Exact Mass: 331.171824
Exact Mass Matches: 331.171824
Found 500 metabolites which its exact mass value is equals to given mass value 331.171824,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetramethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Sekisanin
Bucharaine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 1.132 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.131 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.129 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128
Pretazettine
Pretazettine, also known as pretazettine hydrochloride, (6abeta,8beta)-isomer, is a member of the class of compounds known as tazettine-type amaryllidaceae alkaloids. Tazettine-type amaryllidaceae alkaloids are amaryllidaceae alkaloids derived from the haemanthamine-type alkaloids, which are characterized as a linkage between C6 and C11 by an oxygen atom to form a [3,4-g]benzopyran framework. Pretazettine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pretazettine can be found in lovage, which makes pretazettine a potential biomarker for the consumption of this food product.
(+)-Mahanimbine
(±)-Mahanimbine is found in herbs and spices. (±)-Mahanimbine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). (±)-Mahanimbine is found in herbs and spices.
Salmefamol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Pitolisant hydrochloride
C78272 - Agent Affecting Nervous System Pitolisant hydrochloride is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
(+)-Mahanimbicine
(+)-Mahanimbicine is found in herbs and spices. (+)-Mahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree (+)-Mahanimbicine is a member of carbazoles. (+)-Mahanimbicine is a natural product found in Murraya koenigii with data available.
(±)-Currayangine
Currayangine is a member of phenanthridines. Curryangine is a natural product found in Murraya koenigii and Murraya paniculata with data available. (±)-Currayangine is found in herbs and spices. (±)-Currayangine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree
Alitame
C14H25N3O4S (331.15656900000005)
Alitame is a sweetening agent. It is intensely sweet, approximately 2000 times sweeter than sucrose. Its use is currently (1999) permitted in Australia, New Zealand, Indonesia and China. Alitame is an artificial sweetener developed by Pfizer in the early 1980s and currently marketed in some countries under the brand name Aclame. Like aspartame, alitame is an aspartic acid-containing dipeptide. Most dipeptides are not sweet, but the unexpected discovery of aspartame in 1965 led to a search for similar compounds that shared its sweetness. Alitame is one such second-generation dipeptide sweetener. Neotame, developed by the owners of the NutraSweet brand, is another. Sweetening agent. Intensely sweet, approx. 2000 x sucrose. Use currently (1999) permitted in Australia, New Zealand, Indonesia and China
Isomurrayazoline
Isomurrayazoline is found in herbs and spices. Isomurrayazoline is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Currayanine
Currayanine is found in herbs and spices. Currayanine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree
Pandamarilactone 31
Pandamarilactone 31 is a food flavouring. Pandamarilactone 31 is an alkaloid from leaves of Pandanus amaryllifolius. Food flavouring. Alkaloid from leaves of Pandanus amaryllifolius
Bicyclomahanimbine
Bicyclomahanimbine is found in herbs and spices. Bicyclomahanimbine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
Bicyclomahanimbicine
Bicyclomahanimbicine is found in herbs and spices. Bicyclomahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
5-hydroxy saxagliptin
5-hydroxy saxagliptin is a metabolite of saxagliptin. Saxagliptin, previously identified as BMS-477118, is a new oral hypoglycemic of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Early development was solely by Bristol-Myers Squibb; in 2007 AstraZeneca joined with Bristol-Myers Squibb to co-develop the final compound and collaborate on the marketing of the drug. A New Drug Application for saxagliptin in the treatment of type 2 diabetes was submitted to the FDA in June 2008. (Wikipedia)
3-methyloctanedioylcarnitine
3-methyloctanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-methyloctanedioic 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-methyloctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methyloctanedioylcarnitine 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].
2,4-dimethylheptanedioylcarnitine
2,4-dimethylheptanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,4-dimethylheptanedioic 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. 2,4-dimethylheptanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,4-dimethylheptanedioylcarnitine 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].
6-Hydroxyoct-2-enedioylcarnitine
6-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-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. 6-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-2-enedioylcarnitine 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].
6-Hydroxyoct-3-enedioylcarnitine
6-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-3-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. 6-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-3-enedioylcarnitine 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].
7-Hydroxyoct-3-enedioylcarnitine
7-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-3-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. 7-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-3-enedioylcarnitine 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].
7-Hydroxyoct-4-enedioylcarnitine
7-hydroxyoct-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-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. 7-hydroxyoct-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-4-enedioylcarnitine 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].
