Exact Mass: 360.22180480000003
Exact Mass Matches: 360.22180480000003
Found 500 metabolites which its exact mass value is equals to given mass value 360.22180480000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Calycanthidine
Calycanthidine is found in herbs and spices. Calycanthidine is an alkaloid from the seeds of Calycanthus floridus (Carolina allspice
6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone
9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione
9-Fluoro-2alpha-methyl-11-oxoprogesterone
S 1033
C20H33NaO4 (360.2276418000001)
Resolvin D5
Resolvin D5 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225) [HMDB] Resolvin D5 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
Macrophorin A
Macrophorin A is found in pomes. Macrophorin A is produced by Macrophoma fruit rot of appl Production by Macrophoma fruit rot of apple. Macrophorin A is found in pomes.
Neuroprotectin D1
Neuroprotectin D1 is an autacoid protectin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. They require enzymatic generation from docosanoids, oxygenated products from docosahexaenoic acid (DHA), which specifically possess a conjugated triene double-bond system in their structures, are denoted protectins. The protectins demonstrate anti-inflammatory and neuroprotective actions in vivo. Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The terms protectin and neuroprotectin [the term applied to protectin that is generated in the neural tissues] were introduced given the anti-inflammatory and protective actions of the 10,17-docosatriene in neural systems, stroke, and animal models of Alzheimers disease. The prefix in neuroprotectin (NPD1) provides a local pathway address for the biosynthesis and action of this molecule. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
6-beta-hydroxymedroxyprogesterone
6-beta-hydroxymedroxyprogesterone is a metabolite of medroxyprogesterone. Medroxyprogesterone, also known as 17α-hydroxy-6α-methylprogesterone, and abbreviated as MP, is a steroidal progestin drug which was never marketed for use in humans. An acylated derivative, medroxyprogesterone acetate (MPA), is clinically used as a pharmaceutical medicine. Compared to MPA, MP is over two orders of magnitude less potent as a progestogen. As such, MP itself is not used clinically, though it has seen limited use in veterinary medicine under the trade name Controlestril in France. (Wikipedia)
2-beta-hydroxymedroxyprogesterone
2-beta-hydroxymedroxyprogesterone is a metabolite of medroxyprogesterone. Medroxyprogesterone, also known as 17α-hydroxy-6α-methylprogesterone, and abbreviated as MP, is a steroidal progestin drug which was never marketed for use in humans. An acylated derivative, medroxyprogesterone acetate (MPA), is clinically used as a pharmaceutical medicine. Compared to MPA, MP is over two orders of magnitude less potent as a progestogen. As such, MP itself is not used clinically, though it has seen limited use in veterinary medicine under the trade name Controlestril in France. (Wikipedia)
1-beta-hydroxymedroxyprogesterone
1-beta-hydroxymedroxyprogesterone is a metabolite of medroxyprogesterone. Medroxyprogesterone, also known as 17α-hydroxy-6α-methylprogesterone, and abbreviated as MP, is a steroidal progestin drug which was never marketed for use in humans. An acylated derivative, medroxyprogesterone acetate (MPA), is clinically used as a pharmaceutical medicine. Compared to MPA, MP is over two orders of magnitude less potent as a progestogen. As such, MP itself is not used clinically, though it has seen limited use in veterinary medicine under the trade name Controlestril in France. (Wikipedia)
(4Z,7Z,11E,13Z,16Z,19Z)-10-Hydroperoxydocosahexaenoic acid
(4Z,7Z,11E,13Z,16Z,19Z)-10-Hydroperoxydocosahexaenoic acid, also known as 10-HPDoHE or 10-peroxy-docosahexaenoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule. (4Z,7Z,11E,13Z,16Z,19Z)-10-Hydroperoxydocosahexaenoic acid can be biosynthesized from all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid
(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid, also known as 11-HPDoHE or 11-peroxy-docosahexaenoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule. (4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid can be biosynthesized from all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
Iloprost R-isomer
5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
5,7,3,4-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 5,7,3,4-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5,7,3,4-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside can be found in pomegranate, which makes 5,7,3,4-tetrahydroxyflavanone 7-alpha-l-arabinofuranosyl-(1->6)-glucoside a potential biomarker for the consumption of this food product.
