Chemical Formula: C22H32O5

Chemical Formula C22H32O5

Found 225 metabolite its formula value is C22H32O5

Resolvin D1

(4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid

C22H32O5 (376.2249622)


Resolvin D1 (RvD1) 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).

   

Resolvin D2

(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoic acid

C22H32O5 (376.2249622)


Resolvin D2 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 D2 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).

   

Prehumulone

5,6-dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione

C22H32O5 (376.2249622)


Prehumulone is found in alcoholic beverages. Prehumulone is a minor constituent of hop

   

9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

1-[1-(Acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl 3-methylbut-2-enoic acid

C22H32O5 (376.2249622)


9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.

   

Macrophorin C

5-hydroxy-1-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

C22H32O5 (376.2249622)


Macrophorin C is found in pomes. Macrophorin C is from Macrophoma fruit ro From Macrophoma fruit rot. Macrophorin C is found in pomes.

   

9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

1-[1-(Acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoic acid

C22H32O5 (376.2249622)


9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.

   

11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid

3-hydroxy-3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]propanoic acid

C22H32O5 (376.2249622)


11b-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978). [HMDB] 11b-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978).

   

14-Hydroxy-E4-neuroprostane

(4Z)-6-[(1S,2R,3R)-3-hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl]hex-4-enoic acid

C22H32O5 (376.2249622)


14-Hydroxy-E4-neuroprostane, also known as 14-E4-NeuroP or 14H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 14-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 14-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]

   

17-Hydroxy-E4-neuroprostane

(4Z,7Z)-9-[(1S,2R,3R)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-5-oxocyclopentyl]nona-4,7-dienoic acid

C22H32O5 (376.2249622)


17-Hydroxy-E4-neuroprostane, also known as 17-E4-NeuroP or 17H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 17-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 17-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]

   

20-Hydroxy-E4-neuroprostane

(4Z,7Z,10Z)-12-[(1S,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxypent-1-en-1-yl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid

C22H32O5 (376.2249622)


20-Hydroxy-E4-neuroprostane, also known as 20-E4-NeuroP or 20H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 20-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 20-Hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]

   

4-Hydroxy-D4-neuroprostane

(4S,5E)-4-hydroxy-6-[(1S,2R,5S)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl]cyclopentyl]hex-5-enoic acid

C22H32O5 (376.2249622)


4-Hydroxy-D4-neuroprostane, also known as 4-D4-NeuroP or 4H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 4-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 4-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]

   

7-Hydroxy-D4-neuroprostane

(4Z,7S,8E)-7-hydroxy-9-[(1S,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3-oxocyclopentyl]nona-4,8-dienoic acid

C22H32O5 (376.2249622)


7-Hydroxy-D4-neuroprostane, also known as 7-D4-NeuroP or 7H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 7-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 7-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]

   

10-Hydroxy-D4-neuroprostane

(4Z,7Z,10S,11E)-10-hydroxy-12-[(1S,2R,5S)-5-hydroxy-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]dodeca-4,7,11-trienoic acid

C22H32O5 (376.2249622)


10-Hydroxy-D4-neuroprostane, also known as 10-D4-NeuroP or 10H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

   

10-Hydroxy-E4-neuroprostane

(4Z,7Z,10S,11E)-10-hydroxy-12-[(1S,2R,3R)-3-hydroxy-5-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]dodeca-4,7,11-trienoic acid

C22H32O5 (376.2249622)


10-Hydroxy-E4-neuroprostane, also known as 10-E4-NeuroP or 10H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

   

11-Hydroxy-D4-neuroprostane

3-[(1S,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl]-3-oxocyclopentyl]propanoic acid

C22H32O5 (376.2249622)


11-Hydroxy-D4-neuroprostane, also known as 11-D4-NeuroP or 11H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

   

11-Hydroxy-E4-neuroprostane

3-[(1S,2R,3R)-3-hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl]-5-oxocyclopentyl]propanoic acid

C22H32O5 (376.2249622)


