Exact Mass: 338.2820798
Exact Mass Matches: 338.2820798
Found 500 metabolites which its exact mass value is equals to given mass value 338.2820798,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
aphidicolin
A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
Clofilium
C21H37ClN+ (338.26143720000005)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
11,12-DiHETrE
11,12-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Arachidonic acid may be oxygenated by cytochrome P450 in several ways. Epoxidation of the double bonds leads to the regio- and enantioselective formation of four epoxyeicosatrienoic acids (EETs), which are hydrolyzed by epoxide hydrolase to vicinal diols (DHETs). 11,12-DiHETrE excretion is increased in healthy pregnant women compared with nonpregnant female volunteers, and increased even further in patients with pregnancy-induced hypertension (PIH). The physiological significance of arachidonic acid epoxides has been debated and it is unknown whether they play a role in pregnancy and parturition. Vasodilative effects, inhibition of cyclooxygenase, or inhibition of platelet aggregation by EETs have been observed only at micromolar concentrations. On the other hand, effects on the stimulus-secretion coupling during hormone release have been found in the nanomolar and picomolar range. (PMID: 9440131, 2198572) [HMDB] 11,12-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Arachidonic acid may be oxygenated by cytochrome P450 in several ways. Epoxidation of the double bonds leads to the regio- and enantioselective formation of four epoxyeicosatrienoic acids (EETs), which are hydrolyzed by epoxide hydrolase to vicinal diols (DHETs). 11,12-DiHETrE excretion is increased in healthy pregnant women compared with nonpregnant female volunteers, and increased even further in patients with pregnancy-induced hypertension (PIH). The physiological significance of arachidonic acid epoxides has been debated and it is unknown whether they play a role in pregnancy and parturition. Vasodilative effects, inhibition of cyclooxygenase, or inhibition of platelet aggregation by EETs have been observed only at micromolar concentrations. On the other hand, effects on the stimulus-secretion coupling during hormone release have been found in the nanomolar and picomolar range. (PMID: 9440131, 2198572).
14,15-DiHETrE
14,15-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Eicosanoids generated from arachidonic acid metabolism by cytochrome P450 (P450) enzymes are important autocrine and paracrine factors that have diverse biological functions. P450 eicosanoids are involved in the regulation of vascular tone, renal tubular transport, cardiac contractility, cellular proliferation, and inflammation. Regulation of P450 eicosanoid levels is determined by many factors, including the induction or repression of the P450 enzymes responsible for their formation. Fibrate drugs are part of a diverse group of compounds known as peroxisome proliferators, which also include herbicides and phthalate ester plasticizers. Peroxisome proliferators act via peroxisome proliferator-activated receptor (PPAR ). This receptor is a member of the PPAR nuclear receptor family that also consists of the PPAR and PPAR isoforms. PPAR is mainly expressed in the heart, liver, and kidney, whereas the expression of PPAR is predominantly in the adipose tissue. The biological role of PPAR as a lipid sensor has been well established. 14,15-DiHETrE is a potent activators of PPAR and PPAR . shown to induce the binding of PPAR to a peroxisome proliferator response element (PPRE). Furthermore, 14,15-DiHETrE behaves like peroxisome proliferators in that is able to alter apoA-I and apoA-II mRNA expression. 14,15-DiHETrE is the most potent PPARalpha activator in a COS-7 cell expression system producing a 12-fold increase in PPARalpha-mediated luciferase activity. (PMID: 17431031, 16113065) [HMDB] 14,15-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Eicosanoids generated from arachidonic acid metabolism by cytochrome P450 (P450) enzymes are important autocrine and paracrine factors that have diverse biological functions. P450 eicosanoids are involved in the regulation of vascular tone, renal tubular transport, cardiac contractility, cellular proliferation, and inflammation. Regulation of P450 eicosanoid levels is determined by many factors, including the induction or repression of the P450 enzymes responsible for their formation. Fibrate drugs are part of a diverse group of compounds known as peroxisome proliferators, which also include herbicides and phthalate ester plasticizers. Peroxisome proliferators act via peroxisome proliferator-activated receptor (PPAR). This receptor is a member of the PPAR nuclear receptor family that also consists of the PPAR and PPAR isoforms. PPAR is mainly expressed in the heart, liver, and kidney, whereas the expression of PPAR is predominantly in the adipose tissue. The biological role of PPAR as a lipid sensor has been well established. 14,15-DiHETrE is a potent activators of PPAR and PPAR, shown to induce the binding of PPAR to a peroxisome proliferator response element (PPRE). Furthermore, 14,15-DiHETrE behaves like peroxisome proliferators in that is able to alter apoA-I and apoA-II mRNA expression. 14,15-DiHETrE is the most potent PPARalpha activator in a COS-7 cell expression system producing a 12-fold increase in PPARalpha-mediated luciferase activity. (PMID: 17431031, 16113065).
