Exact Mass: 334.1944
Exact Mass Matches: 334.1944
Found 500 metabolites which its exact mass value is equals to given mass value 334.1944,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihexyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10876; ORIGINAL_PRECURSOR_SCAN_NO 10875 CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10893; ORIGINAL_PRECURSOR_SCAN_NO 10892 CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10920; ORIGINAL_PRECURSOR_SCAN_NO 10918 CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10916; ORIGINAL_PRECURSOR_SCAN_NO 10915 CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10914; ORIGINAL_PRECURSOR_SCAN_NO 10912 CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10870; ORIGINAL_PRECURSOR_SCAN_NO 10868
Prostaglandin J2
Prostaglandin J2 (PGJ2) is an endogenous product of inflammation in humans. It induces neuronal death and the accumulation of ubiquitinated proteins into distinct aggregates. It may play a role in neurodegenerative disorders inducing a chain of events that culminates in neuronal cell death. An altered expression of enzymes in PGJ2 synthesis may represent a novel pathogenic mechanism in human obesity. The peroxisome proliferator-activated receptor gamma (PPARγ) has a fundamental role in glucose homeostasis and adipocyte differentiation. Besides linoleate, linolenate and arachidonate, the most notable PPAR ligand is 15-deoxy-delta12-14-prostaglandin J2, a natural derivative of prostaglandin D2 and PGJ2. It is therefore plausible that the production of 15d-PGJ2 within adipose tissue may act as an endogenous mediator of adipocyte differentiation. PGJ2 disrupts the cytoskeleton in neuronal cells. This cyclopentenone prostaglandin triggered endoplasmic reticulum (ER) collapse and the redistribution of ER proteins, such as calnexin and catechol-O-methyltransferase, into a large centrosomal aggregate containing ubiquitinated proteins and alpha-synuclein. The PGJ2-dependent cytoskeletal rearrangement paralleled the development of the large centrosomal aggregate. Supporting a mechanism by which, upon PGJ2 treatment, cytoskeleton/ER collapse coincides with the relocation of ER proteins, other potentially neighboring proteins, and ubiquitinated proteins into centrosomal aggregates. Development of these large perinuclear aggregates is associated with disruption of the microtubule/ER network. This aberrant protein deposition, triggered by a product of inflammation, may be common to other compounds that disrupt microtubules and induce protein aggregation, such as MPP+ and rotenone, found to be associated with neurodegeneration. Many neurodegenerative disorders, such as Parkinson disease, exhibit inclusion bodies containing ubiquitinated proteins. Concentrations of PGJ2 in biofluids have not been established, since this prostaglandin is further metabolized into delta12-PGJ2, and 15-deoxy-delta12,14-PGJ2. (PMID: 16737963, 16842938, 16774923)Prostaglandins 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. Prostaglandin J2 (PGJ2) is an endogenous product of inflammation in humans. It induces neuronal death and the accumulation of ubiquitinated proteins into distinct aggregates. It may play a role in neurodegenerative disorders inducing a chain of events that culminates in neuronal cell death. An altered expression of enzymes in PGJ2 synthesis may represent a novel pathogenic mechanism in human obesity. The peroxisome proliferator-activated receptor gamma (PPARγ) has a fundamental role in glucose homeostasis and adipocyte differentiation. Besides linoleate, linolenate and arachidonate, the most notable PPAR ligand is 15-deoxy-delta12-14-prostaglandin J2, a natural derivative of prostaglandin D2 and PGJ2. It is therefore plausible that the production of 15d-PGJ2 within adipose tissue may act as an endogenous mediator of adipocyte differentiation. PGJ2 disrupts the cytoskeleton in neuronal cells. This cyclopentenone prostaglandin triggered endoplasmic reticulum (ER) collapse and the redistribution of ER proteins, such as calnexin and catechol-O-methyltransferase, into a large centrosomal aggregate containing ubiquitinated proteins and alpha-synuclein. The PGJ2-dependent cytoskeletal rearrangement paralleled the development of the large centrosomal aggregate. Supporting a mechanism by which, upon PGJ2 treatment, cytoskeleton/ER collapse coincides with the relocation of ER proteins, other potentially neighboring proteins, and ubiquitinated proteins into centrosomal aggregates. Development of these large perinuclear aggregates is associated with disruption of the microtubule/ER network. This aberrant protein deposition, triggered by a product of inflammation, may be common to other compounds that disrupt microtubules and induce protein aggregation, such as MPP+ and rotenone, found to be associated with neurodegeneration. Many neurodegenerative disorders, such as Parkinson disease, exhibit inclusion bodies containing ubiquitinated proteins. Concentrations of PGJ2 in biofluids have not been established, since this prostaglandin is further metabolized into delta12-PGJ2, and 15-deoxy-delta12,14-PGJ2. (PMID: 16737963, 16842938, 16774923) D000970 - Antineoplastic Agents