11-Hydroxy-E4-neuroprostane, also known as 11-E4-NeuroP or 11H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

   

7,8,17-trihydroxy-4,9,11,13,15,19-docosahexaenoic acid

7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid

C22H32O5 (376.2249622)


   
   

Sarcophytonolide B

Sarcophytonolide B

C22H32O5 (376.2249622)


   

3-Oxo-18-acetoxy-8(17),13Z-labdadien-15-oic acid

3-Oxo-18-acetoxy-8(17),13Z-labdadien-15-oic acid

C22H32O5 (376.2249622)


   

Furodivaricatic acid

Furodivaricatic acid

C22H32O5 (376.2249622)


   
   
   
   
   

ent-6beta,17-Diacetoxy-14,15-dinor-7,11E-labdadien-13-one

ent-6beta,17-Diacetoxy-14,15-dinor-7,11E-labdadien-13-one

C22H32O5 (376.2249622)


   
   
   
   
   
   

(+)-Antibiotic SMP 2

(+)-Antibiotic SMP 2

C22H32O5 (376.2249622)


   

ent-1alpha-Acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one

(-)-ent-1alpha-Acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one

C22H32O5 (376.2249622)


   

19-Acetoxyichthyouleolide

19-Acetoxyichthyouleolide

C22H32O5 (376.2249622)


   
   
   
   
   

Sinulaflexiolide K

Sinulaflexiolide K

C22H32O5 (376.2249622)


   
   
   

Sarcophytonolide H

Sarcophytonolide H

C22H32O5 (376.2249622)


   
   
   

Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate

Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate

C22H32O5 (376.2249622)


   
   
   
   
   
   

16-Acetoxy-8,12-epoxy-14-oxo-12-labden-15-al

16-Acetoxy-8,12-epoxy-14-oxo-12-labden-15-al

C22H32O5 (376.2249622)


   

Ent-19-acetoxy-15,16-epoxy-3,13(16),14-clerodatrien-6,18-diol

(-)-Ent-19-acetoxy-15,16-epoxy-3,13(16),14-clerodatrien-6,18-diol

C22H32O5 (376.2249622)


   
   

(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid

(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid

C22H32O5 (376.2249622)


   

Prehumulone/Adprehumulone

Prehumulone/Adprehumulone

C22H32O5 (376.2249622)


   

Resolvin D3

4S,10,17S-trihydroxy-docosa-5E,7E,9E,12E,14E,19Z-hexaenoic acid

C22H32O5 (376.2249622)


A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.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_1min0210.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_1min0210.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_0000141.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_0000141.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_0000141.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_0000141.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_0000141.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_0000141.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]

   

Acetylandromedienol

Acetylandromedienol

C22H32O5 (376.2249622)


   
   
   

(2S,5S,13Z)-5-acetoxy-2-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al

(2S,5S,13Z)-5-acetoxy-2-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al

C22H32O5 (376.2249622)


   

PGE2-1,15-lactone-11-acetate

PGE2-1,15-lactone-11-acetate

C22H32O5 (376.2249622)


   

7alpha,12alpha-dihydroxy-3-oxo-23,24-dinorchol-4-enoic acid

7alpha,12alpha-dihydroxy-3-oxo-23,24-dinorchol-4-enoic acid

C22H32O5 (376.2249622)


   

1-hydroxyialibinone D|rel-(2R,3aR,7R,8aR)-1,2,3,7,8,8a-hexahydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-1,1,7-trimethyl-5-(2-methylbutanoyl)-4H-3a,7-methanoazulene-4,9-dione

1-hydroxyialibinone D|rel-(2R,3aR,7R,8aR)-1,2,3,7,8,8a-hexahydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-1,1,7-trimethyl-5-(2-methylbutanoyl)-4H-3a,7-methanoazulene-4,9-dione

C22H32O5 (376.2249622)


   

19-Acetoxy-3-oxo-16alpha-(-)-kauran-17-oic acid

19-Acetoxy-3-oxo-16alpha-(-)-kauran-17-oic acid

C22H32O5 (376.2249622)