8,9-DiHETrE
8,9-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Eicosanoids generated from arachidonic acid (AA) metabolism by cytochrome P450 (P450) enzymes are important autocrine and paracrine factors that have diverse biological functions. P450 eicosanoids are involved in the regulation of vascular tone, renal tubular transport, cardiac contractility, cellular proliferation, and inflammation. P450converts AA to 8,9- dihydroxyeicosatrienoic acid. This enzymatic pathway was first described in liver; however, it is now clear that AA can be metabolized by P450 in many tissues including the pituitary gland, eye, kidney, adrenal gland, and blood vessels. (PMID: 17431031, 11700990) [HMDB] 8,9-DiHETrE is a Cytochrome P450 (P450) eicosanoid. Eicosanoids generated from arachidonic acid (AA) metabolism by cytochrome P450 (P450) enzymes are important autocrine and paracrine factors that have diverse biological functions. P450 eicosanoids are involved in the regulation of vascular tone, renal tubular transport, cardiac contractility, cellular proliferation, and inflammation. P450converts AA to 8,9- dihydroxyeicosatrienoic acid. This enzymatic pathway was first described in liver; however, it is now clear that AA can be metabolized by P450 in many tissues including the pituitary gland, eye, kidney, adrenal gland, and blood vessels. (PMID: 17431031, 11700990).
5,6-DHET
5,6-DHET is an epoxide intermediate in the oxygenation of arachidonic acid by hepatic monooxygenases pathway. 5,6-DHET is the hydrolysis metabolite of cis-5(6)Epoxy-cis-8,11,14-eicosatrienoic acid by epoxide hydrolases. Many drugs, chemicals, and endogenous compounds are oxygenated in mammalian tissues and in some instances reactive and potentially toxic or carcinogenic epoxides are formed. Naturally occurring olefins may also be oxygenated by mammalian enzymes. The most well known are lipoxygenases and microsomal cytochrome P-450-linked monooxygenases. The epoxides may be chemically labile or may be enzymatically hydrolyzed. When arene or olefinic epoxides are formed by microsomal P-450-linked monooxygenases, they are often rapidly converted to less reactive trans-diols through the action of microsomal epoxide hydrolases. (PMID: 6801052, 6548162) [HMDB] 5,6-DHET is an epoxide intermediate in the oxygenation of arachidonic acid by hepatic monooxygenases pathway. 5,6-DHET is the hydrolysis metabolite of cis-5(6)Epoxy-cis-8,11,14-eicosatrienoic acid by epoxide hydrolases. Many drugs, chemicals, and endogenous compounds are oxygenated in mammalian tissues and in some instances reactive and potentially toxic or carcinogenic epoxides are formed. Naturally occurring olefins may also be oxygenated by mammalian enzymes. The most well known are lipoxygenases and microsomal cytochrome P-450-linked monooxygenases. The epoxides may be chemically labile or may be enzymatically hydrolyzed. When arene or olefinic epoxides are formed by microsomal P-450-linked monooxygenases, they are often rapidly converted to less reactive trans-diols through the action of microsomal epoxide hydrolases. (PMID: 6801052, 6548162).