Prostaglandin B2
Prostaglandin B2 (PGB2) is a prostanoid. Prostanoids is a term that collectively describes prostaglandins, prostacyclines and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 16986207). Prostaglandins 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. Prostaglandin B2 (PGB2) is a prostanoid. Prostanoids is a term that collectively describes prostaglandins, prostacyclines and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 16986207)
12-Keto-leukotriene B4
12-Keto-leukotriene B4 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. 12-Keto-leukotriene B4 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)
Prostaglandin A2
Produced by the seminal vesicles, prostaglandins are a group of lipid compounds that are derived enzymatically from fatty acids. Technically hormones, the prostanoid class of fatty acid derivatives is a subclass of 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 signaling pathways. Prostaglandin A is a cyclopentenone and is an endogenous metabolite derived from arachidonic acid. It exhibits potent cellular anti-proliferative activity in vivo and in vitro. Excess PGA2 causes an accumulation in both S and G2/M, and a marked decrease in G1. There is also an increase in DNA content preceeding the G0/G1 peak (indicative of apoptotic body formation) mediated by changes in expression levels of Bax and Bcl-2. Produced by the seminal vessicals: Prostaglandins are a group of lipid compounds that are derived enzymatically from fattyacids. Technically a hormone, the prostanoid class of fatty acid derivatives is a subclass of eicosanoids. Prostaglandin A is cyclopentenone and endogenous metabolite derived from arachidonic acid. Exhibits potent cellular anti-proliferative activity in vivo and in vitro. Excess PGA2 causes an accumulation in both S and G2/M, and a marked decrease in G1. As well there is an increase in DNA content preceeding the G0/G1 peak (indicative of apoptic body formation) mediated by changes in expression levels of Bax and Bcl-2.
Prostaglandin-c2
This compound belongs to the family of Prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
Delta-12-Prostaglandin J2
Delta-12-Prostaglandin J2 (d12-PGJ2) is the ultimate metabolite of Prostaglandin D2 (PGD2). PGD2 is an unstable molecule and undergoes dehydration to form PGJ2 in aqueous solution, and is then converted to d12-PGJ2, in the presence of serum albumin or plasma. d12-PGJ2 forms a conjugate with the thiol of glutathione (GSH) and GSH suppresses the d12-PGJ2-induced HSP synthesis and subsequent inhibition of cell growth (HSPs are a set of proteins synthesized in response to heat shock or to other environmental stresses). d12-PGJ2 has been shown to stimulate alkaline phosphatase activity and calcification of human osteoblastic cells, the potency of the PGs being comparable to that of 1-a,25-dihydroxy vitamin D. d12-PGJ2 enhances the type-1 collagen synthesis in human osteoblasts during calcification. Thus, d12-PGJ2 modulates osteogenesis through induction of the syntheses of multiple proteins related to mineralization. Considering that PGD2 is a major arachidonate metabolite in bone marrow, d12-PGJ2, may be physiologically involved in the modulation of osteogenesis. d12-PGJ2 induces heme oxygenase, HO-l. Heme oxygenase is a key enzyme in heme catabolism, oxidatively clearing heme to yield biliverdin, iron and carbon monoxide. The biological function of this enzyme is the conversion of potentially toxic heme to bile and the recovery of the iron. Furthermore, carbon monoxide produced on the enzymatic degradation of heme has been suggested to function as a neural messenger. Two isozymes of heme oxygenase, HO-l and HO-2, have been identified. HO-2 is constitutively expressed, while HO-l is drastically induced in response to a variety of stresses, including heavy metals, heat shock and UV irradiation. (PMID: 8777585)Prostaglandins 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. delta-12-Prostaglandin J2 (d12-PGJ2) is the ultimate metabolite of Prostaglandin D2 (PGD2). PGD2 is an unstable molecule and undergoes dehydration to form PGJ2 in aqueous solution, and is then converted to d12-PGJ2, in the presence of serum albumin or plasma. d12-PGJ2 forms a conjugate with the thiol of glutathione (GSH) and GSH suppresses the d12-PGJ2-induced HSP synthesis and subsequent inhibition of cell growth (HSPs are a set of proteins synthesized in response to heat shock or to other environmental stresses). d12-PGJ2 has been shown to stimulate alkaline phosphatase activity and calcification of human osteoblastic cells, the potency of the PGs being comparable to that of 1-a,25-dihydroxy vitamin D. d12-PGJ2 enhances the type-1 collagen synthesis in human osteoblasts during calcification. Thus, d12-PGJ2 modulates osteogenesis through induction of the syntheses of multiple proteins related to mineralization. Considering