent manner as a PPARgamma agonist. Taken together, these findings identify a potential role for DHA-derived products, specifically 17S-HDHA and protectin D1, in mediating the protective effects of dietary DHA in necroinflammatory liver injury. (PMID: 17056761). This fatty acyl belongs to the main class of docosanoids. (Lipid Maps). Docosahexaenoic acid (DHA) is a omega-3 essential fatty acid that reduces the incidence and severity of a number of diseases. Recently, a novel series of DHA-derived lipid mediators with potent protective actions has been identified. In this study we demonstrate that dietary amplification of these DHA-derived products protects the liver from necroinflammatory injury. In vitro, supplementation of hepatocytes with DHA significantly reduced hydrogen peroxide-induced DNA damage, evaluated by the "comet assay," and oxidative stress, determined by measurement of malondialdehyde levels. In vivo, dietary supplementation of mice with DHA ameliorated carbon tetrachloride-induced necroinflammatory damage. In addition, hepatic cyclooxygenase-2 expression and PGE2 levels were significantly reduced in mice fed DHA-enriched diets. In these animals, increased hepatic formation of DHA-derived lipid mediators (i.e., 17S-hydroxy-DHA (17S-HDHA) and protectin D1) was detected by HPLC-gas chromatography/mass spectrometry analysis. Consistent with these findings, synthetic 17-HDHA abrogated genotoxic and oxidative damage in hepatocytes and decreased TNF-alpha release and 5-lipoxygenase expression in macrophages. In a transactivation assay, 17-HDHA acted in a concentration-dependent manner as a PPARgamma agonist. Taken together, these findings identify a potential role for DHA-derived products, specifically 17S-HDHA and protectin D1, in mediating the protective effects of dietary DHA in necroinflammatory liver injury. (PMID: 17056761)
20-HDoHE
20-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 20-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
4-HDoHE
4-HDoHE is an endogenous oxidized unsaturated fatty acids. Human and mouse plasma samples also catalyzed 4-HDoHE lactonization and 5-HETE lactone hydrolysis. (PMID: 12963475) 4-HDoHE is a hydroxydocosahexaenoic acid that consists of 5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 4-hydroxy substituent. (CHEBI:72624)
7-HDoHE
7-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 7-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
8-HDoHE
8-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 8-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
16-HDoHE
16-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 16-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
11-HDoHE
11-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 11-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
10-HDoHE
10-HDoHE is an autoxidation product of docosahexaenoic acid (DHA) in vitro. It is also produced from incubations of DHA in rat liver, brain, and intestinal microsomes. (±)10-HDoHE is a potential marker of oxidative stress in brain and retina where DHA is an abundant polyunsaturated fatty acid. (http://bioreagent.bertinpharma.com)
3-Hydroxyneogrifolin
3-Hydroxyneogrifolin is found in mushrooms. 3-Hydroxyneogrifolin is a constituent of Albatrellus ovinus. Constituent of Albatrellus ovinus. 3-Hydroxyneogrifolin is found in mushrooms.
