Exact Mass: 360.275
Exact Mass Matches: 360.275
Found 500 metabolites which its exact mass value is equals to given mass value 360.275,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5β-cholanoic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 5β-Cholanic acid can be used for 5β-Cholanic acid derivatives synthesis[1].
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
4,5alpha-Dihydro-6beta-methyltestosterone propionate
Dromostanolone propionate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
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).
Tetracosatetraenoic acid (24:4n-6)
Tetracosatetraenoic acid n-6 is metabolized to radiolabelled monohydroxylated fatty acids (predominantly the 9-hydroxy positional isomer) but not to other lipoxygenase or cyclooxygenase products by the calcium ionophore-stimulated cells. (PMID: 8049246). Oxidation of tetracosatetraenoic acid n-6 is relatively normal in adrenoleukodystrophy cells and in the cells from one PD,peroxisomal disease patient. Tetracosatetraenoic acid n-6 is metabolized to radiolabelled monohydroxylated fatty acids (predominantly the 9-hydroxy positional isomer) but not to other lipoxygenase or cyclooxygenase products by the calcium ionophore-stimulated cells.
1-Hydroxy-1-phenyl-3-octadecanone
1-Hydroxy-1-phenyl-3-octadecanone is found in fats and oils. 1-Hydroxy-1-phenyl-3-octadecanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Hydroxy-1-phenyl-3-octadecanone is found in fats and oils.
3-Hydroxy-1-phenyl-1-octadecanone
3-Hydroxy-1-phenyl-1-octadecanone is found in fats and oils. 3-Hydroxy-1-phenyl-1-octadecanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 3-Hydroxy-1-phenyl-1-octadecanone is found in fats and oils.
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
[12]-Shogaol
[12]-shogaol is a member of the class of compounds known as shogaols. Shogaols are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively. [12]-shogaol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [12]-shogaol can be found in ginger, which makes [12]-shogaol 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
(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7,20-diformamidoisocycloamphilectane
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
aglaiabbreviatin C
A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
(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
14-(hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en- 5-yl acetate
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
3-<(Z)-10-heptadecenyl>5-methoxyphenol|3-Methoxy-5-((Z)-heptadec-10-enyl)phenol|3-Methoxy-5-<(Z)-heptadec-10-enyl>phenol
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
1-(4-hydroxyphenyl)octadecan-5-one|1-(4-Hydroxyphenyl)-5-octadecanone
Me ether-3, 4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one
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
3beta-Hydroxy-23,24-bisnorchol-5-en-22-oic Acid|3beta-hydroxy-24-nor-chol-5-en-23-oic acid|3beta-Hydroxy-24-nor-chol-5-en-23-saeure|3beta-Hydroxy-24-nor-cholen-(5)-saeure-(23)|3beta-hydroxy-24-norchol-5-en-23-oic acid|3beta-Hydroxynorchol-5-en-23-carbonsaeure
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
19-acetoxy-5alpha-pregn-20-en-3-ol|sclerosteroid A
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
1-O-acetyl-2-O-[(R)-3-hydroxytetradecanoyl]-sn-glycerol
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
2-methyl-5-(8Z-heptadecenyl)resorcinol|2-methyl-5-(8Z-heptadecenyl)resorcinol
(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
Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, (17beta)-
13-Ac-(5alpha,8beta,9beta,12beta,13beta,14beta)-9,13-Dihydroxy-1,3-dolastadien-6-one
(1S,5Z,7E)-24-Nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol
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
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
Ursocholanic acid
5β-Cholanic acid can be used for 5β-Cholanic acid derivatives synthesis[1].
(1R,5R,9S,15S)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
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\\%
(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol
7,9,13,17-tetramethyl-7S,14S-dihydroxy-2E,4E,8E,10E,12E,16-octadecahexaenoic acid
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
Cholanic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
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
ascr#22
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (12R)-12-hydroxytridecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#22
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 13-hydroxytridecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3
TRANS-1-(2-(4-(4-BUTYLCYCLOHEXYL)PHENYL)ETHYNYL)-4-ETHOXYBENZENE
Silandrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1-Hexadecyl-3-methylimidazolium chloride monohydrate,
1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
[trans(trans)]-1,1-Biphenyl, 4-(4-ethylcyclohexyl)-4-(4-methylcyclohexyl)
TRANS-1-(2-(4-METHOXYPHENYL)ETHYNYL)-4-(4-PENTYLCYCLOHEXYL)BENZENE
1-Methyl-4-(3-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)piperazine
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
(12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridecanoic acid
13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridecanoic acid
(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
(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
5alpha-Androstan-3-one, 17beta-hydroxy-6beta-methyl-, propionate
546-18-9
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 5β-Cholanic acid can be used for 5β-Cholanic acid derivatives synthesis[1].
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
[3-Carboxy-2-(2-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxydodecanoyloxy)propyl]-trimethylazanium
(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-(10-carboxydecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(12-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(10-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(11-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(8-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(9-hydroxydodecanoyloxy)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
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
(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoic acid
6-{3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hexanoic acid
1-[1-(1-Cyclohexyl-5-tetrazolyl)butyl]-4-cyclopentylpiperazine
(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
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
6-[(8Z,11Z)-heptadeca-8,11-dien-1-yl]benzene-1,2,4-triol
(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
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
[2-(Carboxymethyl)-2,14-dihydroxy-3-oxotetradecyl]-trimethylazanium
[(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
2-Trimethylsilyloxylauric acid trimethylsilyl ester
2-Methyl-3-(1-trimethylsilylmethyl-2-methylene-6-methyl-5-heptenyl)-5-isopropenylcyclohexan-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.
(9Z,12Z,15Z,18Z)-tetracosatetraenoic acid
A very long-chain omega-6 fatty acid that is tetracosanoic acid having four double bonds located at positions 9, 12, 15 and 18 (the 9Z,12Z,15Z,18Z-isomer).
(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.
3,5,11,15-tetramethylicosa-6,10,14-triene-2,18-dione
(1r,3as,3bs,5as,7s,9as,9bs,10r,11ar)-1-ethenyl-7-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate
(1s,4ar,5s,8ar)-1,4a-dimethyl-5-[(3s,5e)-3-methyl-7-oxooct-5-en-1-yl]-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
3-hydroxypregnan-16-one,9ci; (3α,5α)-form,ac
{"Ingredient_id": "HBIN008745","Ingredient_name": "3-hydroxypregnan-16-one,9ci; (3\u03b1,5\u03b1)-form,ac","Alias": "NA","Ingredient_formula": "C23H36O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8070","PubChem_id": "NA","DrugBank_id": "NA"}
[(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
{"Ingredient_id": "HBIN009711","Ingredient_name": "[(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","Alias": "[(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate; acetic acid [(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester","Ingredient_formula": "C23H36O3","Ingredient_Smile": "NA","Ingredient_weight": "360.53","OB_score": "17.2540082","CAS_id": "14553-79-8","SymMap_id": "SMIT07376","TCMID_id": "NA","TCMSP_id": "MOL005650","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β-cholanicacid
{"Ingredient_id": "HBIN011463","Ingredient_name": "5\u03b2-cholanicacid","Alias": "5 beta-cholanic acid","Ingredient_formula": "C24H40O2","Ingredient_Smile": "CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14650","TCMID_id": "30770;3575","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
{"Ingredient_id": "HBIN013102","Ingredient_name": "7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol","Alias": "7\u03b2-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol","Ingredient_formula": "C23H36O3","Ingredient_Smile": "CCOC1CC2C(CCCC2(C3=C(C(=C(C=C13)C(C)C)OC)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25751;7409","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