that PGD2 is a major arachidonate metabolite in bone marrow, d12-PGJ2, may be physiologically involved in the modulation of osteogenesis. d12-PGJ2 induces heme oxygenase, HO-l. Heme oxygenase is a key enzyme in heme catabolism, oxidatively clearing heme to yield biliverdin, iron and carbon monoxide. The biological function of this enzyme is the conversion of potentially toxic heme to bile and the recovery of the iron. Furthermore, carbon monoxide produced on the enzymatic degradation of heme has been suggested to function as a neural messenger. Two isozymes of heme oxygenase, HO-l and HO-2, have been identified. HO-2 is constitutively expressed, while HO-l is drastically induced in response to a variety of stresses, including heavy metals, heat shock and UV irradiation. (PMID: 8777585) D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid
(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid is found in fruits. (ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid is produced by Cucurbita maxima and in cell-free systems of other plants. Production by Cucurbita maxima and in cell-free systems of other plants. 6beta,7beta-Dihydroxykaurenoic acid is found in fruits and japanese pumpkin.
9-Fluoro-17-methyl-11-oxotestosterone
17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate
3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
Resolvin E2
A member of the class of resolvins that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid carrying two hydroxy substituents at positions 5 and 18 (the 5S,18R stereoisomer).
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a member of phenols and a benzoate ester. (2-{4-Methyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl 2-methylbutanoate is a natural product found in Arnica montana with data available. 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is found in fats and oils. 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a constituent of various plant species including Madia sativa (Chile tarweed)
15-Keto-13,14-dihydroprostaglandin A2
13,14-dihydro-15-keto PGA2 is produced via non-enzymatic dehydration of 13,14-dihydro-15-keto PGE2. PGE2 is the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). (PMID: 16978535, 7384561, 7384560)Prostaglandins 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. 13,14-dihydro-15-keto PGA2 is produced via non-enzymatic dehydration of 13,14-dihydro-15-keto PGE2. PGE2 is the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). (PMID: 16978535, 7384561, 7384560)
Leukotriene B5
Leukotriene B5 (LTB5) is a 5-lipoxygenase metabolite of arachidonic (AA) and eicosapentaenoic acid (EPA), involved in numerous inflammatory diseases and possesses a substantially less potent inflammatory effect than LTB4. Binding of LTB5 to human neutrophil LTB4 high affinity binding sites is lower than that of LTB4. Polymorphonuclear leukocytes isolated from volunteers who ingested eicosapentaenoic acid (EPA) form LTB5. Enrichment of human neutrophils with EPA, by dietary supplementation for at least 3 weeks, reduces their formation of LTB4 ex vivo. LTB5 is catabolized to 20-OH-LTB5, which in turn is metabolized to 20-COOH-LTB5. Presumably the same enzyme systems are involved in the catabolism of LTB5 that are responsible for catabolism of LTB4. Fish oil supplementation has a protective effect on exercise-induced bronchoconstriction (EIB) in elite athletes, which may be attributed to its antiinflammatory properties due to a significant reduction in LTB4 and a significant increase in LTB5 generation from activated polymorphonuclear leukocytes (PMNLs). (PMID: 1964169, 15866528, 2538061, 16424411). 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. Leukotriene B5 (LTB5) is a 5-lipoxygenase metabolite of arachidonic (AA) and eicosapentaenoic acid (EPA), involved in numerous inflammatory diseases and possesses a substantially less potent inflammatory effect than LTB4. Binding of LTB5 to human neutrophil LTB4 high affinity binding sites is lower than that of LTB4. Polymorphonuclear leukocytes isolated from volunteers who ingested eicosapentaenoic acid (EPA) form LTB5. Enrichment of human neutrophils with EPA, by dietary supplementation for at least 3 weeks, reduces their formation of LTB4 ex vivo. LTB5 is catabolized to 20-OH-LTB5, which in turn is metabolized to 20-COOH-LTB5. Presumably the same enzyme systems are involved in the catabolism of LTB5 that are responsible for catabolism of LTB4. Fish oil supplementation has a protective effect on exercise-induced bronchoconstriction (EIB) in elite athletes, which may be attributed to its antiinflammatory properties due to a significant reduction in LTB4 and a significant increase in LTB5 generation from activated polymorphonuclear leukocytes (PMNLs). (PMID: 1964169, 15866528, 2538061, 16424411)
Dehydropinifolic acid
Dehydropinifolic acid is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside is found in herbs and spices. 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside is found in herbs and spices.