Sterebin E
Sterebin F is a constituent of Stevia rebaudiana (stevia) Constituent of Stevia rebaudiana (stevia)
12-Keto-tetrahydro-leukotriene B4
12-keto-tetrahydro-Leukotriene B4 is an inactivated enzymatic metabolite of leukotriene B4(LTB4), product of the human liver enzyme leukotriene B4 (LTB4) 12-hydroxydehydrogenase, also found in the porcine kidney and other mammals. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 17623009, 8394361, 9667737)Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 12-keto-tetrahydro-Leukotriene B4 is an inactivated enzymatic metabolite of leukotriene B4(LTB4), product of the human liver enzyme leukotriene B4 (LTB4) 12-hydroxydehydrogenase, also found in the porcine kidney and other mammals. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 17623009, 8394361, 9667737)
10,11-dihydro-leukotriene B4
10,11-dihydro-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 10,11-Dihydro-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
6,7-dihydro-12-epi-LTB4
6,7-dihydro-12-epi-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 6,7-dihydro-12-epi-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737)
15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate
This compound belongs to the family of Hydroperoxyeicosatrienoic Acids. These are eicosanoic acids with an attached hydroperoxyl group and three CC double bonds
(+-)-Zoapatanol
5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, (5Z,8Z,11Z)-
3-Epiaphidicolin
(3S,4S)-4-[(E,2S,6R,8S,9R,10R)-9-Hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
Kirenol
Kirel
Kirenol is a diterpenoid. Kirenol is a natural product found in Sigesbeckia orientalis, Sigesbeckia glabrescens, and Sigesbeckia pubescens with data available. Kirenol is isolated from Siegesbeckia orientalis with anti-inflammatory and analgesic activity[1]. Kirenol is isolated from Siegesbeckia orientalis with anti-inflammatory and analgesic activity[1].
(ent-13S)-15,16-Dihydroxy-8(17)-labden-18-oic acid
8alpha,12R-Epoxy-13E-labden-1beta,6beta,11alpha-triol
(ent-6alpha,8alpha,13E)-6,8-Dihydroxy-13-labden-15-oic acid
(3S,4S)-4-[(E,2S,6R,8S,9R,10R)-9-Hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
(E,Z,Z)-3,7,11-Trihydroxymethyl-15-methyl-2,6,10,14-hexadecatetraen-1-ol
ballodiolic acid
A diterpenoid that is 3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid substituted by methyl groups at positions 5, 6 and 8a and a 5-hydroxy-3-(hydroxymethyl)pentyl group at position 5 (the 4aR,5S,6R,8aR stereoisomer). It is isolated from the whole plant of Ballota limbata (Syn.Otostegia limbata) and acts as a lipoxygenase inhibitor.
(1S,2E,4S,8R,11S,12R)-8,11-Epoxy-4,12-dihydroxy-2-cembren-6-one
14-(3-hydroxyisovaleryloxy)-nerolidol|14-<3-hydroxyisovaleryloxy>-nerolidol
1beta-(2-Methylbutyryloxy)-5beta-hydroxy-bisabolol|1beta-<2-Methylbutyryloxy>-5beta-hydroxy-bisabolol
(Z)-8beta,17-epoxy-14,15,16-trihydroxylabd-12-ene|8beta,17-epoxy-12(E)-labdene-14xi,15,16-triol|aulacocarpin C
2beta,13-dihydroxy-7beta-hydroperoxylabda-8,14-diene
(3alpha,16alpha)-ent-kaurane-3,16,17,19-tetrol|(3alpha,4alpha,16alpha)-ent-kauran-3,16,17,18-tetraol|16beta-(-)-Kauran-3alpha,16,17,19-tetrol
(1S,2E,4S,8S,11S)-4,8,11-Trihydroxy-2,12(20)-cembradien-6-one
(ent-8alpha,13R)-8,13-Epoxy-hydroxy-15-labdanoic acid|8beta,13beta-epoxy-18-hydroxy-ent-labdan-15-oic acid
15,15,16,16-Tetrahydro-3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone|Dihydromakubanolid A
ent-8,15R-epoxypimara-3beta,12alpha,16-triol|ent-8,15S-epoxypimara-3beta,12alpha,16-triol
(1S,2E,4R,6R,7E,10E,12S)-12-hydroperoxy-2,7,10-cembratriene-4,6-diol
ent-13-epi-8,13-epoxy-14R,15-dihydroxylabdan-3-one
(9Z,12Z)-6-Ac-6-Hydroxy-9,12-octadecadienoic acid|6-acetoxylinoleic acid
(ent-13xi)-3,4-Seco-7-labdene-3,15-dioic acid|5beta,9betaH,10alpha,3,4-seco-labd-7-en-3,15-dioic acid
3, 18-Dihydroxypalarosane|3alpha-19-Dihydroxypalarosan
2beta,6beta,16alpha,17-tetrahydroxy-ent-kaurane|pterokaurane M3
9,13:15,16-diepoxylabdane-6beta,15alpha-diol|leoleorin E
9,13:15,16-diepoxylabdane-6beta,16beta-diol|leoleorin F
9,13-epoxylabd-5-ene-7beta,15,16-triol|leoleorin J