5-Hydroxyoct-2-enedioylcarnitine
5-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxyoct-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. 5-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-hydroxyoct-2-enedioylcarnitine 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].
Nonanedioylcarnitine
nonanedioylcarnitine is an acylcarnitine. More specifically, it is an nonanedioic 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. nonanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nonanedioylcarnitine 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].
4-(4-Fluorophenyl)-3-(4-hydroxy-3-methoxyphenoxymethyl)piperidine
Prizidilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
16alpha, 17-epoxy gibberellin A9
16alpha, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16alpha, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16alpha, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16alpha, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products. 16α, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16α, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16α, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16α, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products.
3,7-Dihydro-3,10-dimethyl-3-(4-methyl-3-pentenyl)pyrano[2,3-c]carbazole
Haploperine;Haploperin; Haplophytin B; Haplophytine B; NSC 94653
N-(3,4-Dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
Aad(-Ala-D-Val)|L,L,D-alpha-aminodipoyl-alanyl-valine
15,16-ethane-1,2-diyldioxy-3beta-methoxy-(6xi)-erythrinan-2alpha-ol|Erythratin
3,3,5,7-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahamimbin|Bicyclomahanimbin
3,3,5,10-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahanimbicin
6-methoxy-7-(2-methoxy-3-methyl-but-3-enyl)-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Me ether -Ptelefolidine|O-methyl-ptelefolidine|Ptelefolidinmethylether
12-methoxy-kesselringane-2,11beta-diol|Kesselringin|kesselringine|O-Methyl-kesselringin
4,8-dimethoxy-5-methyl-7-(3-methyl-but-2-enyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one|Ptelecortin|Ptelecortine
1-(4,8-dimethoxy-furo[2,3-b]quinolin-7-yloxy)-3-methyl-butan-2-ol|dihydro-evodine|dihydro-evoxoidine|Dihydroevoxoidin|evodine
5,5,7-trimethyl-2-methylene-1,2,3,4,4a,5,13,13c-octahydro-isochromeno[4,3-a]carbazole|Murrayazolidin
Lotusine hydroxide
Lotusine (hydroxide) is a pure alkaloid extracted from the green seed embryo of Nelumbo nucifera Gaertn. Lotusine (hydroxide) shows effects on the action potentials in myocardium and slow inward current in cardiac Purkinje fibers[1].
Alitame
C14H25N3O4S (331.15656900000005)
CONFIDENCE standard compound; INTERNAL_ID 5808
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
C18H21NO5_Tazettine
C23H25NO_Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)
Tazettine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based: Match]
Ala Ala Gly Asn
C12H21N5O6 (331.14917660000003)
Ala Ala Asn Gly
C12H21N5O6 (331.14917660000003)
Ala Gly Ala Asn
C12H21N5O6 (331.14917660000003)
Ala Gly Gly Gln
C12H21N5O6 (331.14917660000003)
Ala Gly Asn Ala
C12H21N5O6 (331.14917660000003)
Ala Gly Gln Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Ala Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Gly Ala
C12H21N5O6 (331.14917660000003)
Ala Gln Gly Gly
C12H21N5O6 (331.14917660000003)
Gly Ala Ala Asn
C12H21N5O6 (331.14917660000003)
Gly Ala Gly Gln
C12H21N5O6 (331.14917660000003)
Gly Ala Asn Ala
C12H21N5O6 (331.14917660000003)
Gly Ala Gln Gly
C12H21N5O6 (331.14917660000003)
Gly Gly Ala Gln
C12H21N5O6 (331.14917660000003)
Gly Gly Gln Ala
C12H21N5O6 (331.14917660000003)
Gly Asn Ala Ala
C12H21N5O6 (331.14917660000003)
Gly Gln Ala Gly
C12H21N5O6 (331.14917660000003)
Gly Gln Gly Ala
C12H21N5O6 (331.14917660000003)
4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine
Asn Ala Ala Gly
C12H21N5O6 (331.14917660000003)
Asn Ala Gly Ala
C12H21N5O6 (331.14917660000003)
Asn Gly Ala Ala
C12H21N5O6 (331.14917660000003)
Gln Ala Gly Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Ala Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Gly Ala
C12H21N5O6 (331.14917660000003)
Bicyclomahanimbicine
Bicyclomahanimbine
curryangin
(+)-Mahanimbicine
Isomurrayazoline
Curryanine
Pandamarilactone 31
(4-hydroxypiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
C18H26BNO4 (331.19547860000006)
N-benzyl-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid
4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
Esmolol hydrochloride
C16H26ClNO4 (331.15502660000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Esmolol hydrochloride is a beta adrenergic receptor blocker.