Crispanone
Crispanone is found in herbs and spices. Crispanone is a constituent of Petroselinum crispum (parsley). Constituent of Petroselinum crispum (parsley). Crispanone is found in herbs and spices and parsley.
(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid
(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid is found in coffee and coffee products. (ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid is a constituent of roasted coffee.
8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid
8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid is a constituent of Pinus sylvestris (Scotch pine) Constituent of Pinus sylvestris (Scotch pine)
Phytocassane B
Phytoalexin from Oryza sativa (rice). Phytocassane B is found in cereals and cereal products and rice. Phytocassane B is found in cereals and cereal products. Phytoalexin from Oryza sativa (rice).
trans-p-Menthane-7,8-diol 8-glucoside
trans-p-Menthane-7,8-diol 8-glucoside is found in herbs and spices. trans-p-Menthane-7,8-diol 8-glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). trans-p-Menthane-7,8-diol 8-glucoside is found in herbs and spices.
trans-p-Menthane-7,8-diol 7-glucoside
trans-p-Menthane-7,8-diol 7-glucoside is found in herbs and spices. trans-p-Menthane-7,8-diol 7-glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). trans-p-Menthane-7,8-diol 7-glucoside is found in herbs and spices.
3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is found in fats and oils. 3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a constituent of Madia sativa (Chile tarweed) Constituent of Madia sativa (Chile tarweed). 3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is found in fats and oils.
bicyclo-PGE2
bicyclo Prostaglandin E2 (bicyclo-PGE2) is a stable breakdown product of PGE2 and 13,14-dihydro-15-keto PGE2. Bicyclo PGE2 is a stable, base-catalyzed transformation product of 13,14-dihydro-15-keto PGE2. 13,14-dihydro-15-keto PGE2 itself is a metabolite of PGE2 found in human plasma at a median level of 20-25 pg/ml. Due to the inherent instability of 13,14-dihydro-15-keto PGE2, it is advisable to quantify it as bicyclo PGE2 to estimate PGE2 biosynthesis or metabolism in vivo. (http://bioreagent.bertinpharma.com/)
5-Oxo-6-trans-leukotriene B4
5-oxo-6-trans-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. 5-oxo-6-trans-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)
7'-Carboxy-gamma-chromanol
7-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 7-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk.
3,7-Dimethyl-5-octene-1,7-diol 1-glucoside
3,7-Dimethyl-5-octene-1,7-diol 1-glucoside is found in green vegetables. 3,7-Dimethyl-5-octene-1,7-diol 1-glucoside is a constituent of Rosa damascena (damask rose) Constituent of Rosa damascena (damask rose). 3,7-Dimethyl-5-octene-1,7-diol 1-glucoside is found in herbs and spices and green vegetables.
Carnocin U I49
Carnocin U I49 is found in fishes. Carnocin U I49 is produced by Carnobacterium piscicola UI49 isolated from fish. Production by Carnobacterium piscicola UI49 isolated from fish. Carnocin U I49 is found in fishes.
15d PGD2
15d PGD2 is a Prostaglandin D2. Prostaglandin D2 is a prostaglandin that binds to the receptor PTGDR, as well as CRTH2. It is a major prostaglandin produced by mast cells – recruits Th2 cells, eosinophils, and basophils. (Wikipedia)
15-deoxy-PGD2
15-deoxy-PGD2 is classified as a member of the 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. 15-deoxy-PGD2 is considered to be practically insoluble (in water) and acidic. 15-deoxy-PGD2 is an eicosanoid lipid molecule
5-oxo-12-HETE
5-oxo-12-HETE, also known as 5-oxo-12-Hydroxy-6,8,11,13-eicosatetraenoic acid or 8-Tarns-5-oxo-12-hete, is classified as a member of the Leukotrienes. Leukotrienes are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. 5-oxo-12-HETE is considered to be practically insoluble (in water) and acidic
5,12-dihydroxy-6,8,10,14,17-eicosapentaenoic acid
5,12-dihydroxy-6,8,10,14,17-eicosapentaenoic acid, also known as LTB 5 or Leukotriene b5, is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 5,12-dihydroxy-6,8,10,14,17-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic
14-Deoxyandrographolide
(E)-7-[(5R)-5-[(E)-3-Hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14,17-pentaenoic acid
(E)-7-[(1S,5E)-5-(3-Hydroxyoctylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Agathic acid
Proglumide
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Proglumide is a nonpeptide and orally active cholecystokinin (CCK)-A/B receptors antagonist. Proglumide selective blocks CCK’s effects in the central nervous system (CNS). Proglumide has ability to inhibit gastric secretion and to protect the gastroduodenal mucosa. Proglumide also has antiepileptic and antioxidant activities[1][2][3][4][5].