   

15-methoxy-16-oxo-15,16H-hardwickiic acid methyl ester|methyl ester of 15-methoxy-16-oxo-15,16H-hardwickiic acid

15-methoxy-16-oxo-15,16H-hardwickiic acid methyl ester|methyl ester of 15-methoxy-16-oxo-15,16H-hardwickiic acid

C22H32O5 (376.2249622)


   

(2S,5R,13Z)-2-acetoxy-5-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al

(2S,5R,13Z)-2-acetoxy-5-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al

C22H32O5 (376.2249622)


   

ent-18-acetoxy-3beta,7alpha-dihydroxykaur-15-en-17-al

ent-18-acetoxy-3beta,7alpha-dihydroxykaur-15-en-17-al

C22H32O5 (376.2249622)


   

4-Acetoxy-18-hydroxycrenulide

4-Acetoxy-18-hydroxycrenulide

C22H32O5 (376.2249622)


   
   
   

Eupalmerin acetate

Eupalmerin acetate

C22H32O5 (376.2249622)


   
   

1-epi-sinulariolide acetate|11-Epi-sinulariolide acetate

1-epi-sinulariolide acetate|11-Epi-sinulariolide acetate

C22H32O5 (376.2249622)


   

(+)-norrisolide|Norrisolide

(+)-norrisolide|Norrisolide

C22H32O5 (376.2249622)


   

ent-3beta-acetoxy-7alpha,18-dihydroxykaur-15-en-17-al

ent-3beta-acetoxy-7alpha,18-dihydroxykaur-15-en-17-al

C22H32O5 (376.2249622)


   

(1alpha,3beta,5beta,9beta,10alpha,11beta,13beta)-1,11,16-trihydroxyabieta-6,8(14),15(17)-trien-3-yl acetate|ent-abienervonin B

(1alpha,3beta,5beta,9beta,10alpha,11beta,13beta)-1,11,16-trihydroxyabieta-6,8(14),15(17)-trien-3-yl acetate|ent-abienervonin B

C22H32O5 (376.2249622)


   
   
   
   

4-Ketone,11-Ac-(4beta,11beta)-2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol|?藛7(19)-Isomer,4-ketone,11-deacyl,11-Ac-Asbestinin 2

4-Ketone,11-Ac-(4beta,11beta)-2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol|?藛7(19)-Isomer,4-ketone,11-deacyl,11-Ac-Asbestinin 2

C22H32O5 (376.2249622)


   
   
   
   
   

2-Acetoxy-2,5,5,8a-tetramethyldispiro[decalin-1,2-oxolane-5,3(2H)-furan]-3-one

2-Acetoxy-2,5,5,8a-tetramethyldispiro[decalin-1,2-oxolane-5,3(2H)-furan]-3-one

C22H32O5 (376.2249622)


   

9-Ac-(ent-15beta)-9, 15-Dihydroxy-16-kauren-19-oic acid

9-Ac-(ent-15beta)-9, 15-Dihydroxy-16-kauren-19-oic acid

C22H32O5 (376.2249622)


   

(8E,11R,12R,13R)-11-(acetyloxy)-5,9-dimethyl-12-(1-methylethyl)-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione|sacrophytonolide J|sarcophytonolide J

(8E,11R,12R,13R)-11-(acetyloxy)-5,9-dimethyl-12-(1-methylethyl)-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione|sacrophytonolide J|sarcophytonolide J

C22H32O5 (376.2249622)


   

(2R,3R,4S,6E,9E,10R)-17-acetoxyxenic-4-hydroxy-6,9,13-trien-1,2-dial|17-Ac-(1(9)E,4S,6E,10R)-4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial

(2R,3R,4S,6E,9E,10R)-17-acetoxyxenic-4-hydroxy-6,9,13-trien-1,2-dial|17-Ac-(1(9)E,4S,6E,10R)-4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial

C22H32O5 (376.2249622)


   
   
   

11R*-acetoxy-2-oxo-neocleroda-3,13E-dien-15-oic acid|11R*-acetoxy-2-oxokolavenic acid

