Exact Mass: 372.2736416
Exact Mass Matches: 372.2736416
Found 500 metabolites which its exact mass value is equals to given mass value 372.2736416
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Percorten
Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
8,8a-Deoxyoleandolide
8,8a-Deoxyoleandolide is a naturally occurring sesquiterpene lactone, which is a type of organic compound derived from the metabolism of plants. It is characterized by the absence of an oxygen atom at the 8 and 8a positions in its molecular structure, which differentiates it from the related compound oleandolide. Sesquiterpene lactones are known for their biological activities, such as cytotoxic, anti-inflammatory, and antimicrobial properties. 8,8a-Deoxyoleandolide may be found in various plant species and could be of interest for pharmaceutical research due to its potential therapeutic effects. The compound's structure typically includes a lactone ring fused with a sesquiterpene framework, and it may exhibit various substituents depending on its source and the specific plant it is derived from. 13-Deethyl-6,12-dideoxy-13-methylerythronolide A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=53428-54-9 (retrieved 2024-07-15) (CAS RN: 53428-54-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Finasteride
Finasteride is only found in individuals that have used or taken this drug. Finasteride is an androgen antagonist. It is an orally active testosterone 5-alpha-reductase inhibitor. Finasteride is one of the currently available pharmacologic treatment modalities with proven efficacy for treatment of androgenetic alopecia. The mechanism of action has not been fully determined, but finasteride has shown to decrease scalp DHT concentration to the levels found in hairy scalp, reduce serum DHT, increase hair regrowth, and slow hair loss. Androgenetic alopecia (AGA), or male pattern hair loss, affects approximately 50\\% of the male population. AGA is an androgen-related condition in genetically predisposed individuals. There is no treatment to completely reverse AGA in advanced stages, but with medical treatment (e.g. finasteride), the progression can be arrested and partly reversed in the majority of patients who have mild to moderate AGA. Finasteride is also used as a surgical alternative for treatment of benign prostatic hyperplasia (PubChem). The mechanism of action of finasteride is based on its preferential inhibition of type II 5alpha-reductase through the formation of a stable complex with the enzyme. Inhibition of type II 5alpha-reductase blocks the peripheral conversion of testosterone to DHT (resulting in significant decreases in serum and tissue DHT concentrations), minimal to moderate increase in serum testosterone concentrations, and substantial increases in prostatic testosterone concentrations. As DHT appears to be the principal androgen responsible for stimulation of prostatic growth, a decrease in DHT concentrations will result in a decrease in prostatic volume (approximately 20-30\\% after 6-24 months of continued therapy). Finasteride may increase the sensitivity of prostate specific antigen to detect prostate cancer. At present, finasteride remains the only intervention shown in long-term prospective phase III clinical trials to reduce the incidence of prostate cancer (PMID: 18044109, 17543725, 17414641, 17415094, 17394699). Finasteride is an androgen antagonist. Finasteride is one of the currently available pharmacologic treatment modalities with proven efficacy for treatment of androgenetic alopecia. Androgenetic alopecia (AGA), or male pattern hair loss, affects approximately 50\\% of the male population. AGA is an androgen-related condition in genetically predisposed individuals. There is no treatment to completely reverse AGA in advanced stages, but with medical treatment (e.g., finasteride), the progression can be arrested and partly reversed in the majority of patients who have mild to moderate AGA. Finasteride may increase the sensitivity of prostate specific antigen to detect prostate cancer. At present, finasteride remains the only intervention shown in long-term prospective phase III clinical trials to reduce the incidence of prostate cancer. (PMID: 18044109, 17543725, 17414641, 17415094, 17394699) [HMDB] G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000089162 - Genitourinary Agents > D064804 - Urological Agents C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent D - Dermatologicals
Gentian Violet
Gentian Violet is only found in individuals that have used or taken this drug. It is a dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. [PubChem]In aqueous solutions Gentian violet (GV) dissociates into positive (GV+)and negative ions (Cl-) that penetrate through the wall and membrane of both gram-positive and gram-negative bacterial cells. The GV+ interacts with negatively charged components of bacterial cells including the lipopolysaccharide (on the cell wall), the peptidoglycan and DNA. A similar cell penetration and DNA binding process is thought to take place for fungal cells as well. Because Gentian violet is a mutagen and mitotic poison, cell growth is consequently inhibited. A photodynamic action of gentian violet, apparently mediated by a free-radical mechanism, has recently been described in bacteria and in the protozoan T. cruzi. Evidence also suggests that gentian violet dissipates the bacterial (and mitochondrial) membrane potential by inducing permeability. This is followed by respiratory inhibition. This anti-mitochondrial activity might explain gentian violets efficacy towards both bacteria and yeast with relatively mild effects on mammalian cells.
