Exact Mass: 429.3031484
Exact Mass Matches: 429.3031484
Found 500 metabolites which its exact mass value is equals to given mass value 429.3031484,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mifepristone
A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary cushing syndrome. [PubChem] G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XB - Progesterone receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist D012102 - Reproductive Control Agents > D008600 - Menstruation-Inducing Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
Yubeinine
Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Yubeinine is an alkaloid with tracheal relaxant effects[1].
Miproxifene
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
N-Oleoyl phenylalanine
N-oleoyl phenylalanine, also known as oleoyl-L-phe-OH belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Oleic acid amide of Phenylalanine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Oleoyl phenylalanine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Oleoyl phenylalanine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Hexadecanedioic acid mono-L-carnitine ester
C23H43NO6 (429.30902180000004)
Hexadecanedioic acid mono-L-carnitine ester is an intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570). An intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570) [HMDB]
3-Hydroxyheptadecanoylcarnitine
3-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyheptadecanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 3-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
10-Hydroxyheptadecanoylcarnitine
10-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 10-hydroxyheptadecanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 10-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 10-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
11-Hydroxyheptadecanoylcarnitine
11-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 11-hydroxyheptadecanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 11-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 11-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
12-Hydroxyheptadecanoylcarnitine
12-Hydroxyheptadecanoylcarnitine is an acylcarnitine. More specifically, it is an 12-hydroxyheptadecanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 12-Hydroxyheptadecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 12-Hydroxyheptadecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
N-Docosahexaenoyl Threonine
C26H39NO4 (429.28789340000003)
N-docosahexaenoyl threonine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Docosahexaenoyl amide of Threonine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Docosahexaenoyl Threonine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Docosahexaenoyl Threonine is therefore classified as a very long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
2-[[3-[[2-(Dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
Peiminine
(8S,11R,13R,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
peiminine
Imperialine is an alkaloid. Peiminine is a natural product found in Fritillaria anhuiensis, Fritillaria cirrhosa, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity.
Imperialin
