Exact Mass: 341.19106239999996

Exact Mass Matches: 341.19106239999996

Found 118 metabolites which its exact mass value is equals to given mass value 341.19106239999996, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Propafenone

1-(2-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone

C21H27NO3 (341.1990832)


Propafenone is only found in individuals that have used or taken this drug. It is an antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. The drug is generally well tolerated. [PubChem]The electrophysiological effect of propafenone manifests itself in a reduction of upstroke velocity (Phase 0) of the monophasic action potential. In Purkinje fibers, and to a lesser extent myocardial fibers, propafenone reduces the fast inward current carried by sodium ions, which is responsible for the drugs antiarrhythmic actions. Diastolic excitability threshold is increased and effective refractory period prolonged. Propafenone reduces spontaneous automaticity and depresses triggered activity. At very high concentrations in vitro, propafenone can inhibit the slow inward current carried by calcium but this calcium antagonist effect probably does not contribute to antiarrhythmic efficacy. C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; INTERNAL_ID 2285 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Propafenone (SA-79), a sodium-channel blocker, acts an antiarrhythmic agent. Propafenone also has high affinity for the β receptor (IC50=32 nM)[1]. Propafenone blocks the transient outward current (Ito) and the sustained delayed rectifier K current (Isus) with IC50 values of 4.9?μm and 8.6?μm, respectively[2]. Propafenone suppresses esophageal cancer proliferation through inducing mitochondrial dysfunction and induce apoptosis[3].

   

7-Acetylintermedine

[(1R,7AR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid

C17H27NO6 (341.1838282)


7-acetylintermedine belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. 7-acetylintermedine is soluble (in water) and a very weakly acidic compound (based on its pKa). 7-acetylintermedine can be found in borage, which makes 7-acetylintermedine a potential biomarker for the consumption of this food product.

   

7-Acetyllycopsamine

[(1R,7AR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid

C17H27NO6 (341.1838282)


7-acetyllycopsamine is soluble (in water) and a very weakly acidic compound (based on its pKa). 7-acetyllycopsamine can be found in borage, which makes 7-acetyllycopsamine a potential biomarker for the consumption of this food product. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2277

   

Pipernonaline

(2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one

C21H27NO3 (341.1990832)


Pipernonaline is found in herbs and spices. Pipernonaline is an alkaloid from the fruits of Piper longum (long pepper

   

Retrofractamide D

(2E,4E,9E)-10-(2H-1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)deca-2,4,9-trienimidate

C21H27NO3 (341.1990832)


Retrofractamide D is an alkaloid from Piper retrofractum (Javanese long pepper). Alkaloid from Piper retrofractum (Javanese long pepper).

   

3,4-Dimethylideneoctanedioylcarnitine

3-[(7-carboxy-3,4-dimethylideneheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


3,4-Dimethylideneoctanedioylcarnitine is an acylcarnitine. More specifically, it is an 3,4-dimethylideneoctanedioic 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. 3,4-Dimethylideneoctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3,4-Dimethylideneoctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

2,3-Dimethylideneoctanedioylcarnitine

3-[(7-carboxy-2,3-dimethylideneheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


2,3-Dimethylideneoctanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,3-dimethylideneoctanedioic 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. 2,3-Dimethylideneoctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,3-Dimethylideneoctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-5,8-dienedioylcarnitine

3-[(9-carboxynona-5,8-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-5,8-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-5,8-dienedioic 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. Deca-5,8-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-5,8-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

(2Z,4E)-Deca-2,4-dienedioylcarnitine

3-[(9-carboxynona-2,4-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


(2Z,4E)-Deca-2,4-dienedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z,4E)-deca-2,4-dienedioic 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. (2Z,4E)-Deca-2,4-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z,4E)-Deca-2,4-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-3,8-dienedioylcarnitine

3-[(9-carboxynona-3,8-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-3,8-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-3,8-dienedioic 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. Deca-3,8-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-3,8-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-2,8-dienedioylcarnitine