5-Ethoxysorgoleone 358
5-Ethoxysorgoleone 358 is found in cereals and cereal products. 5-Ethoxysorgoleone 358 is a constituent of Sorghum bicolor (sorghum). Constituent of Sorghum bicolor (sorghum). 5-Ethoxysorgoleone 358 is found in cereals and cereal products.
(3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one
(3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is found in fats and oils. (3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is a constituent of the fruit of Ginkgo biloba (ginkgo). Constituent of the fruit of Ginkgo biloba (ginkgo). (3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is found in fats and oils and herbs and spices.
5-(10,13-Nonadecadienyl)-1,3-benzenediol
5-(10,13-Nonadecadienyl)-1,3-benzenediol is found in cereals and cereal products. 5-(10,13-Nonadecadienyl)-1,3-benzenediol is a constituent of wheat and rye flour. Constituent of wheat and rye flour. 5-(10,13-Nonadecadienyl)-1,3-benzenediol is found in cereals and cereal products.
Scutigeral
Scutigeral is found in mushrooms. Scutigeral is a constituent of Albatrellus ovinus Constituent of Albatrellus ovinus. Scutigeral is found in mushrooms.
Nabilone
Nabilone is a synthetic cannabinoid with therapeutic use as an antiemetic and as an adjunct analgesic for neuropathic pain. It is a synthetic cannabinoid, which mimics the main ingredient of marijuana (THC) but it has more predictable side effects and causes no or minimal euphoria. Nabilone is not derived from the cannabis plant as is dronabinol. In Canada, the United States, the United Kingdom and Mexico, nabilone is marketed as Cesamet. It was approved in 1985 by the United States FDA for treatment of chemotherapy-induced nausea and vomiting that has not responded to conventional antiemetics. Though it was approved by the FDA in 1985, the drug only began marketing in the United States in 2006. It is also approved for use in treatment of anorexia and weight loss in patients with AIDS. Although it doesnt have the official indication (except in Mexico), nabilone is widely used as an adjunct therapy for chronic pain management. Numerous trials and case studies have demonstrate various benefits for condition such as fibromyalgia and multiple scerosis. Nabilone is a racemate consisting of the (S,S) and the (R,R) isomers (trans). A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
9'-Carboxy-gamma-tocotrienol
9-carboxy-r-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Gamma-tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. Gamma-tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. 9-carboxy-r-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Cervonoyl ethanolamide
Cervonoyl ethanolamide is a N-acylethanolamine. N-acylethanolamines (NAEs) constitute a class of lipid compounds naturally present in both animal and plant membranes as constituents of the membrane-bound phospholipid, N-acylphosphatidylethanolamine (NAPE). NAPE is composed of a third fatty acid moiety linked to the amino head group of the commonly occurring membrane phospholipid, phosphatidylethanolamine. NAEs are released from NAPE by phospholipase D-type hydrolases in response to a variety of stimuli. Transient NAE release and accumulation has been attributed a variety of biological activities, including neurotransmission, membrane protection, and immunomodulation in animals. N-oleoylethanolamine is an inhibitor of the sphingolipid signaling pathway, via specific ceramidase inhibition (ceramidase converts ceramide to sphingosine). N-oleoylethanolamine blocks the effects of TNF- and arachidonic acid on intracellular Ca concentration. (PMID: 12692337, 12056855, 12560208, 11997249) [HMDB] Cervonoyl ethanolamide is a N-acylethanolamine. N-acylethanolamines (NAEs) constitute a class of lipid compounds naturally present in both animal and plant membranes as constituents of the membrane-bound phospholipid, N-acylphosphatidylethanolamine (NAPE). NAPE is composed of a third fatty acid moiety linked to the amino head group of the commonly occurring membrane phospholipid, phosphatidylethanolamine. NAEs are released from NAPE by phospholipase D-type hydrolases in response to a variety of stimuli. Transient NAE release and accumulation has been attributed a variety of biological activities, including neurotransmission, membrane protection, and immunomodulation in animals. N-oleoylethanolamine is an inhibitor of the sphingolipid signaling pathway, via specific ceramidase inhibition (ceramidase converts ceramide to sphingosine). N-oleoylethanolamine blocks the effects of TNF- and arachidonic acid on intracellular Ca concentration. (PMID: 12692337, 12056855, 12560208, 11997249).