Dibenzepin hydrochloride
C18H22ClN3O (331.14513120000004)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
4-(4-benzylpiperidin-1-yl)quinazoline-6-carbaldehyde
tert-Butyl 4-(3-oxo-3-phenylpropanoyl)piperidine-1-carboxylate
Uracil,6-amino-5-[2-(benzylmethylamino)acetamido]-1,3-dimethyl- (6CI)
C16H21N5O3 (331.16443160000006)
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL PIPERIDINE-1-CARBOXYLATE
C18H26BNO4 (331.19547860000006)
TERT-BUTYL 4-(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
Hydroxy Saxagliptin
D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
3-DIMETHYLAMINO-2-[1-(4-METHOXY-BENZYL)-1H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
C16H21N5O3 (331.16443160000006)
4-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester
C18H26BNO4 (331.19547860000006)
1-Benzyl 3-ethyl 3-allyl-1,3-piperidinedicarboxylate
Protokylol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
1-Benzyl-4-(piperidin-4-yl)piperazine dihydrochloride
C16H27Cl2N3 (331.15819220000003)
TETRAPROPYLAMMONIUM HEXAFLUOROPHOSPHATE
C12H28F6NP (331.1863450000001)
3-DIMETHYLAMINO-2-[2-(4-METHOXY-BENZYL)-2H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
C16H21N5O3 (331.16443160000006)
1-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-4-yl]imidazolidin-2-one
1-(4-TOLUENENSULFONYLAMINO)-2,6-DIISOPROPYLBENZENE
1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone
C18H26BNO4 (331.19547860000006)
2-Phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
azanium,butyl prop-2-enoate,ethyl prop-2-enoate,2-methylprop-2-enoate
PROPIONYLCHOLINE P-TOLUENESULFONATE
C15H25NO5S (331.14533600000004)
Benzenemethanamine,N-[bis(4-methoxyphenyl)methylene]-
ethyl 3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-2-yl]propanoate
(1.ALPHA.,3A.ALPHA.,6A.ALPHA.)-HEXAHYDRO-4-OXO-CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID-1-ETHYL2-(PHENYLMETHYL) ESTER
TERT-BUTYL 2-(2-ETHOXY-1,1-DIMETHYL-2-OXOETHYL)-1H-INDOLE-1-CARBOXYLATE
dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine
Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-Benzenediacetic acid)
C17H21N3O4 (331.15319860000005)
2-Isopropoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
C15H21BF3NO3 (331.15665020000006)
(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine
N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C18H26BNO4 (331.19547860000006)
3-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester
C18H26BNO4 (331.19547860000006)
ETHYL 4-(BENZYLOXYCARBONYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE
2-Hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-YL]-5-phenyl-1H-pyrimidine-4,6-dione
C17H21N3O4 (331.15319860000005)
1-[(2r)-2-Aminobutanoyl]-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
N-1H-imidazol-2-yl-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
6-([5-Quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-D]pyrimidine
Carnosate
C20H27O4- (331.19092420000004)
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of carnosic acid. The major species at pH 7.3.
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
N-(6-Ethyl-1-oxoindan-4-ylcarbonyl)isoleucine methyl ester
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
(1R,2R,5R,8R,9S,10R,11R,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
4-{3-[(1E,3E,5E,8E,10E,12R)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate
C20H27O4- (331.19092420000004)
(11S,16S)-7-oxo-ent-kauran-11,16-epoxy-19-oate
C20H27O4- (331.19092420000004)
(1R,2S,4R,5R,8R,9S,11S)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
C20H27O4- (331.19092420000004)
(3E)-3-[(2S)-1-hydroxy-2,4-dimethylhexylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
(-)-trans-4-[4-(4-Fluorophenyl)-3-piperidinylmethoxy]-2-methoxyphenol(Paroxetine metabolite)
3-(2,6-Dimethylpiperidin-1-yl)-5-{(E)-[hydroxy(4-methoxyphenyl)methylidene]amino}-1,2,3-oxadiazol-3-ium
C17H23N4O3+ (331.17700679999996)
Sekisanolin
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
gibberellin A4(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A4, obtained by deprotonation of the carboxy group.