Anacardic acid
Anacardic acid is found in cashew nut. Anacardic acid is found in cashew nut shell.Anacardic acids are chemical compounds found in the shell of the cashew nut (Anacardium occidentale). Chemically, anacardic acid is a mixture of several closely related organic compounds. Each consists of a salicylic acid substituted with an alkyl chain that has 15 or 17 carbon atoms; anacardic acid is a mixture of saturated and unsaturated molecules. The exact mixture depends on the species of the plant and the major component is C5:3 all-Z. (Wikipedia Found in cashew nut shell
19(20)-EpDPE
19(20)-EpDPE is a DHA epoxygenase metabolite, derived via epoxidation of the w-3 double bond of DHA. The EDHF (endothelium-derived hyperpolarizing factor) activity of 19(20)-EpDPE has not yet been determined. The epoxygenase metabolites of DHA have also been detected in a murine inflammation model (PMID: 12391014). EDHF is an unidentified mediator released from vascular endothelial cells in response to acetylcholine and bradykinin which is distinct from the NOS- (nitric oxide) and COX-derived (prostacyclin) vasodilators (PMID: 9504399, 10519554). Cytochrome P450 (CYP450) metabolism of polyunsaturated fatty acids produces epoxides such as 14(15)-EpETrE which are prime candidates for the actual active mediator (PMID: 9401962). However, the CYP450 metabolites of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) have been little studied relative to arachidonate epoxygenase metabolites. 19(20)-EpDPE is a DHA epoxygenase metabolite, derived via epoxidation of the w-3 double bond of DHA. The EDHF activity of 19(20)-EpDPE has not yet been determined. The epoxygenase metabolites of DHA have also been detected in a murine inflammation model
16(17)-EpDPE
16(17)-EpETE is the DHA homolog of 14(15)-EpETrE, derived via epoxidation of the 16,17-double bond of docosahexaenoic acid (DHA). The EDHF (endothelium-derived hyperpolarizing factor) activity of 16(17)-EpDPE has not yet been determined. The epoxygenase metabolites of DHA have also been detected in a murine inflammation model (PMID: 12391014). EDHF is an unidentified mediator released from vascular endothelial cells in response to acetylcholine and bradykinin which is distinct from the NOS- (nitric oxide) and COX-derived (prostacyclin) vasodilators (PMID: 9504399, 10519554). Cytochrome P450 (CYP450) metabolism of polyunsaturated fatty acids produces epoxides such as 14(15)-EpETrE which are prime candidates for the actual active mediator (PMID: 9401962). However, the CYP450 metabolites of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) have been little studied relative to arachidonate epoxygenase metabolites. EDHF (endothelium-derived hyperpolarizing factor) is an unidentified mediator released from vascular endothelial cells in response to acetylcholine and bradykinin which is distinct from the NOS- (nitric oxide) and COX-derived (prostacyclin) vasodilators.1,2 Cytochrome P450 (CYP450) metabolism of polyunsaturated fatty acids produces epoxides such as 14(15)-EpETrE which are prime candidates for the actual active mediator.3 However, the CYP450 metabolites of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) have been little studied relative to arachidonate epoxygenase metabolites. 16(17)-EpETE is the DHA homolog of 14(15)-EpETrE, derived via epoxidation of the 16,17-double bond of docosahexaenoic acid (DHA). The EDHF activity of 16(17)-EpDPE has not yet been determined. The epoxygenase metabolites of DHA have also been detected in a murine inflammation model [HMDB]
(±)14-HDHA
14-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 14-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
4-Hydroxy-all-trans-retinyl acetate
This compound belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol.
methoxyprogesterone
(8R,9S,10R,13S,14S,16R,17S)-16-Ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
(1R*,3E,7E,9S*,11S*)-9-acetoxydolabella-3,7,12-trien-16-al
2-(4,8-dimethylnona-3,7-dienyl)-3,4-dihydro-2,7-dimethyl-2H-[1]benzopyran-3,5-diol
3beta-acetoxy-8,11,13-abietatrien-12-ol|3beta-acetoxyabieta-8,11,13-trien-12-ol
19-Acetoxy-12,17-epoxy-14alpha-methyl-15-nor-pimara-12,16-dien|19-acetoxy-12,17-epoxy-14alpha-methyl-15-nor-pimara-12,16-diene
12-O-acetyl-18-hydroxyferruginol|O-Acetyl-18-hydroxyferruginol
bacchalineol acetate|bacchalineol-18-acetate|Hardwickiolacetat
5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-2,7-dodecadien-9-onyl]-1,4-dihydroxybenzene
18-Acetoxy-3,13(16),14-clerodatrien-2-one|2-oxo-18-acetoxy-10alpha,17alpha,19alpha,20beta-(-)-cleroda-3,13(16),14-triene
5-methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6-dodecadien-9-onyl]-1,4-dihydroxybenzene
6-alpha-acetoxyvouacapane|6alpha-Acetoxyvouacapane
7(R*)-acetoxy-13-keto-(1S*,11R*)-dolabella-3(E),8(17),12(18)-triene|Ac-7-Hydroxy-3,8(17),12(18)-dolabellatrien-13-one
(4S*,14S*)-4-acetoxy-14-hydroxydolasta-1(15),7,9-triene|4(SR)-acetoxy-14(SR)-hydroxydolast-1(15),7,9-triene
3(R)-acetoxy-1(S),11(R),12(S)-dolabell-4(E),8(E),18-trien-16-al
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
2-methyl-2-((3E)-4,8-dimethylnona-37-dienyl)-3,4-dihydro-2H-1-benzopyran-8-methoxy-6-ol