Sipeimine is an alkaloid. Imperialine is a natural product found in Fritillaria cirrhosa, Fritillaria thunbergii, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
(22R, 25R)-spirosol-5-ene-3beta,12beta-diol|12beta-Hydroxysolasodin|solanaviol
(22R,25S)-13alpha,21-epoxy-5,6,12,13-tetrahydro-3beta-hydroxy-5alpha-veratraman-6-one|suchengbeisine
1-linoleyl MPAP|2-hydroxy-3-(N-phenylamino)propyl linoleate
Mifepristone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XB - Progesterone receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist D012102 - Reproductive Control Agents > D008600 - Menstruation-Inducing Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8513; ORIGINAL_PRECURSOR_SCAN_NO 8509 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8510; ORIGINAL_PRECURSOR_SCAN_NO 8508 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8508; ORIGINAL_PRECURSOR_SCAN_NO 8506 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8530; ORIGINAL_PRECURSOR_SCAN_NO 8528 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8550; ORIGINAL_PRECURSOR_SCAN_NO 8547 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8539; ORIGINAL_PRECURSOR_SCAN_NO 8537
N-Oleoyl-Phenylalanine
CONFIDENCE standard compound; INTERNAL_ID 299 INTERNAL_ID 299; CONFIDENCE standard compound
sipeimine
Origin: Plant; SubCategory_DNP: Steroidal alkaloids, Veratrum alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity. Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
Ala Ala Ile Arg
C18H35N7O5 (429.26995400000004)
Ala Ala Leu Arg
C18H35N7O5 (429.26995400000004)
Ala Ala Arg Ile
C18H35N7O5 (429.26995400000004)
Ala Ala Arg Leu
C18H35N7O5 (429.26995400000004)
Ala Ile Ala Arg
C18H35N7O5 (429.26995400000004)
Ala Ile Ile Asn
C19H35N5O6 (429.25872100000004)
Ala Ile Lys Val
Ala Ile Leu Asn
C19H35N5O6 (429.25872100000004)
Ala Ile Asn Ile
C19H35N5O6 (429.25872100000004)
Ala Ile Asn Leu
C19H35N5O6 (429.25872100000004)
Ala Ile Gln Val
C19H35N5O6 (429.25872100000004)
Ala Ile Arg Ala
C18H35N7O5 (429.26995400000004)
Ala Ile Val Lys
Ala Ile Val Gln
C19H35N5O6 (429.25872100000004)
Ala Lys Ile Val
Ala Lys Leu Val
Ala Lys Val Ile
Ala Lys Val Leu
Ala Leu Ala Arg
C18H35N7O5 (429.26995400000004)
Ala Leu Ile Asn
C19H35N5O6 (429.25872100000004)
Ala Leu Lys Val
Ala Leu Leu Asn
C19H35N5O6 (429.25872100000004)
Ala Leu Asn Ile
C19H35N5O6 (429.25872100000004)
Ala Leu Asn Leu
C19H35N5O6 (429.25872100000004)
Ala Leu Gln Val
C19H35N5O6 (429.25872100000004)
Ala Leu Arg Ala
C18H35N7O5 (429.26995400000004)
Ala Leu Val Lys
Ala Leu Val Gln
C19H35N5O6 (429.25872100000004)
Ala Asn Ile Ile
C19H35N5O6 (429.25872100000004)
Ala Asn Ile Leu
C19H35N5O6 (429.25872100000004)
Ala Asn Leu Ile
C19H35N5O6 (429.25872100000004)
Ala Asn Leu Leu
C19H35N5O6 (429.25872100000004)
Ala Gln Ile Val
C19H35N5O6 (429.25872100000004)
Ala Gln Leu Val
C19H35N5O6 (429.25872100000004)
Ala Gln Val Ile
C19H35N5O6 (429.25872100000004)
Ala Gln Val Leu
C19H35N5O6 (429.25872100000004)
Ala Arg Ala Ile
C18H35N7O5 (429.26995400000004)
Ala Arg Ala Leu
C18H35N7O5 (429.26995400000004)
Ala Arg Ile Ala
C18H35N7O5 (429.26995400000004)
Ala Arg Leu Ala
C18H35N7O5 (429.26995400000004)
Ala Val Ile Lys
Ala Val Ile Gln
C19H35N5O6 (429.25872100000004)
Ala Val Lys Ile
Ala Val Lys Leu
Ala Val Leu Lys
Ala Val Leu Gln