(1S,2E,4S,6R,7E,11S)-11-hydroperoxy-2,7,12(20)-cembratriene-4,6-diol
2beta,15alpha,16alpha,17-Tetrahydroxy-(-)-kauran|2beta,15alpha,16alpha,17-tetrahydroxy-ent-kaurane
(2E,4betaH,5beta,6beta,7E,10alpha)-2,7-Dolabelladiene-5,6,10,18-tetrol
(1S,2E,4S,6R,7S,8R,11S)-8,11-Epoxy-2,12(20)-cembradiene-4,6,7-triol
(ent-2alpha, 3alpha, 15R)-8(14)-Pimarene-2, 3, 15, 16-tetrol|2beta,3beta,15,16-tetrahydroxy-ent-pimar-8(14)-en
amentotaxin A|labda-8(20),14-diene-7,12,13,18-tetrol
(ent-1beta,11beta,15?)-1,11,15,16-Devadaranetetrol|ent-devadaran-1beta,11beta,15xi,16-tetraol|erythroxydiol X
(4R,8S,9R,14S)-4alpha,8beta,9alpha,14alpha-tetrahydroxydolast-1(15)-ene
3-Hexadecyldihydro-4-hydroxy-5-methylene-2(3H)-furanone
9-Isovaleryloxy-geraniolisovelerat|octa-2Z/6E-diene-1,8-diol diisovalerate
4-Deoxy,4,18-didehydro,4?鈥?18-epoxide-4,15,16-Trihydroxy-4,5-seco-5-rosanone|ent-15xi,16-dihydroxy-4xi,18-epoxypictan-5-one
(-)-cladiell-11-ene-3,6,7-triol|(?)-cladiell-11-ene-3,6,7-triol|cladiell-11-ene-3,6,7-triol
2beta,13-dihydroxy-7beta-hydroperoxylabda-8(17),14-diene
(2beta,3alpha,16alpha)-ent-kaurane-2,3,16,17-tetrol
5-isovalerate of ferutriol|6-(3-Methylbutanoyl)9-Daucene-4,6,8-triol
Sterebin E
Sterebin E is a natural product found in Stevia rebaudiana with data available.
5-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
C20H34O4_1-Naphthalenecarboxylic acid, decahydro-6-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a,6-trimethyl-, (1S,4aS,5R,6R)
2-(2-hydroxybut-3-en-2-yl)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4,5-diol
11,12-DHET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0230.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_1min0230.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_1min0230.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_0000157.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_0000157.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_0000157.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_0000157.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_0000157.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_0000157.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
14,15-DHET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0224.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_1min0224.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_1min0224.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_0000155.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_0000155.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_0000155.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_0000155.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_0000155.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_0000155.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
8,9-DHET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0235.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_1min0235.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_1min0235.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_0000159.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_0000159.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_0000159.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_0000159.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_0000159.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_0000159.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
11-deoxy-PGE1
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Origin: Plant; SubCategory_DNP: Lipids, Prostaglandins
N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)-4-methylpentanamide
C20H38N2O2 (338.29331279999997)
2-(2-hydroxybut-3-en-2-yl)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4,5-diol_major
2-(2-hydroxybut-3-en-2-yl)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4,5-diol_98.9\\%
kirenol
Kirenol is isolated from Siegesbeckia orientalis with anti-inflammatory and analgesic activity[1]. Kirenol is isolated from Siegesbeckia orientalis with anti-inflammatory and analgesic activity[1].
8R,9S-epoxy-10S-hydroxy-11Z,14Z-eicosadienoic acid.
