Exact Mass: 338.2163256
Exact Mass Matches: 338.2163256
Found 500 metabolites which its exact mass value is equals to given mass value 338.2163256,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
resmethrin
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10701; ORIGINAL_PRECURSOR_SCAN_NO 10696 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10728; ORIGINAL_PRECURSOR_SCAN_NO 10725 INTERNAL_ID 158; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10714; ORIGINAL_PRECURSOR_SCAN_NO 10710 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10668; ORIGINAL_PRECURSOR_SCAN_NO 10665 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
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
coronardine
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
PIPERONYL BUTOXIDE
CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5757 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5731 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5682; ORIGINAL_PRECURSOR_SCAN_NO 5681 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5667; ORIGINAL_PRECURSOR_SCAN_NO 5666 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5702; ORIGINAL_PRECURSOR_SCAN_NO 5701 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5704; ORIGINAL_PRECURSOR_SCAN_NO 5702 D010575 - Pesticides > D010574 - Pesticide Synergists CONFIDENCE standard compound; INTERNAL_ID 2296 D016573 - Agrochemicals
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).
Aspidospermatine
Aspidospermatine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Epicainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
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).
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
C20H28F2O2 (338.20572519999996)
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
monacolin J acid
A polyketide obtained by hydrolysis of the pyranone ring of monacolin J.
BIORESMETHRIN
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10702; ORIGINAL_PRECURSOR_SCAN_NO 10700 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10720; ORIGINAL_PRECURSOR_SCAN_NO 10715 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10634; ORIGINAL_PRECURSOR_SCAN_NO 10633 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10687; ORIGINAL_PRECURSOR_SCAN_NO 10684 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10657; ORIGINAL_PRECURSOR_SCAN_NO 10655 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10733; ORIGINAL_PRECURSOR_SCAN_NO 10731
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one
Dodecyl gallate
Dodecyl gallate is an antioxidant used in foods especially oil, fats, cheeses and mashed potato. Dodecyl gallate is a permitted for use in margarine in USA. Possesses same antioxidant effects as propyl gallate but incr. alkyl chain length gives rise to greater fat solubility. Antioxidant used in foods especies oil, fats, cheeses and mashed potato. Permitted for use in margarine in USA. Possesses same antioxidant effects as propyl gallate but incr. alkyl chain length gives rise to greater fat solubility
Sterebin E
Sterebin F is a constituent of Stevia rebaudiana (stevia) Constituent of Stevia rebaudiana (stevia)
[6]-Gingerdiol 5-acetate
[6]-Gingerdiol 5-acetate is found in ginger. [6]-Gingerdiol 5-acetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 5-acetate is found in herbs and spices and ginger.
[6]-Gingerdiol 3-acetate
[6]-Gingerdiol 3-acetate is found in herbs and spices. [6]-Gingerdiol 3-acetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 3-acetate is found in herbs and spices.
Lisuride
Lisuride is only found in individuals that have used or taken this drug. It is used for the management of Parkinsons Disease.Lisuride is an anti-Parkinson drug chemically related to the dopaminergic ergoline Parkinsons drugs. Lisuride binds to the 5-HT(1A) and 5-HT(2A/2C) receptors. It is also thought to bind to the dopamine receptor and to act as a dopamine agonist. Evidence has also emerged that Lisuride also binds to the Histamine H1 receptor. Lisuride is also used to lower prolactin and, in low doses, to prevent migraine attacks. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CB - Prolactine inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
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)
Santalyl phenylacetate
beta-Santalyl phenylacetate is a mixture with a-santalyl phenylacetate (*FEMA 3008*) is used as flavouring ingredient. It is used as a food additive .
alpha-Santalyl phenylacetate
Mixtures with b-santalyl phenylacetate are used as flavouring ingredients. Mixts. with b-santalyl phenylacetate are used as flavouring ingredients
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
3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-diene
(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
2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
O-Demethylencainide
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Pirmenol
(8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
(3R)-Acetoxy-(5S)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane
(3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane is a member of the class of compounds known as fatty alcohol esters. Fatty alcohol esters are ester derivatives of a fatty alcohol (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane can be found in ginger, which makes (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane a potential biomarker for the consumption of this food product.
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].
(+)-Vincadifformine
An aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
(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
(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
(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.
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 5,9-diacetate
Vincadifformine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
idebenone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Idebenone, a well-appreciated mitochondrial protectant, exhibits protective efficacy against neurotoxicity and can be used for the research of Alzheimer's disease, Huntington's disease. Idebenone (oxidised form) has a dose-dependent inhibitory effect on the enzymatic metabolism of arachidonic acid in astroglial homogenates (IC50=16.65 μM)[1]. Idebenone, a coenzyme Q10 analog and an antioxidant, induces apoptotic cell death in the human dopaminergic neuroblastoma SHSY-5Y cells[2]. Idebenone quickly crosses the blood-brain barrier.