C19H35N5O6 (429.25872100000004)
Ala Val Gln Ile
C19H35N5O6 (429.25872100000004)
Ala Val Gln Leu
C19H35N5O6 (429.25872100000004)
Gly Ile Ile Lys
Gly Ile Ile Gln
C19H35N5O6 (429.25872100000004)
Gly Ile Lys Ile
Gly Ile Lys Leu
Gly Ile Leu Lys
Gly Ile Leu Gln
C19H35N5O6 (429.25872100000004)
Gly Ile Gln Ile
C19H35N5O6 (429.25872100000004)
Gly Ile Gln Leu
C19H35N5O6 (429.25872100000004)
Gly Lys Ile Ile
Gly Lys Ile Leu
Gly Lys Leu Ile
Gly Lys Leu Leu
Gly Leu Ile Lys
Gly Leu Ile Gln
C19H35N5O6 (429.25872100000004)
Gly Leu Lys Ile
Gly Leu Lys Leu
Gly Leu Leu Lys
Gly Leu Leu Gln
C19H35N5O6 (429.25872100000004)
Gly Leu Gln Ile
C19H35N5O6 (429.25872100000004)
Gly Leu Gln Leu
C19H35N5O6 (429.25872100000004)
Gly Gln Ile Ile
C19H35N5O6 (429.25872100000004)
Gly Gln Ile Leu
C19H35N5O6 (429.25872100000004)
Gly Gln Leu Ile
C19H35N5O6 (429.25872100000004)
Gly Gln Leu Leu
C19H35N5O6 (429.25872100000004)
Gly Arg Val Val
C18H35N7O5 (429.26995400000004)
Gly Val Arg Val
C18H35N7O5 (429.26995400000004)
Gly Val Val Arg
C18H35N7O5 (429.26995400000004)
Ile Ala Ala Arg
C18H35N7O5 (429.26995400000004)
Ile Ala Ile Asn
C19H35N5O6 (429.25872100000004)
Ile Ala Lys Val
Ile Ala Leu Asn
C19H35N5O6 (429.25872100000004)
Ile Ala Asn Ile
C19H35N5O6 (429.25872100000004)
Ile Ala Asn Leu
C19H35N5O6 (429.25872100000004)
Ile Ala Gln Val
C19H35N5O6 (429.25872100000004)
Ile Ala Arg Ala
C18H35N7O5 (429.26995400000004)
Ile Ala Val Lys
Ile Ala Val Gln
C19H35N5O6 (429.25872100000004)
Ile Gly Ile Lys
Ile Gly Ile Gln
C19H35N5O6 (429.25872100000004)
Ile Gly Lys Ile
Ile Gly Lys Leu
Ile Gly Leu Lys
Ile Gly Leu Gln
C19H35N5O6 (429.25872100000004)
Ile Gly Gln Ile
C19H35N5O6 (429.25872100000004)
Ile Gly Gln Leu
C19H35N5O6 (429.25872100000004)
Ile Ile Ala Asn
C19H35N5O6 (429.25872100000004)
Ile Ile Gly Lys
Ile Ile Gly Gln
C19H35N5O6 (429.25872100000004)
Ile Ile Lys Gly
Ile Ile Asn Ala
C19H35N5O6 (429.25872100000004)
Ile Ile Gln Gly
C19H35N5O6 (429.25872100000004)
Ile Lys Ala Val
Ile Lys Gly Ile
Ile Lys Gly Leu
Ile Lys Ile Gly
Ile Lys Leu Gly
Ile Lys Val Ala
Ile Leu Ala Asn
C19H35N5O6 (429.25872100000004)
Ile Leu Gly Lys
Ile Leu Gly Gln
C19H35N5O6 (429.25872100000004)
Ile Leu Lys Gly
Ile Leu Asn Ala
C19H35N5O6 (429.25872100000004)
Ile Leu Gln Gly
C19H35N5O6 (429.25872100000004)
Ile Asn Ala Ile
C19H35N5O6 (429.25872100000004)
Ile Asn Ala Leu
C19H35N5O6 (429.25872100000004)
Ile Asn Ile Ala
C19H35N5O6 (429.25872100000004)
Ile Asn Leu Ala
C19H35N5O6 (429.25872100000004)
Ile Gln Ala Val
C19H35N5O6 (429.25872100000004)
Ile Gln Gly Ile
C19H35N5O6 (429.25872100000004)
Ile Gln Gly Leu
C19H35N5O6 (429.25872100000004)
Ile Gln Ile Gly
C19H35N5O6 (429.25872100000004)
Ile Gln Leu Gly
C19H35N5O6 (429.25872100000004)
Ile Gln Val Ala
C19H35N5O6 (429.25872100000004)
Ile Arg Ala Ala
C18H35N7O5 (429.26995400000004)
Ile Val Ala Lys
Ile Val Ala Gln
C19H35N5O6 (429.25872100000004)
Ile Val Lys Ala
Ile Val Gln Ala
C19H35N5O6 (429.25872100000004)
Lys Ala Ile Val
Lys Ala Leu Val
Lys Ala Val Ile
Lys Ala Val Leu
Lys Gly Ile Ile
Lys Gly Ile Leu
Lys Gly Leu Ile
Lys Gly Leu Leu
Lys Ile Ala Val
Lys Ile Gly Ile
Lys Ile Gly Leu
Lys Ile Ile Gly
Lys Ile Leu Gly
Lys Ile Val Ala
Lys Leu Ala Val
Lys Leu Gly Ile
Lys Leu Gly Leu
Lys Leu Ile Gly
Lys Leu Leu Gly
Lys Leu Val Ala