3-[(9-carboxynona-2,8-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-2,8-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-2,8-dienedioic 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. Deca-2,8-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-2,8-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-4,7-dienedioylcarnitine

3-[(9-carboxynona-4,7-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-4,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-4,7-dienedioic 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. Deca-4,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-4,7-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-5,7-dienedioylcarnitine

3-[(9-carboxynona-5,7-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-5,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-5,7-dienedioic 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. Deca-5,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-5,7-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-4,6-dienedioylcarnitine

3-[(9-carboxynona-4,6-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-4,6-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-4,6-dienedioic 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. Deca-4,6-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-4,6-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-4,8-dienedioylcarnitine

3-[(9-carboxynona-4,8-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-4,8-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-4,8-dienedioic 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. Deca-4,8-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-4,8-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

Deca-3,7-dienedioylcarnitine

3-[(9-carboxynona-3,7-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C17H27NO6 (341.1838282)


Deca-3,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-3,7-dienedioic 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. Deca-3,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-3,7-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].

   

1H-Purine-2,6-dione, 7-(2-(ethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-

1H-Purine-2,6-dione, 7-(2-(ethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-

C18H23N5O2 (341.1851658)


   

Fenethylline

1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C18H23N5O2 (341.1851658)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

Tibalosin

1-(2,3-dihydro-1-benzothiophen-5-yl)-2-[(4-phenylbutyl)amino]propan-1-ol

C21H27NOS (341.18132520000006)


   

Acetyllycopsamine

[1-(Acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2,3-dihydroxy-2-(propan-2-yl)butanoic acid

C17H27NO6 (341.1838282)


Acetyllycopsamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Acetyllycopsamine can be found in borage, which makes acetyllycopsamine a potential biomarker for the consumption of this food product.

   

7-Acetylechinatine

7-O-Acetylechinatine

C17H27NO6 (341.1838282)


   
   
   
   

Deacetylheterophylloidine

Deacetylheterophylloidine

C21H27NO3 (341.1990832)


   

FENETHYLLINE

FENETHYLLINE

C18H23N5O2 (341.1851658)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

2-cyclohexyl-1-oxo-1,4-dihydro-2H-spiro[cyclohexane-1,3-isoquinoline]-4-carboxylic acid

2-cyclohexyl-1-oxo-1,4-dihydro-2H-spiro[cyclohexane-1,3-isoquinoline]-4-carboxylic acid

C21H27NO3 (341.1990832)


   

UR-144 N-pentanoic acid

UR-144 N-pentanoic acid

C21H27NO3 (341.1990832)


   

4-ethyl-10,14-dihydroxy-5-(1-hydroxyethyl)-11-methoxy-12-oxa-4-aza-tricyclo[9.2.1.02,5]tetradec-1-en-3-one|phyllostictine C

4-ethyl-10,14-dihydroxy-5-(1-hydroxyethyl)-11-methoxy-12-oxa-4-aza-tricyclo[9.2.1.02,5]tetradec-1-en-3-one|phyllostictine C

C17H27NO6 (341.1838282)


   
   
   
   
   
   

17alpha-cyanomethylestra-1,3,5(10)-triene-2,3,17-triol 2-methyl ether

17alpha-cyanomethylestra-1,3,5(10)-triene-2,3,17-triol 2-methyl ether

C21H27NO3 (341.1990832)


   

3,18-Dioxo-11??-hydroxycona-1,4-diene

3,18-Dioxo-11??-hydroxycona-1,4-diene

C21H27NO3 (341.1990832)


   

Acetyllycopsamine

BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (1-(ACETYLOXY)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(2S*,3S*),7A.BETA.))-

C17H27NO6 (341.1838282)


Acetyllycopsamine is a member of pyrrolizines. 7-Acetyllycopsamine is a natural product found in Echium horridum, Amsinckia menziesii, and other organisms with data available. See also: Comfrey Leaf (part of).

   

Acetylintermedine

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (1R-(1alpha,7(2S*,3R*),7abeta))-

C17H27NO6 (341.1838282)


Acetylintermedine is a member of pyrrolizines. Acetylintermedine is a natural product found in Echium pininana, Oreocarya flava, and other organisms with data available.