cannabigerolate
Cannabigerolic acid, CBGA, is a phytocannabinoid that belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. CBGA is a dihydroxybenzoic acid derived from olivetolic acid on which the hydrogen at position 3 is substituted by a geranyl group. CBGA is a molecule of mixed biosynthetic origin, in which its aromatic moiety (derived from olivetolic acid) occurs through the polyketide biosynthetic pathway while the prenylated sidechain derives from the MEP pathway of the terpenoids (DOI: 10.1016/B978-0-12-800756-3.00002-8). As such, CBGA can be considered a polyketide, a monoterpenoid and a resorcinol, due to the meta arrangement of its two hydroxyl groups on the benzene ring. CBGA is a key biosynthetic precursor of Delta (9)-tetrahydrocannabinol, the main psychoactive component of Cannabis sativa. As mentioned above, olivetolic acid and geranyl diphosphate are synthesized into CBGA. The CBGA is converted in the plant by CBCA synthase, cannabidiolic acid synthase (CBDA synthase) and tetrahydrocannabinolic acid synthase (THCA synthase) into CBCA, CBDA and tetrahydrocannabinolic acid (THCA).The THCA can be decarboxylated into THC by drying and heating plant material. Therefore, CBGA is an important cannabinoid found in cannabis. Because of its biosynthetic relationship to other psychoactive compounds, many efforts have been addressed to find alternative ways of producing it, particularly in yeast (PMID: 28694184) Additionally, cannabigerolic acid has shown antibiotic properties (PMID: 6991645). Cannabigerolate, also known as cannabigerolic acid, belongs to hydroxybenzoic acid derivatives class of compounds. Those are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Cannabigerolate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Cannabigerolate can be found in a number of food items such as malabar plum, wheat, dill, and green bell pepper, which makes cannabigerolate a potential biomarker for the consumption of these food products.
Cannabigerolic acid
A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.
1-Ketone,6-Ac-8(14),15-Isopimaradiene-1,6,9-triol|6alpha-acetoxysandaracopimaradien-9alpha-ol-1-one
14alpha-acetoxy-2beta,3alpha-dihydroxy-1(15),8(19),9-trinervitatriene
irciformonin G|rel-(5R)-5-[(1S,4E,8E)-11-(furan-3-yl)-1-hydroxy-4,8-dimethylundeca-4,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one
15-acetoxy-11,15-epoxy-ent-cleroda-4(18),12-dien-16-al
11beta-acetoxy-ent-kaurenic acid|ent-11alpha-acetoxykaur-16-en-18-oic acid|ent-11alpha-acetoxykaur-18-oic acid|ent-11??-Acetoxykaur-16-en-18-oic acid
22-deacetylyanuthone A
A class I yanuthone that is 7-deacetoxyyanuthone A in which the methyl group attached to the epoxy-cyclohexenone ring has been oxidised to the corresponding hydroxymethyl group.