Lys Pro Ser Val
C19H35N5O6 (429.25872100000004)
Lys Pro Val Ser
C19H35N5O6 (429.25872100000004)
Lys Ser Pro Val
C19H35N5O6 (429.25872100000004)
Lys Ser Val Pro
C19H35N5O6 (429.25872100000004)
Lys Val Ala Ile
Lys Val Ala Leu
Lys Val Ile Ala
Lys Val Leu Ala
Lys Val Pro Ser
C19H35N5O6 (429.25872100000004)
Lys Val Ser Pro
C19H35N5O6 (429.25872100000004)
Leu Ala Ala Arg
C18H35N7O5 (429.26995400000004)
Leu Ala Ile Asn
C19H35N5O6 (429.25872100000004)
Leu Ala Lys Val
Leu Ala Leu Asn
C19H35N5O6 (429.25872100000004)
Leu Ala Asn Ile
C19H35N5O6 (429.25872100000004)
Leu Ala Asn Leu
C19H35N5O6 (429.25872100000004)
Leu Ala Gln Val
C19H35N5O6 (429.25872100000004)
Leu Ala Arg Ala
C18H35N7O5 (429.26995400000004)
Leu Ala Val Lys
Leu Ala Val Gln
C19H35N5O6 (429.25872100000004)
Leu Gly Ile Lys
Leu Gly Ile Gln
C19H35N5O6 (429.25872100000004)
Leu Gly Lys Ile
Leu Gly Lys Leu
Leu Gly Leu Lys
Leu Gly Leu Gln
C19H35N5O6 (429.25872100000004)
Leu Gly Gln Ile
C19H35N5O6 (429.25872100000004)
Leu Gly Gln Leu
C19H35N5O6 (429.25872100000004)
Leu Ile Ala Asn
C19H35N5O6 (429.25872100000004)
Leu Ile Gly Lys
Leu Ile Gly Gln
C19H35N5O6 (429.25872100000004)
Leu Ile Lys Gly
Leu Ile Asn Ala
C19H35N5O6 (429.25872100000004)
Leu Ile Gln Gly
C19H35N5O6 (429.25872100000004)
Leu Lys Ala Val
Leu Lys Gly Ile
Leu Lys Gly Leu
Leu Lys Ile Gly
Leu Lys Leu Gly
Leu Lys Val Ala
Leu Leu Ala Asn
C19H35N5O6 (429.25872100000004)
Leu Leu Gly Lys
Leu Leu Gly Gln
C19H35N5O6 (429.25872100000004)
Leu Leu Lys Gly
Leu Leu Asn Ala
C19H35N5O6 (429.25872100000004)
Leu Leu Gln Gly
C19H35N5O6 (429.25872100000004)
Leu Asn Ala Ile
C19H35N5O6 (429.25872100000004)
Leu Asn Ala Leu
C19H35N5O6 (429.25872100000004)
Leu Asn Ile Ala
C19H35N5O6 (429.25872100000004)
Leu Asn Leu Ala
C19H35N5O6 (429.25872100000004)
Leu Gln Ala Val
C19H35N5O6 (429.25872100000004)
Leu Gln Gly Ile
C19H35N5O6 (429.25872100000004)
Leu Gln Gly Leu
C19H35N5O6 (429.25872100000004)
Leu Gln Ile Gly
C19H35N5O6 (429.25872100000004)
Leu Gln Leu Gly
C19H35N5O6 (429.25872100000004)
Leu Gln Val Ala
C19H35N5O6 (429.25872100000004)
Leu Arg Ala Ala
C18H35N7O5 (429.26995400000004)
Leu Val Ala Lys
Leu Val Ala Gln
C19H35N5O6 (429.25872100000004)
Leu Val Lys Ala
Leu Val Gln Ala
C19H35N5O6 (429.25872100000004)
Asn Ala Ile Ile
C19H35N5O6 (429.25872100000004)
Asn Ala Ile Leu
C19H35N5O6 (429.25872100000004)
Asn Ala Leu Ile
C19H35N5O6 (429.25872100000004)
Asn Ala Leu Leu
C19H35N5O6 (429.25872100000004)
Asn Ile Ala Ile
C19H35N5O6 (429.25872100000004)
Asn Ile Ala Leu
C19H35N5O6 (429.25872100000004)
Asn Ile Ile Ala
C19H35N5O6 (429.25872100000004)
Asn Ile Leu Ala
C19H35N5O6 (429.25872100000004)
Asn Leu Ala Ile
C19H35N5O6 (429.25872100000004)
Asn Leu Ala Leu
C19H35N5O6 (429.25872100000004)
Asn Leu Ile Ala
C19H35N5O6 (429.25872100000004)
Asn Leu Leu Ala
C19H35N5O6 (429.25872100000004)
Asn Val Val Val
C19H35N5O6 (429.25872100000004)
Pro Lys Ser Val
C19H35N5O6 (429.25872100000004)
Pro Lys Val Ser
C19H35N5O6 (429.25872100000004)
Pro Ser Lys Val
C19H35N5O6 (429.25872100000004)
Pro Ser Val Lys
C19H35N5O6 (429.25872100000004)
Pro Val Lys Ser
C19H35N5O6 (429.25872100000004)
Pro Val Ser Lys
C19H35N5O6 (429.25872100000004)
Gln Ala Ile Val
C19H35N5O6 (429.25872100000004)
Gln Ala Leu Val
C19H35N5O6 (429.25872100000004)
Gln Ala Val Ile