(1R,3E,7E,11S,12S)-17-acetoxy-14-oxo-3,7,18-dolabellatriene
(1R,3E,6R,7E,11S,12S)-6-acetoxy-14-oxo-3,7,18-dolabellatriene
(1R,3E,5R,7E,11S,12S)-5-acetoxy-14-oxo-3,7,18-dolabellatriene
17-oxo-3,4-seco-9betaH?17-octanorlanost-4(28),7-dien-3-oic acid|seco-coccinic acid H
(1R,3E,7S,11S,12S)-7-acetoxy-14-oxo-3,8(17),18-dolabellatriene
3alpha,4alpha-epoxy-5alpha-acetoxysphenoloba-13Z,16E,18-triene
15,16-epoxy-ent-labda-8(17),13(16),14-trien-19-ol acetate
Me ether-(9beta,10alpha,16alpha)-16-Hydroxypregn-4-ene-3,20-dione
7beta-hydroxy-12-acetoxyabieta-8,11,13-triene|fortunin A
Me ester-(17alphaOH)-17-Hydroxypregn-4-ene-3,20-dione
15-ethoxy-8,11,13-abietatriene-18-oic acid|8,11,13-abietatriene-15-ethoxy-18-oic acid|abiesadine P
17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MLS001076155-01!6ALPHA-METHYL-11BETA-HYDROXYPROGESTERONE
Medroxyprogesterone - CASMI2016 Category 1 - Challenge 13
2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
medroxyprogesterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AB - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 8739
ST 22:3;O3
CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10301; ORIGINAL_PRECURSOR_SCAN_NO 10299 C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10334; ORIGINAL_PRECURSOR_SCAN_NO 10329 CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10348; ORIGINAL_PRECURSOR_SCAN_NO 10343 CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10391; ORIGINAL_PRECURSOR_SCAN_NO 10386 CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10401; ORIGINAL_PRECURSOR_SCAN_NO 10399 CONFIDENCE standard compound; INTERNAL_ID 1391; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10415; ORIGINAL_PRECURSOR_SCAN_NO 10413 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AB - Progestogens D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2395 INTERNAL_ID 2395; CONFIDENCE standard compound
8-HDoHE
A hydroxydocosahexaenoic acid that consists of 4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 8-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0120.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_1min0120.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_1min0120.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_0001273.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_0001273.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_0001273.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_0001273.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_0001273.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_0001273.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
16-HDoHE
A hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoic acid bearing an additional 16-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0112.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] 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_1min0112.mzML CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0112.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_1min0112.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_0001271.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_0001271.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_0001271.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_0001271.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_0001271.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_0001271.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
11-HDoHE
A hydroxydocosahexaenoic acid that consists of 4Z,7Z,9E,13Z,16Z,19Z-docosahexaenoic acid with the hydroxy group located at position 11. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0079.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_1min0079.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_1min0079.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_0001275.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_0001275.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_0001275.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_0001275.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_0001275.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_0001275.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
10-HDoHE
A hydroxydocosahexaenoic acid that consists of 4Z,7Z,11E,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 10-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0239.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_1min0239.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_1min0239.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_0001269.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_0001269.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_0001269.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_0001269.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_0001269.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_0001269.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one [IIN-based: Match]
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-23,24-dinor-5,7,10(19)-cholatrien-22-one
17(R)-HDoHE
A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17R-position.
