Exact Mass: 399.2383
Exact Mass Matches: 399.2383
Found 487 metabolites which its exact mass value is equals to given mass value 399.2383,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Spiramine A
Spiramine A is a diterpenoid. It derives from a hydride of an atisane. Spiramine A is a natural product found in Spiraea japonica with data available.
Quinacrine
An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. [PubChem] P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
candoxatrilat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
(5Z)-13-Carboxytridec-5-enoylcarnitine
(5Z)-13-Carboxytridec-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5Z)-tetradec-5-enedioic 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. (5Z)-13-Carboxytridec-5-enoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z)-13-Carboxytridec-5-enoylcarnitine 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].
(7Z)-Tetradec-7-enedioylcarnitine
(7Z)-Tetradec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an (7Z)-tetradec-7-enedioic 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. (7Z)-Tetradec-7-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (7Z)-Tetradec-7-enedioylcarnitine 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].
(2E)-Tetradec-2-enedioylcarnitine
(2E)-Tetradec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-tetradec-2-enedioic 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. (2E)-Tetradec-2-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (2E)-Tetradec-2-enedioylcarnitine 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].
(4Z)-Tetradec-4-enedioylcarnitine
(4Z)-Tetradec-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an (4Z)-tetradec-4-enedioic 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. (4Z)-Tetradec-4-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (4Z)-Tetradec-4-enedioylcarnitine 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].
(5E)-Tetradec-5-enedioylcarnitine
(5E)-Tetradec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an (5E)-tetradec-5-enedioic 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. (5E)-Tetradec-5-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5E)-Tetradec-5-enedioylcarnitine 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 Alanine
N-docosahexaenoyl alanine 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 Docosahexaenoic acd amide of Alanine. 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 Alanine 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 Alanine 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.
N-Eicosapentaenoyl Proline
N-eicosapentaenoyl proline 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 Eicosapentaenoic acid amide of Proline. 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-Eicosapentaenoyl Proline 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-Eicosapentaenoyl Proline 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.
21-Desacetyl Deflazacort
Candoxatrilat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Dorsomorphin
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Dorsomorphin (Compound C) is a selective and ATP-competitive AMPK inhibitor (Ki=109 nM in the absence of AMP). Dorsomorphin (BML-275) selectively inhibits BMP type I receptors ALK2, ALK3, and ALK6. Dorsomorphin can reverse autophagy activation and anti-inflammatory effect of Urolithin A (HY-100599)[1][2].
Epristeride
Phenylalanyl-prolyl-arginine nitrile
Spiradine F
Myriocin-12-en
[Raw Data] CBA30_Myriocin-12-en_neg_40eV_1-4_01_1594.txt [Raw Data] CBA30_Myriocin-12-en_neg_30eV_1-4_01_1593.txt [Raw Data] CBA30_Myriocin-12-en_neg_20eV_1-4_01_1592.txt [Raw Data] CBA30_Myriocin-12-en_neg_10eV_1-4_01_1579.txt [Raw Data] CBA30_Myriocin-12-en_pos_50eV_1-4_01_1564.txt [Raw Data] CBA30_Myriocin-12-en_pos_40eV_1-4_01_1563.txt [Raw Data] CBA30_Myriocin-12-en_pos_30eV_1-4_01_1562.txt [Raw Data] CBA30_Myriocin-12-en_pos_20eV_1-4_01_1561.txt [Raw Data] CBA30_Myriocin-12-en_pos_10eV_1-4_01_1547.txt
(3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
6-hydroxy-4-methoxyl-5-[(2E,6E)-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-one|emeriphenolicin D
(13R)-2alpha,11alpha-dihydroxy-13-isobutyryloxyhetisane|trichodelphinine B