11R*-acetoxy-2-oxo-neocleroda-3,13E-dien-15-oic acid|11R*-acetoxy-2-oxokolavenic acid

C22H32O5 (376.2249622)


   

(+/-)-6,7-trans-epoxycannabigerolic acid

(+/-)-6,7-trans-epoxycannabigerolic acid

C22H32O5 (376.2249622)


   
   

1,15-Lactone,11-Ac-9,11,15-Trihydroxyprosta-5,13,17-trienoic acid,9CI|prostaglandin F3alpha 1,15-lactone 11-acetate

1,15-Lactone,11-Ac-9,11,15-Trihydroxyprosta-5,13,17-trienoic acid,9CI|prostaglandin F3alpha 1,15-lactone 11-acetate

C22H32O5 (376.2249622)


   

16-acetoxy-18-oxo-kolavenic acid

16-acetoxy-18-oxo-kolavenic acid

C22H32O5 (376.2249622)


   
   

irciformonin A|irciformonin J|rel-(5R)-5-[(1S,5E,8E)-11-(furan-3-yl)-1,4-dihydroxy-4,8-dimethylundeca-5,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one

irciformonin A|irciformonin J|rel-(5R)-5-[(1S,5E,8E)-11-(furan-3-yl)-1,4-dihydroxy-4,8-dimethylundeca-5,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one

C22H32O5 (376.2249622)


   

Compound 1 (Isodon umbrosa)

Compound 1 (Isodon umbrosa)

C22H32O5 (376.2249622)


   
   

8-(4-Hydroxybenzoyl)-4(15)-Germacrene-6,8,10-triol

8-(4-Hydroxybenzoyl)-4(15)-Germacrene-6,8,10-triol

C22H32O5 (376.2249622)


   
   
   
   
   

(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one

(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one

C22H32O5 (376.2249622)


A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.

   

(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one

(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one

C22H32O5 (376.2249622)


A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.

   

6beta-acetoxy-7beta-hydroxyvouacapen-5alpha-ol|pulcherrin F

6beta-acetoxy-7beta-hydroxyvouacapen-5alpha-ol|pulcherrin F

C22H32O5 (376.2249622)


   

6beta-hydroxy-7beta-acetoxyvouacapen-5alpha-ol|pulcherrin E

6beta-hydroxy-7beta-acetoxyvouacapen-5alpha-ol|pulcherrin E

C22H32O5 (376.2249622)


   

irciformonin B

irciformonin B

C22H32O5 (376.2249622)


A natural product found in Ircinia species and Ircinia formosana.

   

4-O-acetylcuauthemone-3-O-angelate

4-O-acetylcuauthemone-3-O-angelate

C22H32O5 (376.2249622)


   

ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one

ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one

C22H32O5 (376.2249622)


   
   

(1aR,3aR,5E,7S,12R,13aR)-4,7,8,9,10,11,12,13-octahydro-3a-hydroxy-5,13,13-trimethyl-9-methylidene-3aH-1a,12-ethanocyclododeca[b]oxireno[c]furan-7(2H)-yl acetate|cespitulin G

(1aR,3aR,5E,7S,12R,13aR)-4,7,8,9,10,11,12,13-octahydro-3a-hydroxy-5,13,13-trimethyl-9-methylidene-3aH-1a,12-ethanocyclododeca[b]oxireno[c]furan-7(2H)-yl acetate|cespitulin G

C22H32O5 (376.2249622)


   

8-Acetoxy-15,16-epoxy-8,9-secolabda-13(16),14-diene-7,9-dione

8-Acetoxy-15,16-epoxy-8,9-secolabda-13(16),14-diene-7,9-dione

C22H32O5 (376.2249622)


   
   
   
   

Cadlinolide B acetate; Tetrahydroaplysulphurin-1|tetrahydroaplysulfurin-1|Tetrahydroaplysulphurin-1

Cadlinolide B acetate; Tetrahydroaplysulphurin-1|tetrahydroaplysulfurin-1|Tetrahydroaplysulphurin-1