2-[2-(2-hydroxy-2-hydroxymethyl-6,6-dimethyl-cyclohexyl)-ethyl]-2,7-dimethyl-2H-chromen-5-ol|Siccanochromen-F|Siccanochromene F
3beta-angeloyloxy-6beta-ethoxy-10beta-H-furanoeremophilane
(2E,4E,7S,8E,10E,12E,14S)-7,9,13,17-tetramethyl-7,14-dihydroxy-2,4,8,10,12,16-octadecahexaenoic acid
(1R*,3E,7E,9S*,11S*)-9-acetoxydolabella-3,7,12-trien-16-oic acid
19-acetoxy-15,16-epoxy-5(R)-hydroxyspata-13(14),17-diene
17-hydroxy-hexahydro-cur-19-ene-16-carboxylic acid methyl ester|Preakuammicin
ent-7alpha-acetoxy-14beta-hydroxykaur-16-en-15-one
(ent-15beta)-Ac-15-Hydroxy-16-kauren-19-oic acid|Ac-15-Hydroxy-16-kauren-19-oic acid|ent-1alpha-acetoxy-kaurenic acid
5-methoxy-3-(8Z,11Z)-pentadeca-8,11,14-trienylbenzene-1,2,4-triol|5-methoxy-3-<(8Z,11Z)-pentadeca-8,11,14-trienyl>benzene-1,2,4-triol
(2E,4E,9Z)-octadecatrien-6-yne-1,18-diyl diacetate
2-??-Acetoxy-cis-cleroda-3,13(Z),8(17)-trien-15-oic acid
(13Z)-5-acetoxy-12-hydroxy-4,10-secospata-2,13(15),17-trien-10-one
1-Phenanthrenecarboxylicacid,5-(acetyloxy)-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,4bS,5R,7R,10aR)-
ent-12alpha-acetoxypimar-9(11),15-dien-19-oic acid
ent-7beta-acetoxy-11alpha-hydroxykaur-16-en-15-one|ent-7??-Acetoxy-11??-hydroxykaur-16-en-15-one
4-acetoxy-4-methoxy-2-(3,6,9-tetradecatrienyl)-2-cyclopenten-1-one
(4Z,8S,9R,12E,14E)-1-isopropyl-8,12-dimethyl-18-oxo-oxabicyclo[9.3.2]-hexadeca-4,12,14-trien-2-yl acetate
(5R,7R,10S)-3-oxo-7,12-dimethoxyabieta-8,11,13-trien-11-ol
ent-6beta-acetoxy-labda-7,12E,14-triene-17-oic acid
7-Ac-(ent-7alpha)-6-Hydroxy-16-Kauren-19-oic acid|7beta-acetoxy (-)-kaur-16-en-19-oic acid|7beta-acetoxy-(-)-kaur-16-en-19-oic acid|7beta-acetoxy-ent-kaur-16-en-19-oic acid
Ac-6-Hydroxy-3,12,14-clerodatrien-20-oic acid|heteroscyphic acid B
18-Hydroxyaustrochaparolacetat|7-Ac-(ent-7alpha)-15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol
19-acetoxy-8(17),13-ent-labdadien-15->16 lactone|andrograpanin acetate
3beta-hydroxy-19-O-acetyl-pimara-8(9),15-dien-7-one
Ac-7, 8-Epoxy-6-hydroxy-3, 12(18),-dolabelladien-13-one
5alpha-Methoxy-5,10-dihydroprintziasaeure-methylester
9-(3,4-dihydro-6-hydroxy-2R,8-dimethyl-2H-1-benzopyran-2-yl)-2,6-dimethyl-(6E)-nonenoic acid
ent-11alpha-acetoxy-7beta-hydroxykaur-16-en-15-one
(2S,7S,8S,13S,3E,11E)-13-acetoxy-7,8-epoxycembra-3,11-diene|13-acetoxysarcophytoxide
4-(2-(2,5,5,8a-Tetramethyl-4-acetoxydecalin-1-ene-1-yl)ethyl)furan-2(5H)-one
1beta-hydroxy-7beta-acetoxy-ent-pimara-8,15-dien-14-one|7-O-acetylpedinophyllol E
3beta-acetoxy-19-nor-10beta-hydroperoxypregn-20-ene|sclerosteroid E
(4S)-3,4-seco-4,21-dihydroxy-4-methyl-20-oxo-5alpha-pregna-8-en-3-oic acid epsilon-lactone|nodulisporisteriod A
(+)-(1S,4R,5S,10S,13S)-1,18-dihydroxyabieta-7,9(11)-diene-12-one 1-monoacetate|inflexanin D
(2S)-lactyl (E)-17-methyl-9-octadecen-5,7-diynoate|heterofibrin B2
9alpha-acetoxy-3alpha-hydroxy-1(15),8(19)-trinervitadien-8-one|9alpha-acetoxy-3alpha-hydroxy-2-oxo-1(15),8(19)-trinervitadiene
Ac-(1E,3E,7R*,8R*,11S*,12S*,14R*)-7,8:11,12-Diepoxy-1,3,15-cembratrien-14-ol
ent-20-acetoxy-11alpha-hydroxy-16-kauren-15-one|ent-20-Acetoxy-11??-hydroxy-16-kauren-15-one
(4R,9S,13Z)-12-acetoxy-4-hydroxy-4,10-secospata-2,13(15),17-trien-10-one
2beta-Acetoxy-(3beta,7beta)-3-Hydddroxy-8-kempen-6-one
(6S)-4,6-dimethyldodecadien-2E,4E-dienoyl ester of phomalactone
12-Ac-4,12-Dihydroxy-4,10-seco-2,13(15),17-spatatrien-10-one
7-Hydrxoy-5-Hydroxy-2-tridecyl-4H-1-benzopyran-4-one
13-Ac-(5alpha,8beta,9beta,12beta,13beta,14beta)-9,13-Dihydroxy-1,3-dolastadien-6-one
2-hydroxy-5-methoxy-3-[8Z,11Z-pentadecadiene]-p-benzoquinone|sorgoleone-360
6beta-acetoxy-9alpha,13-epoxy-labda-7,14-dien-17-al
11beta-acetoxyspongi-12-en-16-one|11beta-hydroxyspongi-12-en-16-one
3R*-acetoxy-7R*,8R*-epoxy-13-keto-1R*,11S*-dolabell-4(16),12(18)-diene
6,7-dihydro-7-hydroxy-7-methyl-6-(2-oxononyl)-3-[(E)-prop-1-enyl]-1H-isochromen-8(5H)-one|monaphilone A
3beta-senecioyloxy-6beta-ethoxy-10beta-H-furanoeremophilane
(1Z,3E,7E,11E)-14-acetoxycembra-1,3,7,11-tetraene-9,10-diol