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 2,5-dibenzyl, N-Ac|3-Deoxy-3-methylaminoxylose-Me glyoside, n-jAc, 2,5-dibenzyl
2-benzyl-3-phenyl-propionic acid-[2-(2-diethylamino-ethylsulfanyl)-ethyl ester]|2-Benzyl-3-phenyl-propionsaeure-[2-(2-diaethylamino-aethylmercapto)-aethylester]
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)-3-phenylPropanoic acid
Mepacrine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent [Raw Data] CB204_Mepacrine_neg_30eV_000037.txt D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors [Raw Data] CB204_Mepacrine_neg_20eV_000037.txt [Raw Data] CB204_Mepacrine_neg_10eV_000037.txt [Raw Data] CB204_Mepacrine_pos_50eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_40eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_30eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_20eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_10eV_isCID-10eV_rep000007.txt
(3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
Ala Gly Pro Arg
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Pro Val Gly Lys
Pro Val Gly Gln
Pro Val Lys Gly
Pro Val Asn Ala
Pro Val Gln Gly
Gln Gly Pro Val
Gln Gly Val Pro
Gln Pro Gly Val
Gln Pro Val Gly
Gln Val Gly Pro
Gln Val Pro Gly
Arg Ala Gly Pro
Arg Ala Pro Gly
Arg Gly Ala Pro
Arg Gly Pro Ala
Arg Pro Ala Gly
Arg Pro Gly Ala
Val Ala Asn Pro
Val Ala Pro Asn
Val Gly Lys Pro
Val Gly Pro Lys
Val Gly Pro Gln
Val Gly Gln Pro
Val Lys Gly Pro
Val Lys Pro Gly
Val Asn Ala Pro
Val Asn Pro Ala
Val Pro Ala Asn
Val Pro Gly Lys
Val Pro Gly Gln
Val Pro Lys Gly
Val Pro Asn Ala
Val Pro Gln Gly
Val Gln Gly Pro
Val Gln Pro Gly
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3,4-dihydroisoquinoline
1-[(E)-(3-methoxyphenyl)methylideneamino]oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
Urea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-phenyl-N-(3-pyridinylmethyl)- (9CI)
butyl 2-methylprop-2-enoate,2-(dimethylamino)ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-(TRIISOPROPYLSILYL)-1H-INDOLE
Epristeride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent
(2S)-2-[[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino]-3-phenylpropan-1-ol
butyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enamide,2-methylprop-2-enoic acid
1H-Benzimidazole,5-chloro-2-[1-[(1-cyclohexyl-1H-tetrazol-5-yl)methyl]-4-piperidinyl]-(9CI)
sodium 2-[methyl(1-oxohexadecyl)amino]ethanesulphonate
1-(TRIISOPROPYLSILYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
4-HEXYL-4-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-1,1-BIPHENYL
(trans,trans)-4-Pentyl-[1,1-bicyclohexyl]-4-carboxylic acid 4-cyano-3-fluorophenyl ester
5-Methoxy-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Coelenterazine hcp
(S)-1-[(R)-2-METHOXY-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-2-METHYL-4-(4-METHYL-PIPERIDIN-4-YL)-PIPERAZINE
Desvenlafaxine succinate
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4(3H)-one
MK-7622 (M1 receptor modulator) is a muscarinic M1 receptor positive allosteric modulator[1][2].
Urea, N-cyclopropyl-N-(3-((1,2-dihydro-2-oxo-6-quinolinyl)oxy)propyl)-N-((1R,2R)-2-hydroxycyclohexyl)-
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-Naphthalen-1-Ylurea
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
5,6-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-D]pyrimidin-4-amine
[4-(3-Aminomethyl-phenyl)-piperidin-1-YL]-(5-phenethyl-pyridin-3-YL)-methanone
N-Cycloheptylglycyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
N-[2-(1-Formyl-2-methyl-propyl)-1-(4-piperidin-1-YL-but-2-enoyl)-pyrrolidin-3-YL]-methanesulfonamide
3-[(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-4-hydroxy-5-(2-methylpropylamino)cyclohexa-3,5-diene-1,2-dione
5-Hydroxy-4,4,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)-3-oxocyclohexa-1,5-dien-1-olate
N-(2-amino-3-phenylpropanoyl)-1-[1-cyano-4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl (2E)-3-phenylprop-2-enoate
N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolinamine
4-[2-(trifluoromethyl)phenyl]-5-undecyl-4H-1,2,4-triazole-3-thiol
Aspernidine A
A member of the class of isoindoles that is isoindolin-1-one which is substituted at positions 4, 5 and 6 by hydroxy, triprenyloxy and methoxy groups, respectively. The alkaloid was isolated from the model fungus Aspegillus nidulans.