Acrylfentanyl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Prostaglandin A-2
Prostaglandin a-2, also known as pga2 or medullin, 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. Prostaglandin a-2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin a-2 can be found in soft-necked garlic, which makes prostaglandin a-2 a potential biomarker for the consumption of this food product.
Prostaglandin B-2
Prostaglandin b-2 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. Prostaglandin b-2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin b-2 can be found in soft-necked garlic, which makes prostaglandin b-2 a potential biomarker for the consumption of this food product.
Deoxyandrographolide
Deoxyandrographolide is a natural product found in Andrographis paniculata with data available.
WLN91FAQ6Z
14-Deoxyandrographolide is a natural product found in Andrographis paniculata and Taiwanofungus camphoratus with data available. 14-Deoxyandrographolide is a labdane diterpene with calcium channel blocking activity. 14-Deoxyandrographolide desensitizes hepatocytes to TNF-α-mediated apoptosis through the release of TNFRSF1A release[1][2]. 14-Deoxyandrographolide is a labdane diterpene with calcium channel blocking activity. 14-Deoxyandrographolide desensitizes hepatocytes to TNF-α-mediated apoptosis through the release of TNFRSF1A release[1][2].
Arnicolide C
3-O-Angeloylcuauhtemone
[1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methylpropanoic acid
ent-16-Hydroxy-17-oxo-7,13Z-Labdadiene-15-oic acid
Gibberellin A10
A C19-gibberellin, initially identified in Gibberella fujikuroi. It differs from gibberellin A1 in the absence of the beta-OH at C-9 and the alpha-OH at C-7, the substitution of the methylene group at C-8 by a beta-Me and the presence of an alpha-OH also at C-8 (all gibbane skeletal numberings).
1-(3,3-Dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester 2-methyl-2-butenoic acid
12,20-Dihydroxy-3alpha,4alpha,15,16-bisepoxy-8beta,10betaH-ent-cleroda-13(16),14-diene
Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid
2-Methyl-4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl ester isobutyrate
Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid
[4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-8(17),13(16),14-labdatriene-12-dione
Subcordatolide C
Acrylfentanyl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
3beta-hydroxy-8alpha-isobutyryloxy-1-oxo-germacra-4E,10(14),11(13)-trien-12,6alpha-olide
4beta-Hydroxy-4,5-beta-dihydro-6-O-methacryloylsteiractinolid
3beta-(2-methylbutyryloxy)-8-oxo-eremophila-6,9-dien-12-oic acid
1alpha-hydroxy-3alpha-isobutyryloxyisoalantolactone
8alpha-Hydroxy-1alpha-(isobutyryloxy)cyclocostunolid
(3S)-8-Hydroxy-6,7-dihydrolinallol 3-O-??-D-glucopyranoside|(3S)-8-hydroxy-6,7-dihydrolinalool 3-O-beta-D-glucopyranoside
3-Methylbutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester
(-)-12,13-epoxy-8alpha-hydroxytrichothec-9-en-4beta-yloxy isocrotonate|trichothecinol B