C22H32O5 (376.2249622)


   
   
   

15-O-acetyl-17-hydroxyjolkinol

15-O-acetyl-17-hydroxyjolkinol

C22H32O5 (376.2249622)


   

caesalfurfuric acid A

caesalfurfuric acid A

C22H32O5 (376.2249622)


   
   
   

Hypoestoxide, Hypoestes rosea

Hypoestoxide, Hypoestes rosea

C22H32O5 (376.2249622)


   
   

(1S*,4S*,5S*,9R*,11S*,13E)-16-O-acetyl-15-hydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one|gibberosin H

(1S*,4S*,5S*,9R*,11S*,13E)-16-O-acetyl-15-hydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one|gibberosin H

C22H32O5 (376.2249622)


   

2beta-acetoxy-6beta-angeloyloxy-7alpha-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,8-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol

2beta-acetoxy-6beta-angeloyloxy-7alpha-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,8-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol

C22H32O5 (376.2249622)


   

ent-12beta-acetoxy-15beta-hydroxykaur-16-en-19-oic acid

ent-12beta-acetoxy-15beta-hydroxykaur-16-en-19-oic acid

C22H32O5 (376.2249622)


   

16-acetoxy-2-oxo-ent-labda-8(17),13Z-dien-15-oic acid

16-acetoxy-2-oxo-ent-labda-8(17),13Z-dien-15-oic acid

C22H32O5 (376.2249622)


   

2beta-acetoxy-7alpha-angeloyloxy-6beta-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,9-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol

2beta-acetoxy-7alpha-angeloyloxy-6beta-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,9-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol

C22H32O5 (376.2249622)


   

1alpha-acetoxy-8alpha-angeloyloxy-10alphaH-eremophil-11(13)-en-9-one

1alpha-acetoxy-8alpha-angeloyloxy-10alphaH-eremophil-11(13)-en-9-one

C22H32O5 (376.2249622)


   

Compound 2 (Isodon umbrosa)

Compound 2 (Isodon umbrosa)

C22H32O5 (376.2249622)


   

17-acetoxy-14beta-hydroxy-15,16-epoxycleistanth-12-en-11-one

17-acetoxy-14beta-hydroxy-15,16-epoxycleistanth-12-en-11-one

C22H32O5 (376.2249622)


   

9beta-hydroxy-15alpha-acetoxy-ent-kaurenic acid

9beta-hydroxy-15alpha-acetoxy-ent-kaurenic acid

C22H32O5 (376.2249622)


   
   
   

8-Me ether,di-Ac-(8S,9R,10S)-1-Heptadecene-11,13-diyne-8,9,10-triol

8-Me ether,di-Ac-(8S,9R,10S)-1-Heptadecene-11,13-diyne-8,9,10-triol

C22H32O5 (376.2249622)


   
   

Ac-(ent-3beta,4beta,6beta,12Z)-3,4-Epoxy-6-hydroxy-12,14-clerodadien-20-oic acid|heteroscyphic acid C

Ac-(ent-3beta,4beta,6beta,12Z)-3,4-Epoxy-6-hydroxy-12,14-clerodadien-20-oic acid|heteroscyphic acid C

C22H32O5 (376.2249622)


   

dendrillolide A|Dendrillolide B

dendrillolide A|Dendrillolide B

C22H32O5 (376.2249622)


   

16-Ac-15,16-Dihydroxy-3-erythroxylene-2,7-dione|16-O-acetyl-2,7-dioxofagonene

16-Ac-15,16-Dihydroxy-3-erythroxylene-2,7-dione|16-O-acetyl-2,7-dioxofagonene

C22H32O5 (376.2249622)


   

4a,10beta-epoxy-7-hydroxy-8-isopropyl-9,9-dimethoxy-1,1-dimethyl-2,3,4,4a,5,10,11,11abeta-octahydro-1H-dibenzo[a,d]cycloheptan-6(9H)-one|abrotanone