C19H35N5O6 (429.25872100000004)
Gln Ala Val Leu
C19H35N5O6 (429.25872100000004)
Gln Gly Ile Ile
C19H35N5O6 (429.25872100000004)
Gln Gly Ile Leu
C19H35N5O6 (429.25872100000004)
Gln Gly Leu Ile
C19H35N5O6 (429.25872100000004)
Gln Gly Leu Leu
C19H35N5O6 (429.25872100000004)
Gln Ile Ala Val
C19H35N5O6 (429.25872100000004)
Gln Ile Gly Ile
C19H35N5O6 (429.25872100000004)
Gln Ile Gly Leu
C19H35N5O6 (429.25872100000004)
Gln Ile Ile Gly
C19H35N5O6 (429.25872100000004)
Gln Ile Leu Gly
C19H35N5O6 (429.25872100000004)
Gln Ile Val Ala
C19H35N5O6 (429.25872100000004)
Gln Leu Ala Val
C19H35N5O6 (429.25872100000004)
Gln Leu Gly Ile
C19H35N5O6 (429.25872100000004)
Gln Leu Gly Leu
C19H35N5O6 (429.25872100000004)
Gln Leu Ile Gly
C19H35N5O6 (429.25872100000004)
Gln Leu Leu Gly
C19H35N5O6 (429.25872100000004)
Gln Leu Val Ala
C19H35N5O6 (429.25872100000004)
Gln Val Ala Ile
C19H35N5O6 (429.25872100000004)
Gln Val Ala Leu
C19H35N5O6 (429.25872100000004)
Gln Val Ile Ala
C19H35N5O6 (429.25872100000004)
Gln Val Leu Ala
C19H35N5O6 (429.25872100000004)
Arg Ala Ala Ile
C18H35N7O5 (429.26995400000004)
Arg Ala Ala Leu
C18H35N7O5 (429.26995400000004)
Arg Ala Ile Ala
C18H35N7O5 (429.26995400000004)
Arg Ala Leu Ala
C18H35N7O5 (429.26995400000004)
Arg Gly Val Val
C18H35N7O5 (429.26995400000004)
Arg Ile Ala Ala
C18H35N7O5 (429.26995400000004)
Arg Leu Ala Ala
C18H35N7O5 (429.26995400000004)
Arg Val Gly Val
C18H35N7O5 (429.26995400000004)
Arg Val Val Gly
C18H35N7O5 (429.26995400000004)
Ser Lys Pro Val
C19H35N5O6 (429.25872100000004)
Ser Lys Val Pro
C19H35N5O6 (429.25872100000004)
Ser Pro Lys Val
C19H35N5O6 (429.25872100000004)
Ser Pro Val Lys
C19H35N5O6 (429.25872100000004)
Ser Val Lys Pro
C19H35N5O6 (429.25872100000004)
Ser Val Pro Lys
C19H35N5O6 (429.25872100000004)
Val Ala Ile Lys
Val Ala Ile Gln
C19H35N5O6 (429.25872100000004)
Val Ala Lys Ile
Val Ala Lys Leu
Val Ala Leu Lys
Val Ala Leu Gln
C19H35N5O6 (429.25872100000004)
Val Ala Gln Ile
C19H35N5O6 (429.25872100000004)
Val Ala Gln Leu
C19H35N5O6 (429.25872100000004)
Val Gly Arg Val
C18H35N7O5 (429.26995400000004)
Val Gly Val Arg
C18H35N7O5 (429.26995400000004)
Val Ile Ala Lys
Val Ile Ala Gln
C19H35N5O6 (429.25872100000004)
Val Ile Lys Ala
Val Ile Gln Ala
C19H35N5O6 (429.25872100000004)
Val Lys Ala Ile
Val Lys Ala Leu
Val Lys Ile Ala
Val Lys Leu Ala
Val Leu Ala Lys
Val Leu Lys Ala
Val Arg Gly Val
C18H35N7O5 (429.26995400000004)
Val Arg Val Gly
C18H35N7O5 (429.26995400000004)
Val Val Gly Arg
C18H35N7O5 (429.26995400000004)
Val Val Arg Gly
C18H35N7O5 (429.26995400000004)
AL 8810 ethyl amide
Hexadecanedioate
C23H43NO6 (429.30902180000004)
GANT 61
tridecyl hydrogen sulphate, compound with 2,2,2-nitrilotris[ethanol] (1:1)
C19H43NO7S (429.27600880000006)
hexadecyl(trimethyl)azanium,hexafluorophosphate
C19H42F6NP (429.2958894000001)
4-Cyano-4-biphenylyl trans-4-(4-propylcyclohexyl)-1-cyclohexanecarboxylate
adaprolol
C26H39NO4 (429.28789340000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
(8S,11R,13R,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
3beta-Hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoate
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate
Hippolide B
C26H39NO4 (429.28789340000003)
A natural product found in Hippospongia lachne.