9-(2-Methylpropanoyl)-(1beta,6beta,9beta,10beta)-1,10-Epoxyfuranoeremophilane-6,9-diol
8alpha-isobutyryloxy-9alpha-hydroxy-montahibisciolide
(-)-(1R,2R,3S,6R,10S)-2alpha,3alpha-diacetoxyamorpha-4,7(11)-dien-8-one
ethyl 2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranoside
11beta,13-Dihydro-8alpha-hydroxy-1alpha-(2-methylacryloyloxy)cyclocostunolid
6beta-hydroxy-3beta-(2-methylacryloyl)oxy-11betaH-eremophil-7-en-12,8-olide|eremofarfugin B
10-isovaleryloxy-8,9-epoxy 7-northymol isovalerate
5alpha,6beta,14alpha-trihydroxyandrost-2-ene-1,17-dione|cinedione
5alpha,11,12-trihydroxy-6-oxa-abieta-8,11,13-trien-7-one
1beta-O-Caprinoyl-D-glucopyranose|n-decanoyl beta-D-glucopyranoside
(+/-)-1-{6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[(1E)-3-methylbut-1-en-1-yl]-2,3-dihydro-1-benzofuran-5-yl}ethanone|pteleifolin A
4,5-epoxy-2alpha-isobutyryloxy-guaia-11(13)-en-8beta,12-olide|minimolide F
2-Methylpropanoic acid (4S)-4,4a,5,6,7,8,8abeta,9-octahydro-5alpha-hydroxy-3,4abeta,5-trimethyl-9-oxonaphtho[2,3-b]furan-4beta-yl ester
3-oxo-10alpha-hydroxy-8beta-isobutyryloxyguaia-4,11(13)-dien-12,6alpha-olide
(12beta)-12-hydroxyhuperzine G|2-{[(8aS,9S,11R,12aS)-3,4,6,7,8,8a,9,10,11,12-decahydro-8a-hydroxy-11-methyl-2H-9,1-ethanylylidenebenzo[i]quinolizin-14-yl]amino}-2-oxoacetic acid
8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1beta-acetoxy-8beta-ethoxy-eudesman-4(15),7(11)-dien-8alpha,12-olide
9beta-isobutyryloxy-1alpha,10beta-epoxyhaageanolide
ent-15beta-fluoro-7alpha-hydroxy-19-norkaur-16-ene-4beta,6beta-carbolactone
5alpha-hydroxy-15-isobutyryloxy germacra-1(10)E,3Z,11(13)-trien-12,8alpha-olide
7,7,10-trimethyl-4-pentyl-7H-benzofuro<6,7-c><2>benzopyran|furo<1,2-a> 4-n-pentyl-7,7,10-trimethyl-dibenzopyran|furo[1,2-a] 4-n-pentyl-7,7,10-trimethyl-dibenzopyran
9-(2-Methylpropanoyl)-(1(10)E,4E,6alpha,8alpha,9alpha)-6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide
8alpha-hydroxy-6beta-(isobutanoyloxy)-eremophila-7(11),1(10)-dieno-12,8beta-lactone
Isobutyric acid 2-methoxy-4-[1-(2-methylbutyryloxy)-2-propenyl]phenyl ester
17,19-Dihydroxy-2-oxa-13(16),14-spongiadien-3-one|2-oxa-17,19-dihydroxyspongia-13(16),14-dien-3-one
Ferulol-<2-(1-isobutyryloxyethyl)acrylat>|Ferulol-[2-(1-isobutyryloxyethyl)acrylat]
2-methyl-11-hydroxy-2,3,4,5,6,7,8-heptahydro-8-oxobenzoxonin-9-acetic acid ethyl ester|phomopsin B
4(O)-(3,3-Dimethylallyl)-syringaalkoholangelicat|4(O)-<3,3-Dimethylallyl>-syringaalkoholangelicat
proglumide
A racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Proglumide is a nonpeptide and orally active cholecystokinin (CCK)-A/B receptors antagonist. Proglumide selective blocks CCK’s effects in the central nervous system (CNS). Proglumide has ability to inhibit gastric secretion and to protect the gastroduodenal mucosa. Proglumide also has antiepileptic and antioxidant activities[1][2][3][4][5].
BOVINE PINEAL ANTIREPRODUCTIVE TRIPEPTIDE ACETATE SALT
Rubrosterone
Rubrosterone is a natural product found in Taxus wallichiana, Cyanotis arachnoidea, and other organisms with data available.