N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide
3-[[1-[1-(methylthio)propan-2-yl]-4-piperidinyl]oxy]-N-(2-pyridinylmethyl)benzamide
1-Butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
2-(dimethylamino)-N-ethyl-N-[[(2R,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
1-[[(2S,3R,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
2-cyclohexyl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
(1S,10R)-10-Butyl-12-hydroxy-8-(methoxymethyl)-4-phenyl-11-oxa-2,4,6-triaza-12-boratricyclo[7.4.0.02,6]tridec-8-ene-3,5-dione
(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3S,4R)-2-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-4-(hydroxymethyl)-3-phenyl-N-propyl-1-azetidinecarboxamide
2-(dimethylamino)-N-ethyl-N-[[(2S,3R,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
N-[[(2S,3S,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
N-[[(2R,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
1-[[(2S,3S,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[[(2R,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
(2R,3S)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
[(2R,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3S)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(E,4S)-4-[[(2S)-2-[[(2S)-2-(diaminomethylideneazaniumyl)-3-hydroxypropanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R,4R)-2-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-4-(hydroxymethyl)-3-phenyl-N-propyl-1-azetidinecarboxamide
N-[[(2S,3R,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
N-[[(2R,3S,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
1-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-cyclopentyl-1-methylurea
1-[[(2R,3S,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[[(2S,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone
(2R,3R)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3R)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3S)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(2-pyridinyl)methanone
[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(2E)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexadec-2-enoate
(2S,3S,3aR,9bR)-1-(2-cyclopropylacetyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-1-(2-cyclopropylacetyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(E,15R)-15-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhexadec-2-enoate
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
methyl (E)-2-[(3R,4R,6R,7S,8aR)-6-ethyl-4-methyl-2-oxospiro[1H-indole-3,1-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7-yl]-3-methoxyprop-2-enoate
quinacrine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
dorsomorphin
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Dorsomorphin (Compound C) is a selective and ATP-competitive AMPK inhibitor (Ki=109 nM in the absence of AMP). Dorsomorphin (BML-275) selectively inhibits BMP type I receptors ALK2, ALK3, and ALK6. Dorsomorphin can reverse autophagy activation and anti-inflammatory effect of Urolithin A (HY-100599)[1][2].
deacetoxyvindolinium(1+)
The conjugate acid of deacetoxyvindoline arising from protonation of the tertiary amino group; major species at pH 7.3.
colupulone(1-)
A beta-bitter acid(1-) that is the conjugate base of colupulone, obtained by deprotonation of one of the enolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(5Z)-13-carboxytridec-5-enoylcarnitine
An O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent.
YM-47522
A cinnamate ester obtained by the formal condensation of the carboxy group of trans-cinnamic acid with the 9-hydroxy group of 7,9-dihydroxy-8,10-dimethyltrideca-2,4-dienamide (the 4R,5S,6R,7R,9E,11Z stereoisomer). It is obtained from the fermentation broth of Bacillus sp.YL-03709B and exhibits antifungal activity.
oscr#27(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#27, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2z,4e,7s,8s,9r,10s)-7-hydroxy-8,10-dimethyl-9-{[(2e)-3-phenylprop-2-enoyl]oxy}trideca-2,4-dienimidic acid
methyl 18-hydroxy-11-(2-hydroxyethyl)-2,15-dimethyl-9-oxo-4-azapentacyclo[11.4.1.0⁴,¹⁶.0⁶,¹⁵.0¹⁰,¹⁴]octadeca-10(14),11,13(18)-triene-12-carboxylate
(1r,2r,5s,7r,8r,13s,18s,21s)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2²,⁵.0²,⁷.0⁸,¹⁸.0⁸,²¹.0¹³,¹⁷]tricosan-3-yl acetate
3-{[(1r,2s,4ar,8as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-2-hydroxy-5-[(2-methylpropyl)amino]cyclohexa-2,5-diene-1,4-dione
(5s)-3-[(1r,2s,4ar,6r,8ar)-1,6-dimethyl-2-[(1e,3e)-penta-1,3-dien-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-5-[(1s)-1-hydroxyethyl]-5h-pyrrole-2,4-diol
11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
(2s,4s,5s,8r,10s,13r,14r,16s,17r,19r)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
6-methoxy-5-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]-3h-isoindole-1,4-diol
(1r,2r,4s,5r,8s,10r,12s,13s,14r,16r,17r,19r)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
6-methoxy-5-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-3h-isoindole-1,4-diol
4,6,6'-trihydroxy-2',5',5',8'a-tetramethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-8-one
11-acetyl-1,19-epoxydenudatine
{"Ingredient_id": "HBIN000334","Ingredient_name": "11-acetyl-1,19-epoxydenudatine","Alias": "NA","Ingredient_formula": "C24H33NO4","Ingredient_Smile": "CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CCC(C6OC(=O)C)C(=C)C7O","Ingredient_weight": "399.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "388","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101589674","DrugBank_id": "NA"}
(5r,7r,10s)-isopterocarpolon β-d-gluco-pyranoside
{"Ingredient_id": "HBIN011912","Ingredient_name": "(5r,7r,10s)-isopterocarpolon \u03b2-d-gluco-pyranoside","Alias": "NA","Ingredient_formula": "C21H35O7","Ingredient_Smile": "CC1=CC(=O)CC2(C1CC(CC2)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16073","TCMID_id": "11631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