   

(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one

NCGC00347382-02!(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one

C21H27NO3 (341.1990832)


   

Pipernonaline

(2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one

C21H27NO3 (341.1990832)


   

propafenone

propafenone

C21H27NO3 (341.1990832)


C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Propafenone (SA-79), a sodium-channel blocker, acts an antiarrhythmic agent. Propafenone also has high affinity for the β receptor (IC50=32 nM)[1]. Propafenone blocks the transient outward current (Ito) and the sustained delayed rectifier K current (Isus) with IC50 values of 4.9?μm and 8.6?μm, respectively[2]. Propafenone suppresses esophageal cancer proliferation through inducing mitochondrial dysfunction and induce apoptosis[3].

   

omega-6-undecenyltyrazolone

omega-6-undecenyltyrazolone

C21H27NO3 (341.1990832)


   

pipernonaline_major

pipernonaline_major

C21H27NO3 (341.1990832)


   

p-Hydroxynorpropoxyphene

p-Hydroxynorpropoxyphene

C21H27NO3 (341.1990832)


   

PC(O-6:0/0:0)[U]

3,5,9-Trioxa-4-phosphapentadecan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (1)-

C14H32NO6P (341.19671420000003)


   

Retrofractamide D

(2E,4E,9E)-10-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)deca-2,4,9-trienamide

C21H27NO3 (341.1990832)


   

d-erythro-sphingosine (sulfate)

d-erythro-sphingosine (sulfate)

C14H31NO6S (341.1871986)


   

Benaprizine

Benaprizine

C21H27NO3 (341.1990832)


C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent

   

9-ethyl-3-(n-ethyl-n-phenylhydrazonomethyl)carbazole

9-ethyl-3-(n-ethyl-n-phenylhydrazonomethyl)carbazole

C23H23N3 (341.1891878)


   

diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-ylidene)Malonate

diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-ylidene)Malonate

C17H27NO6 (341.1838282)


   

2,6-bis[1-(2-methylphenylimino)ethyl]pyridine

2,6-bis[1-(2-methylphenylimino)ethyl]pyridine

C23H23N3 (341.1891878)


   

N-(4-Methoxybenzyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

N-(4-Methoxybenzyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C18H24BN3O3 (341.19106239999996)


   
   

1-(2,3-Dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol

1-(2,3-Dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol

C21H27NOS (341.18132520000006)


   

5-[3-(Dimethylamino)propylamino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4-dione

5-[3-(Dimethylamino)propylamino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4-dione

C18H23N5O2 (341.1851658)


   

1-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-piperidinol

1-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-piperidinol

C21H27NO3 (341.1990832)


   

Diethylaminoethyl diphenylhydroxypropionate

Diethylaminoethyl diphenylhydroxypropionate

C21H27NO3 (341.1990832)


   

9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine

9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine

C18H23N5O2 (341.1851658)


   

3-Hydroxyquininium

3-Hydroxyquininium

C20H25N2O3+ (341.186508)


An organic cation that is the conjugate acid of 3-hydroxyquinine, formed via protonation of the tertiary amino group; major species at pH 7.3.

   

3,4-Dimethylideneoctanedioylcarnitine

3,4-Dimethylideneoctanedioylcarnitine

C17H27NO6 (341.1838282)


   

2,3-Dimethylideneoctanedioylcarnitine

2,3-Dimethylideneoctanedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-5,8-dienedioylcarnitine

Deca-5,8-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-3,8-dienedioylcarnitine

Deca-3,8-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-2,8-dienedioylcarnitine

Deca-2,8-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-4,7-dienedioylcarnitine

Deca-4,7-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-5,7-dienedioylcarnitine

Deca-5,7-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-4,6-dienedioylcarnitine

Deca-4,6-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-4,8-dienedioylcarnitine

Deca-4,8-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

Deca-3,7-dienedioylcarnitine

Deca-3,7-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

(2Z,4E)-Deca-2,4-dienedioylcarnitine

(2Z,4E)-Deca-2,4-dienedioylcarnitine

C17H27NO6 (341.1838282)