4-acetoxymethyl-7-senecioyloxy-1,2,6,10-tetramethylbicyclo-<4.4.0>deca-2,9-diene|4-acetoxymethyl-7-senecioyloxy-1,2,6,10-tetramethylbicyclo-[4.4.0]deca-2,9-diene
(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid
MaR1
Chemical was purchased from CAY10878 (Lot 0441039-18); Diagnostic ions: 359.1, 250.0, 246.1, 221.0, 140.9, 113.6
C22H32O4_12-Acetoxypimara-7,15-dien-18-oic acid
6-acetyloxy-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
(1R,5R,9S,15S)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
Scopolamine-N-butyl
[C21H30NO4]+ (360.21747200000004)
CONFIDENCE standard compound; INTERNAL_ID 2515
Resolvin D5
A member of the class of resolvins that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17S-stereoisomer). CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0212.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_1min0212.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_1min0212.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_0000143.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_0000143.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_0000143.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_0000143.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_0000143.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_0000143.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Maresin 1
CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001319.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_0001319.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_0001319.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_0001319.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_0001319.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_0001319.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
(1R,5R,9S,15S)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_major
(1R,5R,9S,15S)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_95.4\\%
(1R,5R,9S,15S)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_48.6\\%
7,9,13,17-tetramethyl-7S,14S-dihydroxy-2E,4E,8E,10E,12E,16-octadecahexaenoic acid
LY255283
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Resolvin D6
A member of the class of resolvins that is (5E,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 4 and 17 (the 4S,17S-stereoisomer).
Iloprost
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C78568 - Prostaglandin Analogue C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Macrophorin A
Protectin D1
A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17S-stereoisomer). Protectin D1 is one of the specialised proresolving mediators. When produced in neural tissues, it is called neuroprotectin D1
3,4,5-TRIFLUORO-4-(TRANS-4-PENTYLCYCLOHEXYL)-1,1-BIPHENYL
6-ACETYLAMINO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN
C20H28N2O4 (360.20489680000003)
N,N,N,N-tetrakis(2,3-epoxypropyl)-m-xylene-alpha,alpha-diamine
C20H28N2O4 (360.20489680000003)
2-(dicyclohexylphosphino)acetophenone &
C22H33O2P (360.22180480000003)
3,5-Di-O-(tert-butyldimethylsilyl)-2-deoxy-D-ribonolactone
N,N-Dibenzylethan-1,2-diamindiacetat
C20H28N2O4 (360.20489680000003)
GPI-1046
C20H28N2O4 (360.20489680000003)
tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate
1,1-(dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
C20H28N2O4 (360.20489680000003)
4-ethyl-2-methylideneoctanoic acid,prop-2-enoic acid,styrene
Istaroxime
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent
10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)-
9-Fluoro-2-methylpregn-4-ene-3,11,20-trione, (2alpha)-
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxydocosa-4,8,10,13,15,19-hexaenoic acid
11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate
Butylscopolamine
C21H30NO4+ (360.21747200000004)
A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
amino{[4-({N-[(2S)-3-carboxy-2-hydroxypropanoyl]-L-leucyl}amino)butyl]amino}methaniminium
Cannabinerolic acid
A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a neryl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.