4a,10beta-epoxy-7-hydroxy-8-isopropyl-9,9-dimethoxy-1,1-dimethyl-2,3,4,4a,5,10,11,11abeta-octahydro-1H-dibenzo[a,d]cycloheptan-6(9H)-one|abrotanone

C22H32O5 (376.2249622)


   

Pellianolactone B

Pellianolactone B

C22H32O5 (376.2249622)


   

17-acetoxy-4alpha-hydroxycrenulide

17-acetoxy-4alpha-hydroxycrenulide

C22H32O5 (376.2249622)


   
   

rel-(3R,4S,5R,7S,9R)-3-acetoxy-9-(3-methylbutanoyloxy)solavetivone

rel-(3R,4S,5R,7S,9R)-3-acetoxy-9-(3-methylbutanoyloxy)solavetivone

C22H32O5 (376.2249622)


   

methyl ent-16,17-dihydroxykauran-19-oic acid 16,17-acetonide

methyl ent-16,17-dihydroxykauran-19-oic acid 16,17-acetonide

C22H32O5 (376.2249622)


   

tetarhydroaplysulphurin-2

tetarhydroaplysulphurin-2

C22H32O5 (376.2249622)


   
   

Inflexarabdonin K|Inflexin

Inflexarabdonin K|Inflexin

C22H32O5 (376.2249622)


   

Rosthornin A

[(1R,4S,5R,9R,10S,11S,13R)-13-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecanyl] acetate

C22H32O5 (376.2249622)


   
   

pharicunin M|pseurata B acetal

pharicunin M|pseurata B acetal

C22H32O5 (376.2249622)


   

ent-12beta-acetoxy-7beta-hydroxykaur-16-en-19-oic acid

ent-12beta-acetoxy-7beta-hydroxykaur-16-en-19-oic acid

C22H32O5 (376.2249622)


   

3-angeloyloxy-8-acetoxy-10(14)-oplopen-4-one

3-angeloyloxy-8-acetoxy-10(14)-oplopen-4-one

C22H32O5 (376.2249622)


   

4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol-2-Ac

4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol-2-Ac

C22H32O5 (376.2249622)


   

ent-11alpha-acetoxy-7beta,14alpha-dihydroxy-16-kauren-15-one|ent-11alpha-acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one|ent-11??-Acetoxy-7??,14??-dihydroxykaur-16-en-15-one

ent-11alpha-acetoxy-7beta,14alpha-dihydroxy-16-kauren-15-one|ent-11alpha-acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one|ent-11??-Acetoxy-7??,14??-dihydroxykaur-16-en-15-one

C22H32O5 (376.2249622)


   

(+)-guanacastepene E|guanacastepene E

(+)-guanacastepene E|guanacastepene E

C22H32O5 (376.2249622)


   

RVD1

RVD1

C22H32O5 (376.2249622)


Chemical was purchased from CAY10012554 (Lot 0444872-22).; Diagnostic ions: 375.1, 276.7, 232.9, 203.0, 170.8, 141.0

   

C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)

NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-

C22H32O5 (376.2249622)


   

C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid

NCGC00384928-01_C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid

C22H32O5 (376.2249622)


   

C22H32O5_10H-Azuleno[4,5,6-cd]isobenzofuran-10-one, 9-(acetyloxy)-2,3,4,5,5a,6,7,7a,8,9,10a,10b-dodecahydro-3-hydroxy-5a,7a-dimethyl-8-(1-methylethyl)-, (3S,5aR,7aR,8R)

NCGC00381252-01_C22H32O5_10H-Azuleno[4,5,6-cd]isobenzofuran-10-one, 9-(acetyloxy)-2,3,4,5,5a,6,7,7a,8,9,10a,10b-dodecahydro-3-hydroxy-5a,7a-dimethyl-8-(1-methylethyl)-, (3S,5aR,7aR,8R)-

C22H32O5 (376.2249622)


   

(E)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid

(E)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid

C22H32O5 (376.2249622)


   

Resolvin D1-[d5]

Resolvin D1-[d5]