Tanshinol borneol ester
MinimolideF
(E)-methyl 11-(5-carbamoyl-4-oxo-1,4-dihydropyridin-2-yl)undec-10-enoate_120104
C19H26O5_Propanoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate_major
(2-{4-Methyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl 2-methylbutanoate
(2-{4-methyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl 3-methylbutanoate
2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside
trans-p-Menthane-7,8-diol 7-glucoside
trans-p-Menthane-7,8-diol 8-glucoside
3,7-Dimethyl-5-octene-1,7-diol 1-glucoside
bhas#16
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#16 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#16
An omega-hydroxy fatty acid ascaroside that is oscr#16 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
1-tert-Butyl 4-ethyl 4-(pyridin-4-yl)piperidine-1,4-dicarboxylate
tert-butyl 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylate
benzyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
3-Amino-3-(3-cbz)piperidine-propionic acid ethyl ester
3-AMINO-3-(2-CBZ)PIPERIDINE-PROPIONICACIDETHYLESTER
(4-METHYLSULFANYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER
(3-BOC-AMINO-PIPERIDIN-1-YL)-PYRIDIN-4-YL-ACETICACID
5-(4-(5,5-dimethyl-1,3,2-dioxaborinane)phenyl) dipyrromethane (under argon)
1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpiperazine
3-(N-Boc-aminomethyl)pyridine-5-boronic acid pinacol ester
benzyl 4-(2-tert-butoxy-2-oxo-ethyl)piperazine-1-carboxylate
4-[2-(4-METHOXY-PHENYL)-2-OXO-ETHYL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)silane
METHYL 3-ISOBUTOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
METHYL 3-BUTOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
2-[(2-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl )methyl]benzoic acid
2-[(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl )methyl]benzoic acid
3-[(2-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl )methyl]benzoic acid
3-[(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl )methyl]benzoic acid
1-benzyl 4-tert-butyl 2-Methylpiperazine-1,4-dicarboxylate
tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(m-tolyl)acetic
dipropan-2-yl 3-phenylmethoxycyclobutane-1,1-dicarboxylate
1-Benzyl-4-(Boc-amino)piperidine-4-carboxylic Acid
2-(4-BOC-PIPERAZINYL)-2-(4-METHYLPHENYL)ACETIC ACID
(2s)-[[[(phenylmethoxy)carbonyl]amino]methyl]-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
2-(S)-METHYLPIPERAZINE-1,4-DICARBOXYLIC ACID 4-BENZYL ESTER 1-TER-BUTYL ESTER
(R)-TERT-BUTYL 3-(((BENZYLOXY)CARBONYL)AMINO)PIPERIDINE-1-CARBOXYLATE
4-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-BUTYRIC ACID ETHYL ESTER
7-METHOXY-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
TERT-BUTYL 7-(3-ETHOXY-3-OXOPROPYL)-3,4-DIHYDRO-1,8-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
TERT-BUTYL 4-[4-(METHOXYCARBONYL)BENZYL]PIPERAZINE-1-CARBOXYLATE
3-(O-TETRAHYDROFURFURYL)CARBAMOYLPROPYLTRIETHOXYSILANE
6-(tert-Butyloxycarbonyl-methylamino)pyridine-3-boronic acid pinacol ester
TERT-BUTYL 4-((5R,7S)-7-HYDROXY-5-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
(3R,9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydecanoic acid
(3R)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydecanoic acid
Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(diethylamino)ethyl ester
9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone
(3As,3br,4s,5as,6s,8as,8bs)-6-acetyl-3b-fluoro-4-hydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one
N-(Para-glutaramidophenyl-ethyl)-piperidinium-N-oxide
2-[N-(4-Amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester
[3-Carboxy-2-(7-carboxy-4-hydroxyheptanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(7-carboxy-3-hydroxyheptanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-[6-(2-hydroxyethoxy)-6-oxohexanoyl]oxypropyl]-trimethylazanium
Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-
N-tetradecanoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-tetradecanoyltaurine; major species at pH 7.3.
Benzoic acid, 4-amino-, 4-acetoxy-2,2,6,6-tetramethyl-1-piperidinyl ester
3-(4-Butyl-3,5-dimethyl-1-pyrazolyl)-5-methyl-[1,2,4]triazino[5,6-b]indole
N-[(tert-butylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazine
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
(1S,5R)-3-[(3-methoxyphenyl)methyl]-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(9R)-9-fluoro-6,11-dihydroxy-10,17,17-trimethyl-2,6,7,8,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
(9S,10R,13R,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
(9S,10R,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
2,3,3,4,4,6,6,7,7,8-Decamethyl-5-oxa-3,4,6,7-tetrasilanonane
[3-(3-Acetyloxy-2-propanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione
3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoic acid
1-[(2r)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