Doproston
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
5,6-DHET
A DHET obtained by formal dihydroxylation across the 5,6-double bond of arachidonic acid.
di-tert-butyl alpha,alpha,alpha,alpha-tetramethyl-(p-phenylenedimethylene) diperoxide
(4E,6R,8S,9E,11S)-6,8-Dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-4,9-pentadecadienal
(1S,2E,4S,7E,11S,12R)-4,11-12-Trihydroxycembra-2,7-dien-6-one
(1S,2E,4S,8S,11S,12R)-4,12-Dihydroxy-2-cembren-8,11-epoxybridged-6-one
(1S,2E,4S,6R,7E,11S)-Cembra-2,7,12(20)-triene-4,6-11-hydroperoxide
(1S,2E,4R,6R,7E,11S)-Cembra-2,7,12(20)-triene-4,6-diol-11-hydroperoxide
(1S,2E,4S,6R,7E,10E,12R)-Cembra-2,7,10-triene-4,6,diol-12-hydroperoxide
(1S,2E,4R,6R,7E,10E,12S)-Cembra-2,7,10-triene-4,6-diol-12-hydroperoxide
(1S,2E,4S,8R,11S,12R)-4,12-Dihydroxycembra-2-en-8,11-epoxybridged-6-one
(1S,2E,4S,8R,11S,12S)-4,12-Dihydroxy-2-cembren-8,11-epoxybridged-6-one
(1S,4aS,5R,6R)-6-hydroxy-5-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
5-[4a,5-Bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
N-oleoylglycinate
An N-acylglycinate resulting from the deprotonation of the carboxy group of N-oleoylglycine. It is believed to be an intermediate in oleamide biosynthesis. The major species at pH 7.3.
(2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
4-[(E)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one
(2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
17-Hydroxycyclooctatin, (rel)-
A natural product found in Streptomyces species.
(5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosa-5,8,11-trienoic acid
(15S)-hydroperoxy-(8Z,11Z,13E)-eicosatrienoic acid
12-HPE(8,10,14)TrE
A hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12.
12(S)-HPE(5,8,10)TrE
A hydroperoxy fatty acid that is (5Z,8Z,10E)-icosatrienoic acid in which the hydroperoxy group is located at the 12(S)-position.
12(S)-HPE(8,10,14)TrE
A hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at the 12(S)-position.
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
(5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosa-5,8,14-trienoic acid
(5Z,8R,9R,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
(5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
(5Z,13E,9S,11R)-9,11-dihydroxy-5,13-prostadienoic acid
(5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosa-5,8,14-trienoic acid
(5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosa-5,8,11-trienoic acid
(10E,14Z,17Z)-12-hydroperoxyicosa-10,14,17-trienoic acid
(E)-12-hydroxy-13-[3-[(Z)-pent-2-enyl]oxiran-2-yl]tridec-10-enoic acid
9-[3-[(3Z,6Z)-1-hydroxynona-3,6-dienyl]oxiran-2-yl]nonanoic acid
(1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-Eunicella-11-ene-3,6,7-triol
8alpha,19-dihydroxylabd-13E-ene-15-oic acid
A labdane diterpenoid that is labdane with a double bond at position 13 and is substituted by hydroxy groups at positions 8alpha and 19 and a carboxy group at position 15. Isolated from the aerial parts of Crassocephalum mannii, it exhibits inhibitory activity towards cyclooxygenases (COX-1 and COX-2).
10,11-dihydroleukotriene B4
A leukotriene obtained by formal dehydrogenation of the 10,11-double bond in leukotriene B4.
(5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosatrienoic acid
A (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid in which the two stereocentres at positions 14 and 15 both have R-configuration.
(5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoic acid
A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have S-configuration.
(5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid
A DHET obtained by formal dihydroxylation across the 14,15-double bond of arachidonic acid.
(5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid
A DHET obtained by formal dihydroxylation across the 11,12-double bond of arachidonic acid.
(5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid
A DHET obtained by formal dihydroxylation across the 8,9-double bond of arachidonic acid.
(5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoic acid
A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid in which the two stereocentres at positions 8 and 9 both have S-configuration.
(5Z,8R,9R,11Z,14Z)-8,9-dihydroxyicosatrienoic acid
A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid in which the two stereocentres at positions 8 and 9 both have R-configuration.
(5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoic acid
A (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid in which the two stereocentres at positions 14 and 15 both have S-configuration.
(5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoic acid
A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have R-configuration.
MG(18:3)
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