C22H32O5 (376.2249622)


CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0152.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_1min0152.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_1min0152.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_0001333.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_0001333.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_0001333.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_0001333.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_0001333.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_0001333.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]

   

Resolvin D2-[d5]

Resolvin D2-[d5]

C22H32O5 (376.2249622)


CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0197.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_1min0197.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_1min0197.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_0000129.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_0000129.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_0000129.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_0000129.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_0000129.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_0000129.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]

   

Resolvin D1

7S,8R,17S-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


   

20α-Dihydroethylprednisolone

20α-Dihydroethylprednisolone

C22H32O5 (376.2249622)


   

20β-Dihydroethylprednisolone

20β-Dihydroethylprednisolone

C22H32O5 (376.2249622)


   

Resolvin D4

4S,5,17S-trihydroxy-docosa-6E,8E,10E,13E,15Z,19Z-hexaenoic acid

C22H32O5 (376.2249622)


A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17S-stereoisomer).

   

11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

C22H32O5 (376.2249622)


   

HDOPA

3-hydroxy-3-[(10R,11S,13S)-11-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

C22H32O5 (376.2249622)


   

4S-hydroperoxy-17S-HDHA

4S-hydroperoxy-17S-hydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


   

AT-RvD1

7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


   

AT-RvD2

7S,16R,17R-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


   

AT-RvD4

4S,5,17R-trihydroxy-6E,8E,10E,13E,15Z,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


   

AT-RvD3

4S,11,17R- trihydroxy-5E,7E,9E,13Z,15E,19Z-docosahexaenoic-acid

C22H32O5 (376.2249622)


   

Prehumulone

5,6-dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione

C22H32O5 (376.2249622)


   

Macrophorin C

5-hydroxy-1-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

C22H32O5 (376.2249622)


   

9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

1-[1-(acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoate

C22H32O5 (376.2249622)


   

9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

1-[1-(acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl 3-methylbut-2-enoate

C22H32O5 (376.2249622)


   

FA 22:6;O3

3-((1S,2R,3R)-3-hydroxy-2-((S,1E,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl)-5-oxocyclopentyl)propanoic acid

C22H32O5 (376.2249622)


   

Resolvin D2

7S,16R,17S-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid

C22H32O5 (376.2249622)


A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17S-stereoisomer).

   

ST 22:3;O5

11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

C22H32O5 (376.2249622)


   

7-Octenoic acid, 5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxy-1-octenyl)phenyl)-, (5S,6R,7E)-

7-Octenoic acid, 5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxy-1-octenyl)phenyl)-, (5S,6R,7E)-

C22H32O5 (376.2249622)


   

(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid

(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid

C22H32O5 (376.2249622)


   

(4S,5R,6E,8E,10Z,13Z,15E,17R,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid

(4S,5R,6E,8E,10Z,13Z,15E,17R,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid

C22H32O5 (376.2249622)


   

Epoxypholamin A

Epoxypholamin A

C22H32O5 (376.2249622)


A natural product found in Paraconiothyrium species.

   

2-(1-Oxo-4-methylpentyl)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one

2-(1-Oxo-4-methylpentyl)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one

C22H32O5 (376.2249622)


   

17-epi-resolvin D3

17-epi-resolvin D3

C22H32O5 (376.2249622)


   

4S-hydroperoxy-17R-hydroxy-DHA

4S-hydroperoxy-17R-hydroxy-DHA

C22H32O5 (376.2249622)


   

7S-hydroperoxy-17R-hydroxy-DHA

7S-hydroperoxy-17R-hydroxy-DHA

C22H32O5 (376.2249622)


   

(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid

(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid

C22H32O5 (376.2249622)


   

7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid

7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid

C22H32O5 (376.2249622)


   

10(R),17(S),20-trihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid

10(R),17(S),20-trihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid

C22H32O5 (376.2249622)


   

16-Acetoxy-6-oxo-7,13-labdadien-15-oic acid

16-Acetoxy-6-oxo-7,13-labdadien-15-oic acid

C22H32O5 (376.2249622)


   

Eriocatisin A

Eriocatisin A

C22H32O5 (376.2249622)


A natural product found in Isodon eriocalyx.