5,8-dihydroxy-3,6,9-trimethylidene-4-(2-methylpropoxy)-octahydroazuleno[4,5-b]furan-2-one
(3as,4s,5s,11ar)-5-hydroxy-10-methyl-3-methylidene-4-(2-methylpropoxy)-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carbaldehyde
(2s,4s,4as,5z,7s)-7-(acetyloxy)-4,4a,6-trimethyl-8-oxo-2,3,4,7,9,10-hexahydrobenzo[8]annulen-2-yl acetate
(1s,2s,7r,10r,11r,12r)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.0²,⁶.0⁷,¹¹]tetradec-5-en-12-yl 2-methylpropanoate
(1s,2s,5s,6r,7s,10r,12r,14s)-5,14-dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl 2-methylpropanoate
(3s)-14-hydroxy-16-methoxy-3-methyl-4,5,6,7,8,9,10,12-octahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(4s,4ar,5s,8s,8ar)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
{4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-10-yl}methyl 2-methylpropanoate
(3as,4r,5r,6ar,8s,9ar,9br)-5,8-dihydroxy-3,6,9-trimethylidene-4-(2-methylpropoxy)-octahydroazuleno[4,5-b]furan-2-one
2-[(1r,4ar,5r,6s,7r,8ar)-6,7-dihydroxy-5-(hydroxymethyl)-8a-methyl-2-methylidene-octahydronaphthalen-1-yl]-1-(furan-3-yl)ethanone
(1r)-1-{3-methoxy-4-[(2-methylpropanoyl)oxy]phenyl}prop-2-en-1-yl 3-methylbutanoate
(3as,4r,9r,11ar)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(1s,3s,4s,6s,9e,11r)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-3-yl 2-methylpropanoate
3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-methylpropanoate
{4-[(2r)-2-methyloxiran-2-yl]-3-[(2-methylpropanoyl)oxy]phenyl}methyl 3-methylbutanoate
(3as,4ar,7as,9ar)-3,4a,8-trimethyl-2,5-dioxo-3h,3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-methylpropanoate
4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 2-methylpropanoate
2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylpentanamido}-3-phenylpropanoic acid
4-hydroxy-3,4a,5-trimethyl-2-oxo-3h,4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl 2-methylprop-2-enoate
10-(1-hydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid
(3ar,4s,5ar,6r,9as,9br)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl 2-methylpropanoate
(4s,9s,11as)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(4r,5r,6s,7r)-6-(acetyloxy)-4,8-dimethyl-2-oxo-1-(propan-2-ylidene)spiro[4.5]dec-8-en-7-yl acetate
(3as,4r,11s,11ar)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-11-yl 2-methylpropanoate
8-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 2-methylpropanoate
5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-7-yl 2-methylpropanoate
(3r,5s,6s)-3-hydroxy-6,8-dimethyl-6-(3-methylbut-2-en-1-yl)-9-(2-oxopropyl)-1-oxaspiro[4.5]dec-8-ene-2,7-dione
8-hydroxy-9-methyl-2-[(2-methylbut-2-en-1-yl)oxy]-14-methylidene-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-13-one
(1's,2s,2'r,7'r,9'r,10'r,11's)-10'-hydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl but-2-enoate
(3as,4r,4as,7r,7ar,8s,9as)-7-hydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl (2e)-but-2-enoate
3a,7,8-trihydroxy-9a,11a-dimethyl-2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,5-dione
[(3as,6s,6as,9ar,9br)-9a-methyl-3-methylidene-2,9-dioxo-octahydroazuleno[4,5-b]furan-6-yl]methyl 2-methylpropanoate
(4ar,5r,6r,8s,8as)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 2-methylpropanoate
(1s,2s,5r,7s,8r,9r,10r,13r,17s)-7-fluoro-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one
(3ar,5ar,7r,8s,9ar,9bs,11as)-3a,7,8-trihydroxy-9a,11a-dimethyl-2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,5-dione
[(1s,5z,9r,10s)-6-[(acetyloxy)methyl]-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
10'-hydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl but-2-enoate
(3ar,4r,6r,6ar,9ar,9br)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(3s)-8-hydroxy-6,7-dihydrolinallol 3-o-β-d-glu-copyranoside
{"Ingredient_id": "HBIN009703","Ingredient_name": "(3s)-8-hydroxy-6,7-dihydrolinallol 3-o-\u03b2-d-glu-copyranoside","Alias": "NA","Ingredient_formula": "C16H30O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-6,7-dihydrolinalool8-o-glucopyranoside
{"Ingredient_id": "HBIN013767","Ingredient_name": "8-hydroxy-6,7-dihydrolinalool8-o-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10005","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acronyculatinb
{"Ingredient_id": "HBIN014615","Ingredient_name": "acronyculatinb","Alias": "NA","Ingredient_formula": "C19H26O5","Ingredient_Smile": "CC(=CCC1=C2C(=C(C(=C1OC)C(=O)C)O)CC(O2)C(C)(C)O)C","Ingredient_weight": "334.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "572","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11067612","DrugBank_id": "NA"}
Barbatin C
{"Ingredient_id": "HBIN017591","Ingredient_name": "Barbatin C","Alias": "NA","Ingredient_formula": "C19H26O5","Ingredient_Smile": "CC1=CCCC2C1(C(C(C(C2C=CC3=CC(=O)OC3)(C)O)O)O)C","Ingredient_weight": "334.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34134","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101401700","DrugBank_id": "NA"}