(15R)-9,15-Dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
1-(3-Methoxyphenyl)-3-[(1,7,7-trimethylnorbornan-2-ylidene)amino]thiourea
N-[4-(1-piperidinyl)phenyl]-2-quinolinecarboxamide
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
C16H21N5O3 (331.16443160000006)
1-tert-butyl-3-(naphthalen-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]quinazolin-4(1H)-one
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-azepin-7-one
1-Tert-butyl-5-[(4-ethoxyanilino)methylidene]-1,3-diazinane-2,4,6-trione
C17H21N3O4 (331.15319860000005)
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
1,7,7-trimethyl-N-(4-nitrophenyl)-2-oxo-4-bicyclo[2.2.1]heptanecarbohydrazide
C17H21N3O4 (331.15319860000005)
5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate
C20H27O4- (331.19092420000004)
An epoxy hydroxyeicosapentaenoate anion arising from deprotonation of the carboxylic acid function of 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoic acid; major species at pH 7.3.
6-[2-(1-azepanyl)-2-oxoethoxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
C20H27O4- (331.19092420000004)
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate
C20H27O4- (331.19092420000004)
(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate
C20H27O4- (331.19092420000004)
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oate
C20H27O4- (331.19092420000004)
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride
C16H26ClNO4 (331.15502660000004)
4-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-2-(hydroxymethyl)phenol
N-{5-ethyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oate
C20H27O4- (331.19092420000004)
(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
C20H27O4- (331.19092420000004)
Delta(12)-prostaglandin J3(1-)
C20H27O4- (331.19092420000004)
A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxodecanoate
(9R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxodecanoate
2,5-Dihydroxy-4-(2-hydroxyphenyl)-5-(methylamino)-3-phenylpentanoic acid
N(2)-[4-(indol-3-yl)butanoyl]-L-glutamine
C17H21N3O4 (331.15319860000005)
(2S)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpiperidine-1-carboxamide
2-[2-[(2-Acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
2-(2-Hydroxyethoxy)-N-(2-diethylaminoethyl)-4-quinolinecarboxamide
Ethyl (4R*,5R*)-(E)-5-(carbamoyl)oxy-4-(triethylsilyl)oxy-2-hexenoate
2-Trimethylsilyloxy-N-(2-(ethylamino)ethyl)-4-quinolinecarboxamide
C17H25N3O2Si (331.17159499999997)
Methyl (4S,5S)-(Z)-5-(carbamoyl)oxy-4-(triethylsilyl)oxy-3-methyl-2-hexenoate
2-(3-Hydroxybutoxy)-N-[2-(ethylamino)ethyl]-4-quinolinecarboxamide
2-(3-Hydroxybutoxy)-N-(2-(dimethylamino)ethyl)-4-quinolinecarboxamide
Tetramethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
prostaglandin A3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin A3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Salmefamol
prostaglandin J3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
sordaricin(1-)
A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin B3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate
A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate in which the 12-hydroxy group has S-configuration.
Acid Ceramidase-IN-1
Acid Ceramidase-IN-1 is a potent and oral bioavailable acid ceramidase (AC, ASAH-1) inhibitor (hAC IC50=0.166 μM). Acid Ceramidase-IN-1 has excellent brain penetration in mice[1].
BRL-44408 (maleate)
C17H21N3O4 (331.15319860000005)
BRL-44408 maleate is an α2A-adrenoceptor antagonist (Ki: 8.5 nM). BRL-44408 maleate has antidepressant and analgesic activity. BRL-44408 also improves cecal ligation puncture (CLP)-induced acute lung injury[1][2].