Neriantogenin
Neriantogenin is a hydrolysis produced from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US Hydrolysis production from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
1-Phenyl-1,3-nonadecanedione
1-Phenyl-1,3-nonadecanedione is found in fats and oils. 1-Phenyl-1,3-nonadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-nonadecanedione is found in fats and oils.
DG(8:0/10:0/0:0)
DG(8:0/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/10:0)
DG(8:0/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/8:0/0:0)
DG(10:0/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/8:0)
DG(10:0/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
17alpha-Acetoxyprogesterone
Cesamet
Deoxycorticosterone acetate
D000893 - Anti-Inflammatory Agents
Norgestomet
Prorenoate
[(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] pentanoate
2-[3-(furan-3-yl)propyl]-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-yl)oct-5-en-1-ol
14-Hydroxy-12,13-dihydrosesquiterpineol-14-O-xylopyranoside
[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid
metachromin T
A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells.
3,6-Dihydroxy-2-(1-oxo-11-phenylundecyl)-3-cyclohexen-1-one
3-oxo-uzarigenin|Odorigenon-B|odorigenone-B|uzarigenone
3beta-Hydroxy-24-methyl-chol-5-en-24-on|3beta-hydroxy-24-methyl-chol-5-en-24-one
3beta-dimethylamino-con-5-en-12beta-ol|Holarrhenine
(Z,Z)-3-(heptadeca-8,11-dienyl)-1,2-dimethoxybenzene|O-dimethyl-3-<8Z,11Z-heptadecadienyl>catechol
3beta,11alpha-Dihydroxy-5beta-carda-14,20(22)-dienolid|3beta,11alpha-dihydroxy-5beta-carda-14,20(22)-dienolide
4-Ac-6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol
(4E,8E)-1-(2,4-dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-one|1-(2,4-dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyl-4(E),8(E),12-tetradecatrien-1-one
3beta,5-Dihydroxy-5beta-carda-14,20(22)-dienolid|3beta,5-dihydroxy-5beta-carda-14,20(22)-dienolide|3beta,5beta-dihydroxy-14-en-card-20(22)-enolide
Methyl 3-hydroxy-9-oxo-9,10-seco-23,24-dinor-1,3,5(10)-cholatrien-22-oate
Me ester-19-Nor-15-prenyl-8,13,15-labdatrien-18-oic acid
4-O-(3,7-Dimethyl-2,6-octadienyl)---6-Demethylacronylin
(4R,6R,10R,12R)-4,10-dihydroxy-2,8-dioxo-6,12-dipentyl-1,7-dioxacyclododecane|4R,6R,10R,12R,4,10-Dihydroxy-2,8-dioxo-6,12-dipentyl-1,7-dioxacyclododecane|Verbalactone
14-deoxy-15-isopropylidene-11,12-didehydroandrographolide
20alpha-Acetoxypregn-4-en-3,16-dion|20S-acetyloxy-4-pregnen-3,16-dione|20S-acetyloxy-4-pregnene-3,16-dione
2-[(9Z,12Z)-heptadeca-9,12-dienyl]-6-hydroxybenzoic acid
3beta-acetoxypregn-20-en-19-oic acid|sclerosteroid D
3-((E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl)-4-methoxy-5-(3-methyl-but-2-enyl)-benzoic acid
(6E,10E)-12-(2,5-dimethoxy-3-methylphenyl)-6,10-dimethyldodeca-6,10-dien-2,8-dione|cystoazorone A
22-hydroxy-23,24,25,26,27-pentanorcucurbit-5-en-3-one|pentanorcucurbitacin A
16alpha,17-Epoxy-3xi-hydroxy-5xi,14xi-card-20(22)-enolid|16alpha,17-epoxy-3xi-hydroxy-5xi,14xi-card-20(22)-enolide
4-Hydroxy-2-(11-phenylundecanoyl)-1,3-cyclohexanedione|4-hydroxy-2-(11-phenylundecanoyl)cyclohexane-1,3-dione
11,12-dimethoxy-abieta-6,8,11,13-tetraen-20-oic acid methyl ester|11,12-dimethoxyabieta-6,8,11,13-tetraen-20-oic acid methyl ester|6,7-didehydrocarnosic acid methyl ester dimethylether|Methyl 11,12-di-O-methyl-6,7-didehydrocarnosate
[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid
1-(3-Hydroxy-phenyl)-nonadec-10-en-2-on|1-(3-hydroxy-phenyl)-nonadec-10-en-2-one
1-(3-Hydroxy-phenyl)-nonadec-10c-en-2-on|1-(3-hydroxy-phenyl)-nonadec-10c-en-2-one
Ginkgolic acid 17:2
(E/Z)-Ginkgolic acid C17:2, isolated from Ginkgo biloba, can bind with human dihydroorotate dehydrogenase (DHODH) tightly[1].