ethyl 4-{[N-(cyclohexylcarbonyl)phenylalanyl]amino}piperidine-1-carboxylate
C24H35N3O4 (429.26274300000006)
(25R)-3beta-hydroxycholest-5-en-7-one-26-oate
C27H41O4- (429.30046860000004)
A steroid acid anion that is the conjugate base of (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
C23H35N5O3 (429.27397600000006)
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
C23H35N5O3 (429.27397600000006)
3alpha-Hydroxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate
3beta-Hydroxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate
(8S,11R,13S,14R,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadecanoate
7alpha-Hydroxy-3-oxocholest-4-en-26-oate
C27H41O4- (429.30046860000004)
17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(16R)-16-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(17R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctadecanoate
3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1,3-dihydroxynon-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide
(10S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
4-(Benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
4,4-diapolycopen-4-oate
A monocarboxylic acid anion that is the conjugate base of 4,4-diapolycopen-4-oic acid; obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-(15-carboxypentadecanoyl)carnitine
C23H43NO6 (429.30902180000004)
An O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent.
11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
O-hexadecanedioyl-L-carnitine
C23H43NO6 (429.30902180000004)
An O-acyl-L-carnitine in which the acyl group is specified as hexadecanedioyl.
andrastin E(1-)
An enolate anion resulting from the deprotonation of the enol group of andrastin E. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
oscr#32(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#32, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7alpha-Hydroxy-3-oxo-4-cholestenoate
A steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3
andrastin F(1-)
An enolate anion resulting from the deprotonation of the enol group of andrastin F. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
NA-Thr 22:6(4Z,7Z,10Z,13Z,16Z,19Z)
C26H39NO4 (429.28789340000003)
3-hydroxy-9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,6h,6ah,6bh,7h,8h,9h,11h,11ah-cyclohexa[a]fluoren-5-one
(1r,2s,6s,9r,10r,11s,14s,15s,18r,20s,23r,24r)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
3-{[2-(2,3-dimethyloxiran-2-yl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
C26H39NO4 (429.28789340000003)
(1s,2r,3ar,3br,7s,9ar,9bs,11s,11ar)-9a,11a-dimethyl-1-[(1s)-1-[(5s)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
1-[(8z,11z,14z)-heptadeca-8,11,14-trien-1-yl]-2-methyl-9h-carbazol-3-ol
(2r,6r,10r,18r,20s,23s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-15(24)-ene-8,20,25-triol
n-(3-{1,14-dimethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-en-17-yl}propyl)ethanimidic acid
C26H39NO4 (429.28789340000003)
2,3-dimethoxy-6-[(2e,5e,7e,9s,10s,11e)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol
C26H39NO4 (429.28789340000003)
(1s,2s,3's,4s,5'r,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-3',16-diol
(2r,3s,4r,5r,6s)-2-{[(8s,9s,10s,10ar)-10-hydroxy-3,7,7,8,10-pentamethyl-2,4,5,8,9,10a-hexahydro-1h-3-benzazocin-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15alpah-hydroxysolasodine
{"Ingredient_id": "HBIN001605","Ingredient_name": "15alpah-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31271","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15α-hydroxysolasodine
{"Ingredient_id": "HBIN001618","Ingredient_name": "15\u03b1-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15alpha-hydroxytomatidenol
{"Ingredient_id": "HBIN001619","Ingredient_name": "15alpha-hydroxytomatidenol","Alias": "15\u03b1-hydroxytomatidenol","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "429.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31279;10770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102093833","DrugBank_id": "NA"}
5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
{"Ingredient_id": "HBIN011372","Ingredient_name": "5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-17-ene-10,12,20-triol