17(S)-HDoHE
A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17S-position. It is a metabolite of docosahexaenoic acid in human blood and mouse brain, and serves as a precursor to 17(S)-resolvins.
7Z,10Z,13Z,15E,19Z-17-keto-docosapentaenoic acid
3-Hydroxyneogrifolin
1alpha-hydroxy-22-oxo-23,24,25,26,27-pentanorvitamin D3
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dienyl]benzoic acid
3-Methoxy-18-methylestra-2,5(10)dien-17-one 17-ethylene ketal
Pregn-5-en-20-one,16,17-epoxy-3-hydroxy-16-methyl-, (3b,16a)-
3-ETHOXY-6-METHYL-3,5-ANDROSTADIENE-11-BETA-OL-17-ONE
4-tert-butylphenol,formaldehyde,4-(2-methylbutan-2-yl)phenol
17beta-Hydroxy-5alpha-androst-1-en-3-one propionate
3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde
(4Z,7Z,10Z,13Z,16Z)-18-[(2R,3S)-3-ethyloxiran-2-yl]octadeca-4,7,10,13,16-pentaenoic acid
(4s,5e,7z,10z,13z,16z,19z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoic Acid
Medrysone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Same as: D02289
[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate
16 alpha-Ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
(13E,15E,17E,19E)-20-(oxiren-2-yl)icosa-13,15,17,19-tetraenoic acid
Strongylin A
A sesquiterpenoid that is 1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthene substituted by a hydroxy group at position 12, methyl groups at positions 4, 4, 7 and 7a and a methoxy group at position 9 (the 4aS,7S,7aR,13aS stereoisomer). Isolated from Strongylophora hartmani, it exhibits activity against the influenza virus.
(7Z,10Z,13Z,15E,19Z)-17-Oxodocosapentaenoic acid
A docosanoid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying an oxo substituent at position 17. An intermediate of specialised proresolving mediators.
(7Z,10Z,14E,16Z,19Z)-13-Oxodocosapentaenoic acid
An docosanoid that is (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 13. An intermediate of specialised proresolving mediators.
5-Hydroxy-4-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
19(20)-Epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoic acid
17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate
11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione
(4Z,7S,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoic acid
16-hydroxy-4(Z),7(Z),10(Z),13(Z),17(E),19(Z)-docosahexaenoic acid
(4Z,7Z,10Z,13Z,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
Testosterone propionate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid
A hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid bearing an additional 17-hydroxy substituent.
(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid
An EpDPE obtained by formal epoxidation of the 16,17-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid
An EpDPE obtained by formal epoxidation of the 19,20-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid
A hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid bearing an additional 13-hydroxy substituent.
(+/-)-7-hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaenoic acid
(4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid
An EpDPE obtained by formal epoxidation across the 10,11-double bond of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
(4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid
An EpDPE obtained by formal epoxidation across the 13,14-double bond of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
21-hydroxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
(8E,10Z,13Z,16Z,19Z)-7-oxodocosapentaenoic acid
A docosanoid that consists of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators.
(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid
A (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid with (19S,20R)-configuration.
(7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid
An epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators
(4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid
A (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid with (19R,20S)-configuration.
7-Deacetoxyyanuthone A
A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-methylcyclohex-2-en-1-one which is substituted at position 6 by an (E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group (the R,R,R stereoisomer).
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid
A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators
(4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahexaenoic acid
A hydroxydocosahexaenoic acid that consists of (4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid bearing an additional 7-hydroxy substituent.