Crystal Violet
[Raw Data] CB146_Crystal-violet_pos_50eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_40eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_30eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_20eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_10eV_CB000055.txt
Finasteride
G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000089162 - Genitourinary Agents > D064804 - Urological Agents C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent D - Dermatologicals CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9164; ORIGINAL_PRECURSOR_SCAN_NO 9159 CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9203; ORIGINAL_PRECURSOR_SCAN_NO 9201 CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9222; ORIGINAL_PRECURSOR_SCAN_NO 9221 CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9254; ORIGINAL_PRECURSOR_SCAN_NO 9252 CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9266; ORIGINAL_PRECURSOR_SCAN_NO 9265 CONFIDENCE standard compound; INTERNAL_ID 541; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9274; ORIGINAL_PRECURSOR_SCAN_NO 9273 CONFIDENCE standard compound; INTERNAL_ID 2702 CONFIDENCE standard compound; INTERNAL_ID 4115
11α-Acetoxyprogesterone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.305 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.306
2,4-dihydroxy-6-(hydroxymethyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
C23H32O4_Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3beta,9xi)
TXB1
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0155.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_1min0155.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_1min0155.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_0001325.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_0001325.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_0001325.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_0001325.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_0001325.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_0001325.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Deoxycorticosterone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
Deoxycorticosterone
Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(7R,9S,10R,13R,14S,17R)-7-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Ala Ala Ile Val
C17H32N4O5 (372.23725820000004)
Ala Ala Leu Val
C17H32N4O5 (372.23725820000004)
Ala Ala Val Ile
C17H32N4O5 (372.23725820000004)
Ala Ala Val Leu
C17H32N4O5 (372.23725820000004)
Ala Gly Ile Ile
C17H32N4O5 (372.23725820000004)
Ala Gly Ile Leu
C17H32N4O5 (372.23725820000004)
Ala Gly Leu Ile
C17H32N4O5 (372.23725820000004)
Ala Gly Leu Leu
C17H32N4O5 (372.23725820000004)
Ala Ile Ala Val
C17H32N4O5 (372.23725820000004)
Ala Ile Gly Ile
C17H32N4O5 (372.23725820000004)
Ala Ile Gly Leu
C17H32N4O5 (372.23725820000004)
Ala Ile Ile Gly
C17H32N4O5 (372.23725820000004)
Ala Ile Leu Gly
C17H32N4O5 (372.23725820000004)
Ala Ile Val Ala
C17H32N4O5 (372.23725820000004)
Ala Leu Ala Val
C17H32N4O5 (372.23725820000004)
Ala Leu Gly Ile
C17H32N4O5 (372.23725820000004)
Ala Leu Gly Leu
C17H32N4O5 (372.23725820000004)
Ala Leu Ile Gly
C17H32N4O5 (372.23725820000004)
Ala Leu Leu Gly
C17H32N4O5 (372.23725820000004)
Ala Leu Val Ala
C17H32N4O5 (372.23725820000004)
Ala Val Ala Ile
C17H32N4O5 (372.23725820000004)
Ala Val Ala Leu
C17H32N4O5 (372.23725820000004)
Ala Val Ile Ala
C17H32N4O5 (372.23725820000004)
Ala Val Leu Ala
C17H32N4O5 (372.23725820000004)
Gly Ala Ile Ile
C17H32N4O5 (372.23725820000004)
Gly Ala Ile Leu
C17H32N4O5 (372.23725820000004)
Gly Ala Leu Ile
C17H32N4O5 (372.23725820000004)
Gly Ala Leu Leu
C17H32N4O5 (372.23725820000004)
Gly Ile Ala Ile
C17H32N4O5 (372.23725820000004)