8,20-dihydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(10s,23r)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
1-(heptadeca-8,11,14-trien-1-yl)-2-methyl-9h-carbazol-3-ol
(1r,2s,10r,11s,12s,14s,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-7-ene-12,17,20-triol
5'-(hydroxymethyl)-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-16-ol
12,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
2,3-dimethoxy-6-(10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl)-5-methylpyridin-4-ol
C26H39NO4 (429.28789340000003)
6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-7-ene-12,17,20-triol
(3z,5r)-3-{[(1s,2r,4ar,8s,8ar)-2-[(2s,3s)-2,3-dimethyloxiran-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
C26H39NO4 (429.28789340000003)
(3z)-3-{[2-(2,3-dimethyloxiran-2-yl)-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
C26H39NO4 (429.28789340000003)
2-[(2e,5e,7e,9s,10r,11e)-10-hydroxy-3,5,7,9,11-pentamethyltrideca-2,5,7,11-tetraen-1-yl]-5,6-dimethoxy-3-methylpyridin-4-ol
C26H39NO4 (429.28789340000003)
(1r,2s,6s,9s,10r,11s,12s,14s,15s,18s,20s,23r,24s)-12,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(1r,2s,6r,8r,9r,10r,11s,14r,17r,18s,20s,23s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-15(24)-ene-8,17,20-triol
2-(10-hydroxy-3,5,7,9,11-pentamethyltrideca-2,5,7,11-tetraen-1-yl)-5,6-dimethoxy-3-methylpyridin-4-ol
C26H39NO4 (429.28789340000003)
(2r,3s,4r,5r,6s)-2-{[(6e,8s,9s,10s,10ar)-10-hydroxy-3,7,7,8,10-pentamethyl-2,4,5,8,9,10a-hexahydro-1h-3-benzazocin-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-1',16-diol
(1r,2r,6s,8r,9r,11s,14s,15s,18s,20s,23r,24r)-8,20-dihydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5'-(hydroxymethyl)-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-16-ol
3-{[2-(2,3-dimethyloxiran-2-yl)-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
C26H39NO4 (429.28789340000003)
(1r,2s,6s,9s,10s,11r,12s,14s,15s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-17-ene-10,12,20-triol
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-3',16-diol
14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-ene-7,13-diol
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-10,16-diol
5a,7-dihydroxy-9a,11a-dimethyl-1-[1-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
6-hydroxy-1-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-1',16-diol
(1s,2r,6r,9s,10r,11s,14r,15r,18s,20r,23r,24s)-14,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(1s,2r,7s,10r,11s,13r,14s,15r,16s,17r,20s,23s)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-ene-7,13-diol
6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-15(24)-ene-8,17,20-triol
(2s,6s,10s,15s,20s,23r)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(1r,3as,3bs,9ar,9bs,11as)-6-hydroxy-1-[(1s)-1-[(2r,3s,5r)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,2s,6s,9s,10r,11s,12s,14s,15s,17r,18s,20s,23r,24s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-7-ene-12,17,20-triol
14,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-10,16-diol
(1r,2s,6s,9s,11s,14s,15s,18s,20s,23r,24s)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
1-{1-[5-(hydroxymethyl)piperidin-2-yl]ethyl}-1,9a-dimethyl-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h-cyclopenta[a]phenanthrene-2,7-diol
(1r,3as,3bs,5as,7s,9ar,9bs,11as)-5a,7-dihydroxy-9a,11a-dimethyl-1-[(1s)-1-[(5s)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
(1s,2s,3as,3br,7s,9ar,9bs)-1-[(1s)-1-[(2s,5s)-5-(hydroxymethyl)piperidin-2-yl]ethyl]-1,9a-dimethyl-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h-cyclopenta[a]phenanthrene-2,7-diol
9a,11a-dimethyl-1-[1-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
(3s,4as,6ar,6bs,9s,11as,11br)-3-hydroxy-9-[(1s)-1-[(2s,3s,5s)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,6h,6ah,6bh,7h,8h,9h,11h,11ah-cyclohexa[a]fluoren-5-one
(1r,2s,6r,9r,10r,11r,14s,15s,18s,20s,23r,24s)-6,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
(3s)-5-hydroxy-3-[(2r,6s)-6-methoxy-5-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,6-dihydro-2h-pyran-2-yl]-3,4-dihydropyrrol-2-one
C26H39NO4 (429.28789340000003)