(9-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl acetate
(6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl acetate
6-hydroxy-7-[(1z,3e)-5-hydroxy-2-methyldodeca-1,3-dien-1-yl]-1,6,7,7a-tetrahydroinden-5-one
[(4ar,5s,6r,8ar)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
13-methoxy-3-methyl-6-(6-methylhepta-2,5-dien-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
(3s,7r,13s)-13-methoxy-3-methyl-6-[(2r)-6-methylhept-5-en-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
3-(hexadeca-7,10,13-trien-1-yl)-4-methoxy-5-methylidenefuran-2-one
2-[8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-2-yl acetate
(3s,7r,11s)-11-methoxy-3-methyl-6-[(2r)-6-methylhept-5-en-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
3-[(1s,4s,8s,9r,12s,13r)-4,8-dimethyl-5-oxo-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoic acid
5-[7-hydroxy-1,3,6-trimethyl-2-(prop-1-en-1-yl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-4-methylpenta-2,4-dienoic acid
(3as,4ar,8s,8as)-4a-hydroxy-1-isopropyl-3a,8a-dimethyl-5-methylidene-3h,4h,6h,7h,8h,9h-cyclohexa[f]azulen-8-yl acetate
(3r,6s,7r,13r)-13-methoxy-3-methyl-6-[(2e)-6-methylhepta-2,5-dien-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
3-[(7z,10z,13z)-hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one
(2s,4s,4ar,8ar)-4-[2-(furan-3-yl)ethyl]-4a,8,8-trimethyl-3-methylidene-hexahydro-1h-naphthalen-2-yl acetate
(4as,5r,6as,7r,11as,11br)-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
13-methoxy-3-methyl-6-[(2e)-6-methylhepta-2,5-dien-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
(3ar,7s,12as)-10,12a-dimethyl-6-methylidene-2-oxo-3-(propan-2-ylidene)-1h,3ah,4h,5h,7h,8h,9h,12h-cyclopenta[11]annulen-7-yl acetate
(1r,3ar,5s,12as)-6-formyl-3a,10-dimethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,8h,9h,12h,12ah-cyclopenta[11]annulen-5-yl acetate
(1s,2s,4r,8s,9r,10z,12z)-9-heptyl-4,8-dihydroxy-12-methyltricyclo[6.5.1.0²,⁶]tetradeca-6,10,12-trien-14-one
2a,7a-dimethyl-5-[(4e)-6-methylhepta-2,4,6-trien-2-yl]-octahydroazuleno[5,6-b]oxiren-2-yl acetate
11a-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthrene-1,7-dione
(1r,4as,10ar)-7-(2-ethoxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
6-methyl-2-(4-methyl-7-methylidene-2,3,4,4a,5,6-hexahydro-1h-naphthalen-1-yl)-4-oxohept-5-en-3-yl acetate
[(1s,4as,9r,10ar)-9-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl acetate
(2e,4e,6e,8e,10e,12e)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
(4bs,8as,10s)-10-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl acetate
16-oxo-mansumbin-3(28),13(17)-dien-3-oic acid
{"Ingredient_id": "HBIN001948","Ingredient_name": "16-oxo-mansumbin-3(28),13(17)-dien-3-oic acid","Alias": "NA","Ingredient_formula": "C22H32O3","Ingredient_Smile": "CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3=CC(=O)CC32C)C","Ingredient_weight": "344.5 g/mol","OB_score": "13.21417336","CAS_id": "NA","SymMap_id": "SMIT03533","TCMID_id": "NA","TCMSP_id": "MOL001054","TCM_ID_id": "NA","PubChem_id": "101630585","DrugBank_id": "NA"}
7β-acetoxyisopimara-8(14),15-dien-1-one
{"Ingredient_id": "HBIN013095","Ingredient_name": "7\u03b2-acetoxyisopimara-8(14),15-dien-1-one","Alias": "NA","Ingredient_formula": "C22H32O3","Ingredient_Smile": "CC(=O)OC1CC2C(CCC(=O)C2(C3C1=CC(CC3)(C)C=C)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "242","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylsanadaol
{"Ingredient_id": "HBIN014491","Ingredient_name": "acetylsanadaol","Alias": "NA","Ingredient_formula": "C22H32O3","Ingredient_Smile": "CC(CCC=C(C)C)C1CCC(=C)C2CC=C(C1C2OC(=O)C)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "505","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
androgen
{"Ingredient_id": "HBIN016005","Ingredient_name": "androgen","Alias": "NA","Ingredient_formula": "C22H32O3","Ingredient_Smile": "CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","Ingredient_weight": "344.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6432562","DrugBank_id": "NA"}