   

N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

C20H24FN3O (341.1903306)


   

3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide

3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide

C18H23N5O2 (341.1851658)


   

(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate

(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate

C18H29O6- (341.1964034)


   

1-(4-Ethoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol

1-(4-Ethoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol

C21H27NO3 (341.1990832)


   

(1R,5S)-3-(phenylmethyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

(1R,5S)-3-(phenylmethyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

C23H23N3 (341.1891878)


   

(1R,5S)-7-(4-phenylphenyl)-3-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane

(1R,5S)-7-(4-phenylphenyl)-3-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C23H23N3 (341.1891878)


   

(3-Hexoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

(3-Hexoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

C14H32NO6P (341.19671420000003)


   

2-Aminoethyl (2-hydroxy-3-nonoxypropyl) hydrogen phosphate

2-Aminoethyl (2-hydroxy-3-nonoxypropyl) hydrogen phosphate

C14H32NO6P (341.19671420000003)


   
   

(1e,5r,10s,11s,14s)-4-ethyl-10,14-dihydroxy-5-[(1s)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.0²,⁵]tetradec-1-en-3-one

(1e,5r,10s,11s,14s)-4-ethyl-10,14-dihydroxy-5-[(1s)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.0²,⁵]tetradec-1-en-3-one

C17H27NO6 (341.1838282)


   

(1s,2s,5s,6r,9r,11r,12s,13s)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

(1s,2s,5s,6r,9r,11r,12s,13s)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

C21H27NO3 (341.1990832)


   

(1s,2s,3r,5r,6s,10s,16s)-16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

(1s,2s,3r,5r,6s,10s,16s)-16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

C21H27NO3 (341.1990832)


   

[(7r)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

[(7r)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

C17H27NO6 (341.1838282)


   

(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 3-(acetyloxy)-2-hydroxy-2-isopropylbutanoate

(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 3-(acetyloxy)-2-hydroxy-2-isopropylbutanoate

C17H27NO6 (341.1838282)


   

16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

C21H27NO3 (341.1990832)


   

[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

C17H27NO6 (341.1838282)


   

3,18-dioxo-11α-hydroxycona-1,4-diene

NA

C21H27NO3 (341.1990832)


{"Ingredient_id": "HBIN006971","Ingredient_name": "3,18-dioxo-11\u03b1-hydroxycona-1,4-diene","Alias": "NA","Ingredient_formula": "C21H27NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6468","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3'-acetylechinatine

NA

C17H27NO6 (341.1838282)


{"Ingredient_id": "HBIN007876","Ingredient_name": "3'-acetylechinatine","Alias": "NA","Ingredient_formula": "C17H27NO6","Ingredient_Smile": "CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)O)O","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37200","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101924036","DrugBank_id": "NA"}

   

3'-acetylrinderine

NA

C17H27NO6 (341.1838282)


{"Ingredient_id": "HBIN007882","Ingredient_name": "3'-acetylrinderine","Alias": "NA","Ingredient_formula": "C17H27NO6","Ingredient_Smile": "CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)O)O","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37198","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101993113","DrugBank_id": "NA"}

   

7-Acetyllycops-amine

NA

C17H27NO6 (341.1838282)


{"Ingredient_id": "HBIN013023","Ingredient_name": "7-Acetyllycops-amine","Alias": "NA","Ingredient_formula": "C17H27NO6","Ingredient_Smile": "CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)O","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37733","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91747347","DrugBank_id": "NA"}

   

acetylindicine

NA

C17H27NO6 (341.1838282)


{"Ingredient_id": "HBIN014477","Ingredient_name": "acetylindicine","Alias": "NA","Ingredient_formula": "C17H27NO6","Ingredient_Smile": "CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "437","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,5r,8r,9s,11s,13s,14s,17r,18s)-13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

(1s,5r,8r,9s,11s,13s,14s,17r,18s)-13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

C21H27NO3 (341.1990832)


   

10-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)deca-2,4,9-trienimidic acid