(1S,2E,4S,8R,11S,12R)-8,11-Epoxy-4,12-dihydroxy-2-cembren-6-one
akendo 4|ent-2-seco-3-nor-5alpha,4,15-dioxo-16-hydroxydolabr-2-oic acid|ent-2-seco-3-nor-5alpha,4,15-dioxo-16-hydroxydolabran-2-oic acid
(-)-17-O-Methylakagerine|17-O-Methylakagerina|17-O-Methylakagerine|7-O-methylakagerine
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
(1S,5S,6S,9R,11S)-5,14-dimethoxy-12-acetoxycaryophyll-2(15)-en-7-one
1-formyl-17-methoxy-aspidofractinine|6-formyl-7-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|N-Formyl-17-methoxy-aspidofractinin
1,5-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8,12-diacetoxyfarnesol
2beta,13-dihydroxy-7beta-hydroperoxylabda-8,14-diene
1-formyl-6-methoxy-aspidofractinine|6-formyl-3-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|Refractidin
(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
2-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]-1,4-benzoquinone|Panicein A
7alpha(S),9alpha(R)-diacetoxy-8alpha(R)-hydroxy-1(12)-caryophyllene
(10R)-2,4-dihydroxy-6-(10-methoxyundecyl)benzoic acid
5,7-dimethoxy-8-prenylflavan|Di-Me ether-(S)-5,7-Dihydroxy-8-prenylflavan
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
3-Ethyl-2,19-dioxabicyclo(16.3.1(docosa-3,6,9,18(22),21-pentaen-12-yn-20-one
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
(3E,4R*,5S*)-4,5-dihydro-3-[10-(3,6-dihydro-1,2-dioxin-3-yl)decylidene]-4-hydroxy-5-methylfuran-2(3H)-one|litseadioxanin A
2beta,6beta,16alpha,17-tetrahydroxy-ent-kaurane|pterokaurane M3
5,12-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8-acetoxy-12-hydroxyfarnesyl acetate
3beta-acetoxypolygodial 11alpha,12alpha-dimethyl acetal|3beta-acetoxypolygodial 12alpha-acetal
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
2-(2,12b-dimethyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-2-methyl-but-3-en-1-ol|3,15,16-trimethyl-16-vinyl-18,19-dinor-corynan-17-ol
(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
17-hydroxy-1-methyl-vobasan-3-one|N(a)-Methyl-epi-affinin
(ent-2alpha, 3alpha, 15R)-8(14)-Pimarene-2, 3, 15, 16-tetrol|2beta,3beta,15,16-tetrahydroxy-ent-pimar-8(14)-en
1,12-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|12-acetoxy-8-hydroxyfarnesyl acetate
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
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
2-prenyl-3,5,4-trimethoxystilbene|3,5,4-trimethoxy-2-prenylstilbene|Tri-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
(-)-cladiell-11-ene-3,6,7-triol|(?)-cladiell-11-ene-3,6,7-triol|cladiell-11-ene-3,6,7-triol
1beta,3beta,5,6beta-tetrahydroxy-5alpha-androstane-17-one
(4E)-3-hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid methyl ester
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylcyclohexa-2,5-diene-1,4-dione|Furanoquinone
Me ester-Piptoporic acid|piptoporic acid methyl ester
(-)-dihydroalstonerine|20,21-dihydroalstonerine|alstoserine
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
Coronaridine
(-)-coronaridine is a monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. It has a role as an antileishmanial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monoterpenoid indole alkaloid, a methyl ester, an organic heteropentacyclic compound and an alkaloid ester. It is a conjugate base of a (-)-coronaridine(1+). Coronaridine is a natural product found in Voacanga schweinfurthii, Tabernanthe iboga, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
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)
C21H26N2O2_Ibogamine-18-carboxylic acid, methyl ester
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
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
Retuline
A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.