9alpha-Hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid
(2S)-2-[(8R,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
(4E,7E,11E,13E,15E,19E)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid
(4E,8E,10E,12E,16E,19E)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-9-carboxy-6-hydroxynon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-9-carboxy-5-hydroxynon-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-6-hydroxynon-7-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(10-carboxydecanoyloxy)propyl]-trimethylazanium
dilopholide
A diterpenoid isolated from the brown alga Dilophus ligulatus and has been shown to exhibit cytotoxic activity.
(4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
(1R,4S,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
(4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4,17-dihydroxydocosa-5,7,10,13,15,19-hexaenoic Acid
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt
C20H33NaO4 (360.2276418000001)
yanuthone X2
A class II yanuthone that is 5,6-epoxy-cyclohex-2-en-1-one which is substituted at positions 3, 4, and 6 by methoxy, hydroxy, and trans,trans-farnesyl groups, respectively (the 4S,5R,6R stereoisomer). Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 51.7 +-4.7 muM).
4-[[4-Cyclohexyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl]benzoic acid methyl ester
(1R,5R,6R)-5-hydroxy-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
6-{3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hexanoic acid
14-Hpdhe
A hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14.
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoic acid
(11R)-11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoic acid
(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
(5Z)-5-[(3As,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
[(1S,2S,4S,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
C21H30NO4+ (360.21747200000004)
3-(17-Hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
(4Z,8E,10Z,13Z,16Z,19Z)-7-hydroperoxydocosa-4,8,10,13,16,19-hexaenoic acid
[(2R)-3-carboxy-2-(10-carboxydecanoyloxy)propyl]-trimethylazanium
(4Z,7S,8E,10Z,13Z,16Z,19Z)-7-hydroperoxydocosa-4,8,10,13,16,19-hexaenoic acid
(4Z,7Z,9E,11S,13Z,16Z,19Z)-11-hydroperoxydocosa-4,7,9,13,16,19-hexaenoic acid
10-Isopropyl-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo(B,E)(1,4)-diazepin-1-one
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxyacetic acid
17R-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
(4Z,7Z,11E,13Z,16Z,19Z)-10-Hydroperoxydocosahexaenoic acid
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 13R- and 14S-positions.
10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid
aspirin-triggered protectin D1
A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer).
(4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 21S-positions.
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 21S-positions.
(4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 21R-positions.
14(S)-HPDHE
A hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at the 14(S)-position.
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 22-positions.
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 22-positions.
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid
A hydroperoxy fatty acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14S. An intermediate of specialised proresolving mediators
7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic acid
A docosanoid that is (9E,11E,13Z,15E,19Z)-docosapentaenoic acid carrying an epoxy group across positions 7 and 8 as well as a hydroxy substituent at position 17. An intermediate of specialised proresolving mediators.
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions.
(7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions.
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17S.
(4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 21R-positions.
(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions.
aspirin-triggered resolvin D5
A member of the class of resolvins that is (5Z,8E,10Z,13Z,15Z,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17R-stereoisomer).
aspirin-triggered resolvin D6
A member of the class of resolvins that is (5E,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 4 and 17 (the 4S,17R-stereoisomer).
(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosahexaenoic acid
A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13Z,15E,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10S,17S-stereoisomer). A natural isomer of protectin D1, one of the specialised proresolving mediators.
yanuthone F
A class I yanuthone that is 7-deacetoxyyanuthone A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.