   

(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one

(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one

C22H32O5 (376.2249622)


   

aspirin-triggered resolvin D2

aspirin-triggered resolvin D2

C22H32O5 (376.2249622)


A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer).

   

20-Hydroxy-E4-neuroprostane

20-Hydroxy-E4-neuroprostane

C22H32O5 (376.2249622)


   

3-hydroxy-3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]propanoic acid

3-hydroxy-3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]propanoic acid

C22H32O5 (376.2249622)


   

4-Hydroxy-D4-neuroprostane

4-Hydroxy-D4-neuroprostane

C22H32O5 (376.2249622)


   

7-Hydroxy-D4-neuroprostane

7-Hydroxy-D4-neuroprostane

C22H32O5 (376.2249622)


   

17-Hydroxy-E4-neuroprostane

17-Hydroxy-E4-neuroprostane

C22H32O5 (376.2249622)


   

14-Hydroxy-E4-neuroprostane

14-Hydroxy-E4-neuroprostane

C22H32O5 (376.2249622)


   

7-Acetoxy-6-hexyl-3,4-dihydro-2-methyl-2H-1-benzopyran-2-ethanol acetate

7-Acetoxy-6-hexyl-3,4-dihydro-2-methyl-2H-1-benzopyran-2-ethanol acetate

C22H32O5 (376.2249622)


   

aspirin-triggered resolvin D1

aspirin-triggered resolvin D1

C22H32O5 (376.2249622)


A member of the class of resolvins that consists of docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid carrying three hydroxy substituents at positions 7, 8, and 17 (the 7S,8R,17S-stereoisomer).

   

4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid

4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid

C22H32O5 (376.2249622)


A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17S-position.

   

4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid

4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid

C22H32O5 (376.2249622)


A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17R-position.

   

aspirin-triggered resolvin D4

aspirin-triggered resolvin D4

C22H32O5 (376.2249622)


A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17R-stereoisomer).

   

(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid

(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid

C22H32O5 (376.2249622)


   

5,6-Dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione

5,6-Dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione

C22H32O5 (376.2249622)


   
   

ent-11-D4t-NeuroP

ent-11-D4t-NeuroP

C22H32O5 (376.2249622)


   

ent-7-epi-4-D4c-NeuroP

ent-7-epi-4-D4c-NeuroP

C22H32O5 (376.2249622)


   

ent-14-epi-14-D4t-NeuroP

ent-14-epi-14-D4t-NeuroP

C22H32O5 (376.2249622)


   

ent-20-epi-20-E4t-NeuroP

ent-20-epi-20-E4t-NeuroP

C22H32O5 (376.2249622)


   

ent-13-epi-13-D4t-NeuroP

ent-13-epi-13-D4t-NeuroP

C22H32O5 (376.2249622)


   

22-hydroxyprotectin D1

22-hydroxyprotectin D1

C22H32O5 (376.2249622)


A docosanoid that is protectin D1 in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. An intermediate of specialised proresolving mediators

   

7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid

7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid

C22H32O5 (376.2249622)


A hydroperoxy fatty acid that is (4Z,8E,10Z,13Z,15E,19Z)-docosa-4,8,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 7S-position and a hydroxy group at the 17R-position. It is an intermediate involved in the resolvin D1 biosynthesis pathway.

   

aspirin-triggered resolvin D3

aspirin-triggered resolvin D3

C22H32O5 (376.2249622)


A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17R-stereoisomer)

   

Epoxypholamin E, (rel)-

Epoxypholamin E, (rel)-

C22H32O5 (376.2249622)


A natural product found in Paraconiothyrium species.

   

yanuthone H

yanuthone H

C22H32O5 (376.2249622)


A class I yanuthone that is 22-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.

   

Hydroxydioxopregnenoic acid

Hydroxydioxopregnenoic acid

C22H32O5 (376.2249622)