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, ]
methyl(2|A,3|A,5|A)-aspidofractinine-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Kopsinine; PRIME Parent Name:Kopsinine; PRIME in-house No.:V0259; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
methyl (4S,19S,1R,20R)-20-methyl-5,15-diazahexacyclo(10.6.1.1(1,4).0(4,12).0(6,11).0(5,19))icosa-6(11),7,9-triene-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Pseudocopsinine; PRIME Parent Name:Pseudocopsinine; PRIME in-house No.:V0356; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
11-deoxy-PGE1
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Origin: Plant; SubCategory_DNP: Lipids, Prostaglandins
Dodecyl gallate
CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5704; ORIGINAL_PRECURSOR_SCAN_NO 5702 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5702; ORIGINAL_PRECURSOR_SCAN_NO 5701 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5667; ORIGINAL_PRECURSOR_SCAN_NO 5666 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5682; ORIGINAL_PRECURSOR_SCAN_NO 5681 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5731 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5757
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\\%
PIPERONYL BUTOXIDE
D010575 - Pesticides > D010574 - Pesticide Synergists D016573 - Agrochemicals
Lisuride
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CB - Prolactine inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
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].
Santalyl phenylacetate
a-Santalyl phenylacetate
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.
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
1h-1,4-diazepine-5-carboxylic acid, hexahydro-1,4-bis(phenylmethyl)-, methyl ester
2-hydroxyhexadecyl dihydrogen phosphate
C16H35O5P (338.22219900000005)
Ne-Boc-L-lysine tert-butylester hydrochloride
C15H31ClN2O4 (338.19722360000003)
10-HYDROXY-1-(2-HYDROXY-3,4-DIMETHOXY-6-METHYLPHENYL)DECAN-1-ONE
6-(tert-Butyloxycarbonylamino) pyridine-3-boronic acid pinacol ester
3-BIPHENYL-4-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,2,3-Trifluoro-4-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]-benzene
di-tert-butyl alpha,alpha,alpha,alpha-tetramethyl-(p-phenylenedimethylene) diperoxide
(5-benzyl-2-furyl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)c yclopropane-1-carboxylate
4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
N-tert-butylprop-2-enamide,1-ethenylpyrrolidin-2-one,ethyl prop-2-enoate
1-[1-(4-Fluorobenzyl)-1H-Benzimidazole-2yl]-N-Methyl-4-piperidineamine
C20H23FN4 (338.19066499999997)
oxido-(4-pentylphenyl)-(4-pentylphenyl)iminoazanium
ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
(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
1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID
5-[Bis(2-methyl-2-propanyl)phosphino]-1-(1-naphthyl)-1H-pyrazole
C21H27N2P (338.19117520000003)
1,2,3-Trifluoro-5-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]benzene
Dihexyl 1,2-(2H4)benzenedicarboxylate
C20H26D4O4 (338.23950671200004)
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
(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
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one
resmethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
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
(+)-7-iso-12-hydroxyjasmonoyl-L-isoleucine
C18H28NO5- (338.19673780000005)
(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
methyl (1S,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
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
[3-carboxy-2-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxypropyl]-trimethylazanium
2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
9-[(6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one
[3-carboxy-2-[(2E,5E,8E)-dodeca-2,5,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,10E)-dodeca-4,6,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,8E)-dodeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,10E)-dodeca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-dodeca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-dodeca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E,10E)-dodeca-6,8,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E,9E)-dodeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
(2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
s-(-)-lisuride
17-Hydroxycyclooctatin, (rel)-
A natural product found in Streptomyces species.
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide
(2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
C16H26N4O4 (338.19539560000004)
(5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosa-5,8,11-trienoic acid
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
(2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate
C18H28NO5- (338.19673780000005)
2-[3-[2-[5-Ethyl-3,4-dihydropyridine-1(2H)-yl]ethyl]-1H-indol-2-yl]acrylic acid methyl ester
(15S)-hydroperoxy-(8Z,11Z,13E)-eicosatrienoic acid
N-[(2S,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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.
(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
(9R,17S)-9-fluoro-6,11,17-trihydroxy-10,17-dimethyl-2,4,5,6,7,8,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(3R,9R,17S)-9-fluoro-10,13,17-trimethyl-2,3,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
(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
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
methyl (15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (12S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
2,5-Bis(N-hexylmethylsilyl)thiophene
C18H34SSi2 (338.19196439999996)
(1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-Eunicella-11-ene-3,6,7-triol
methyl (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate
methyl (19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate
C18H28NO5 (338.19673780000005)
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
(-)-Vincadifformine
An aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata.
secodine
A methyl ester that is 1H-indole substituted by a 3-methoxy-3-oxoprop-1-en-2-yl group at position 2 and a 2-(5-ethyl-3,4-dihydropyridin-1(2H)-yl)ethyl groups at position 3. It is a transient intermediate in the synthesis of indole alkaloids such as vindoline and vincadifformine.
DG(16:3)
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SB 258719
SB 258719 is a selective 5-HT7 receptor antagonist with high affinity (pKi=7.5) for the receptor. SB 258719 can be used for the research of cancer and neurological disease[1][2][3].