Gly Ile Ala Leu
C17H32N4O5 (372.23725820000004)
Gly Ile Ile Ala
C17H32N4O5 (372.23725820000004)
Gly Ile Leu Ala
C17H32N4O5 (372.23725820000004)
Gly Leu Ala Ile
C17H32N4O5 (372.23725820000004)
Gly Leu Ala Leu
C17H32N4O5 (372.23725820000004)
Gly Leu Ile Ala
C17H32N4O5 (372.23725820000004)
Gly Leu Leu Ala
C17H32N4O5 (372.23725820000004)
Gly Val Val Val
C17H32N4O5 (372.23725820000004)
Ile Ala Ala Val
C17H32N4O5 (372.23725820000004)
Ile Ala Gly Ile
C17H32N4O5 (372.23725820000004)
Ile Ala Gly Leu
C17H32N4O5 (372.23725820000004)
Ile Ala Ile Gly
C17H32N4O5 (372.23725820000004)
Ile Ala Leu Gly
C17H32N4O5 (372.23725820000004)
Ile Ala Val Ala
C17H32N4O5 (372.23725820000004)
Ile Gly Ala Ile
C17H32N4O5 (372.23725820000004)
Ile Gly Ala Leu
C17H32N4O5 (372.23725820000004)
Ile Gly Ile Ala
C17H32N4O5 (372.23725820000004)
Ile Gly Leu Ala
C17H32N4O5 (372.23725820000004)
Ile Ile Ala Gly
C17H32N4O5 (372.23725820000004)
Ile Ile Gly Ala
C17H32N4O5 (372.23725820000004)
Ile Leu Ala Gly
C17H32N4O5 (372.23725820000004)
Ile Leu Gly Ala
C17H32N4O5 (372.23725820000004)
Ile Val Ala Ala
C17H32N4O5 (372.23725820000004)
Leu Ala Ala Val
C17H32N4O5 (372.23725820000004)
Leu Ala Gly Ile
C17H32N4O5 (372.23725820000004)
Leu Ala Gly Leu
C17H32N4O5 (372.23725820000004)
Leu Ala Ile Gly
C17H32N4O5 (372.23725820000004)
Leu Ala Leu Gly
C17H32N4O5 (372.23725820000004)
Leu Ala Val Ala
C17H32N4O5 (372.23725820000004)
Leu Gly Ala Ile
C17H32N4O5 (372.23725820000004)
Leu Gly Ala Leu
C17H32N4O5 (372.23725820000004)
Leu Gly Ile Ala
C17H32N4O5 (372.23725820000004)
Leu Gly Leu Ala
C17H32N4O5 (372.23725820000004)
Leu Ile Ala Gly
C17H32N4O5 (372.23725820000004)
Leu Ile Gly Ala
C17H32N4O5 (372.23725820000004)
Leu Leu Ala Gly
C17H32N4O5 (372.23725820000004)
Leu Leu Gly Ala
C17H32N4O5 (372.23725820000004)
Leu Val Ala Ala
C17H32N4O5 (372.23725820000004)
Val Ala Ala Ile
C17H32N4O5 (372.23725820000004)
Val Ala Ala Leu
C17H32N4O5 (372.23725820000004)
Val Ala Ile Ala
C17H32N4O5 (372.23725820000004)
Val Ala Leu Ala
C17H32N4O5 (372.23725820000004)
Val Gly Val Val
C17H32N4O5 (372.23725820000004)
Val Ile Ala Ala
C17H32N4O5 (372.23725820000004)
Val Leu Ala Ala
C17H32N4O5 (372.23725820000004)
Val Val Gly Val
C17H32N4O5 (372.23725820000004)
Val Val Val Gly
C17H32N4O5 (372.23725820000004)
Proscar
G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000089162 - Genitourinary Agents > D064804 - Urological Agents C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent D - Dermatologicals
(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
3-oxochol-4-en-24-oic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Nabilone
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Scutigeral
Neriantogenin
5-Ethoxysorgoleone 358
8-hydroxy-3-[(6E)-pentadec-6-en-1-yl]-3,4-dihydro-1H-2-benzopyran-1-one
alpha-N-(3-hydroxy-13-methyl-tetradecanoyl)-ornithine
C20H40N2O4 (372.29879200000005)
ascr#23
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,13R)-13-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#23
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-14-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
ST 24:3;O3
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Polycerasoidin
17b-(tert-Butylcarbamoyl)-4-aza-5a-androsten-3-one
1,3-DI(ADAMANTAN-1-YL)-1H-IMIDAZOL-3-IUM CHLORIDE
C23H33ClN2 (372.23321280000005)
(S)-α-Azidobenzenepropanoic acid (dicyclohexylammonium) salt
C21H32N4O2 (372.25251319999995)
(1R,3R,4S)-4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-2-METHYLENECYCLOPENTANOL
tert-butyl 4-(3,3-diethyl-2-oxoindol-1-yl)piperidine-1-carboxylate
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
rac-1-Linoleoyl-3-chloropropanediol
C21H37ClO3 (372.24310820000005)
Norgestomet
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