10-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)deca-2,4,9-trienimidic acid

C21H27NO3 (341.1990832)


   

(1r,3s,5r,8r,9s,11s,14r,17r,18r)-3-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione

(1r,3s,5r,8r,9s,11s,14r,17r,18r)-3-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione

C21H27NO3 (341.1990832)


   

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

11-hydroxy-7,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-diene-6,16-dione

11-hydroxy-7,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-diene-6,16-dione

C21H27NO3 (341.1990832)


   

{7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl}methyl 2,3-dihydroxybutanoate

{7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl}methyl 2,3-dihydroxybutanoate

C17H27NO6 (341.1838282)


   

(1s,2s,3r,5r,6s,10s,16r)-16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

(1s,2s,3r,5r,6s,10s,16r)-16-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-14,20-dione

C21H27NO3 (341.1990832)


   

(1s,2r,5s,6s,9r,11s,12s,13s)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

(1s,2r,5s,6s,9r,11s,12s,13s)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

C21H27NO3 (341.1990832)


   

(2s,3r,4s)-2-heptyl-3,4-dihydroxy-3-(hydroxymethyl)-6-methoxy-7-methylidene-2h,4h-pyrano[2,3-c]pyrrol-5-one

(2s,3r,4s)-2-heptyl-3,4-dihydroxy-3-(hydroxymethyl)-6-methoxy-7-methylidene-2h,4h-pyrano[2,3-c]pyrrol-5-one

C17H27NO6 (341.1838282)


   

9-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one

9-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one

C21H27NO3 (341.1990832)


   

(2e,4e,9e)-10-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)deca-2,4,9-trienimidic acid

(2e,4e,9e)-10-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)deca-2,4,9-trienimidic acid

C21H27NO3 (341.1990832)


   

8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

C21H27NO3 (341.1990832)


   

4-ethyl-10,14-dihydroxy-5-(1-hydroxyethyl)-11-methoxy-12-oxa-4-azatricyclo[9.2.1.0²,⁵]tetradec-1-en-3-one

4-ethyl-10,14-dihydroxy-5-(1-hydroxyethyl)-11-methoxy-12-oxa-4-azatricyclo[9.2.1.0²,⁵]tetradec-1-en-3-one

C17H27NO6 (341.1838282)


   

13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

C21H27NO3 (341.1990832)


   

(1s,2s,5s,9r,11r,12s,13r)-11-hydroxy-7,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-diene-6,16-dione

(1s,2s,5s,9r,11r,12s,13r)-11-hydroxy-7,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-diene-6,16-dione

C21H27NO3 (341.1990832)


   

[(7r)-7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2,3-dihydroxybutanoate

[(7r)-7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2,3-dihydroxybutanoate

C17H27NO6 (341.1838282)


   

[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

C17H27NO6 (341.1838282)


   

2-heptyl-3,4-dihydroxy-3-(hydroxymethyl)-6-methoxy-7-methylidene-2h,4h-pyrano[2,3-c]pyrrol-5-one

2-heptyl-3,4-dihydroxy-3-(hydroxymethyl)-6-methoxy-7-methylidene-2h,4h-pyrano[2,3-c]pyrrol-5-one

C17H27NO6 (341.1838282)


   

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

[(7r,7ar)-7-{[(2r)-2-methylbutanoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r,3s)-2,3-dihydroxybutanoate

[(7r,7ar)-7-{[(2r)-2-methylbutanoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r,3s)-2,3-dihydroxybutanoate

C17H27NO6 (341.1838282)


   

[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-[(1s)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

(1s,5r,8r,9s,11s,13r,14s,17r,18s)-13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

(1s,5r,8r,9s,11s,13r,14s,17r,18s)-13-hydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10-dione

C21H27NO3 (341.1990832)


   

[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-[(1r)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate

C17H27NO6 (341.1838282)


   

(1s,2s,5s,6s,9r,11r,12s,13r)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

(1s,2s,5s,6s,9r,11r,12s,13r)-8,11-dihydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one

C21H27NO3 (341.1990832)