(3aR,4S,5R,6aS)-4-((tert-butyldimethylsilyloxy)methyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-ol
5-HYDROXYINDOLE-3-ACETIC ACID DICYCLOHEXYLAMMONIUM SALT
1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Decanoic acid, 1-(hydroxymethyl)-2-((1-oxooctyl)oxy)ethyl ester
(2E,13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoic acid
(2E)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoic acid
Anagestone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
2,4-Dihydroxy-6-methyl-3-((2E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl)-2-penten-1-yl)benzaldehyde
(6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl)-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
(4Z,8Z,12Z,16Z)-4,8,12,16-tetramethyl-20-oxohenicosa-4,8,12,16-tetraenal
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethylazanium
(3-Carboxy-2-tetradecanoyloxypropyl)-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(12-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(4-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(11-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(3-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(5-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(8-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(7-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(6-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(9-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-Carboxy-2-(10-methyltridecanoyloxy)propyl]-trimethylazanium
C21H42NO4+ (372.31136720000006)
[3-carboxy-2-[(E)-11-carboxyundec-9-enoyl]oxypropyl]-trimethylazanium
C19H34NO6+ (372.23860040000005)
[3-carboxy-2-[(E)-11-carboxyundec-2-enoyl]oxypropyl]-trimethylazanium
C19H34NO6+ (372.23860040000005)
[3-carboxy-2-[(E)-11-carboxyundec-7-enoyl]oxypropyl]-trimethylazanium
C19H34NO6+ (372.23860040000005)
[3-carboxy-2-[(E)-11-carboxyundec-8-enoyl]oxypropyl]-trimethylazanium
C19H34NO6+ (372.23860040000005)
[3-carboxy-2-[(E)-11-carboxyundec-6-enoyl]oxypropyl]-trimethylazanium
C19H34NO6+ (372.23860040000005)
[3-Carboxy-2-(3-oxotridecanoyloxy)propyl]-trimethylazanium
C20H38NO5+ (372.27498380000003)
(1S,9aR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
(3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
6-(Dimethylamino)-2-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-ethylquinolinium
2,4-Dihydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-6-(hydroxymethyl)benzaldehyde
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
(1S,3aS,3bR,5aR,9aR,9bR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
[(2R)-3-carboxy-2-tetradecanoyloxypropyl]-dimethyl-(trideuteriomethyl)azanium
C21H42NO4+ (372.31136720000006)
(1R,3aS,3bS,5aR,9aR,9bR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
Ethyl (4R*,5R*)-(E)-4-(2-tetrahydropyranyl)oxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
(4AS,5S,8AS)-E-(+)-3-Methyl-5-((5alpha-(4-methyl-3-pentenyl)-2,5beta,8abeta,trimethyl-3,4,4A,5,6,7,8,8A-octahydronaphthalenyl))-2-pentenoic acid
(1-Hydroxy-3-pentanoyloxypropan-2-yl) tridecanoate
(1-Butanoyloxy-3-hydroxypropan-2-yl) tetradecanoate
(1-Hydroxy-3-propanoyloxypropan-2-yl) pentadecanoate
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] decanoate
(20S,22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid
3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
3alpha-Hydroxy-5beta-chola-8(14),11-dien-24-oic Acid
(22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid
ambiguine H
An ambiguine which is a (6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl) substituted derivative of 2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole. An antimicrobial agent isolated from the cyanobacterium strain, Fischerella.