(1s,13s,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole
2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(3r)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(2z,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(14s,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
(1s,8s,10r,17s)-4,5,8-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraene
[(1s)-1-[5-(1h-indol-3-yl)-1,3-oxazol-2-yl]-2-phenylethyl]dimethylamine
6-methoxy-6-methyl-1-[4-(4-methyl-5-oxofuran-2-ylidene)butyl]-2h,3h,4h,7h-cyclopenta[b]pyridin-5-one
(3s,6e)-8-[(2-hydroxyquinolin-4-yl)oxy]-2,6-dimethyloct-6-ene-2,3-diol
(1s,16r,17r)-5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4,16-diol
3-hydroxy-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-8-methyltrideca-4,6,8,10-tetraenimidic acid
5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-triene-4,8-diol
2-epierythratidine
{"Ingredient_id": "HBIN005581","Ingredient_name": "2-epierythratidine","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "NA","Ingredient_weight": "331.41","OB_score": "NA","CAS_id": "41431-23-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8661","PubChem_id": "NA","DrugBank_id": "NA"}
3r*,4r*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
{"Ingredient_id": "HBIN009518","Ingredient_name": "3r*,4r*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "CC(C)CC1C(C(=O)N(C1=O)O)C2=CC=C(C=C2)OCC=C(C)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10233","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "139583762","DrugBank_id": "NA"}
3r*,4s*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
{"Ingredient_id": "HBIN009530","Ingredient_name": "3r*,4s*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "CC(C)CC1C(C(=O)N(C1=O)O)C2=CC=C(C=C2)OCC=C(C)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10234","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10336811","DrugBank_id": "NA"}
bicyclomahanimbicine
{"Ingredient_id": "HBIN018471","Ingredient_name": "bicyclomahanimbicine","Alias": "NA","Ingredient_formula": "C23H25NO","Ingredient_Smile": "CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C5C6C(C5(C)C)CCC6(O4)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2354","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102235879","DrugBank_id": "NA"}
(6s)-6-methoxy-6-methyl-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}-2h,3h,4h,7h-cyclopenta[b]pyridin-5-one
(3r,4s)-1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrolidine-2,5-dione
[3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate
(4z,6e,8e,10e)-3-hydroxy-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-8-methyltrideca-4,6,8,10-tetraenimidic acid
(1s,16r,17r)-4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-5,16-diol
(1s,12s,14s)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17)-trien-14-yl acetate
3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrolidine-2,5-dione
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(acetyloxy)-2-phenylpropanoate
methyl 8-(acetyloxy)-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,4-diene-4-carboxylate
(3s)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole
(14s,17r,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
6-[(1r,2s,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-[(2-hydroxyethyl)amino]-2-oxopyran-3-carbaldehyde
4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-5,16-diol
4,5,8-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraene
(1s,17s)-5,6-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraene-4,17-diol
2-[(2-{[2,6-diamino-1-hydroxy-6-(c-hydroxycarbonimidoyl)hexylidene]amino}-1-hydroxypropylidene)amino]propanoic acid
13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene
(1r,4s,13r,14s)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.1¹,⁴.0²,¹¹.0³,⁸]octadeca-2(11),3(8),9-trien-14-ol
(s)-[(1r,2s,3r,5s)-3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate
7,8,11-trimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinolin-12-ol
(1s,16s,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene
(3r,6r)-3-(1h-indol-3-ylmethyl)-6-isopropyl-6-methoxypyrazine-2,3,5-triol
C17H21N3O4 (331.15319860000005)
8,16-dimethyl-19-(prop-1-en-2-yl)-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene
(14r,17s,19s)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
(6s)-6-methoxy-6-methyl-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}-2h,3h,4h,7h-cyclopenta[b]pyridin-5-one
(1r,16r,19s,21r)-13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁹,²¹]henicosa-2(14),3(11),5(10),6,8,12-hexaene
(4e,6e,8e,10e)-3-hydroxy-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-8-methyltrideca-4,6,8,10-tetraenimidic acid
(9bs,11r,12r)-7,8,11-trimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinolin-12-ol
(5r)-1,5-dihydroxy-4-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-(2-methylpropyl)-5h-pyrrol-2-one
(4r,5r,14r)-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-triene-4,8-diol
(3r)-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
1-[(1r)-1-(dimethylamino)-2-phenylethyl]-9h-pyrido[3,4-b]indol-6-ol
(1s,3s,4's)-11'-hydroxy-3,10'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-trien-4-one
(3r)-3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole
4-[(2-hydroxyethyl)amino]-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde
(3s)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(1r,3s,4's)-11'-hydroxy-3,10'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-trien-4-one
(1s,16s,17r)-4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-5,16-diol
6,7-dihydroxy-2,6,10-trimethyl-12-oxo-12-(1h-pyrrol-2-yl)dodeca-2,8,10-trienal
7'-hydroxy-3,9'-dimethoxy-3'-methyl-11'-azaspiro[cyclohexane-1,6'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),7',9'-trien-4-one
(1r,8r,10s,17r)-4,5,8-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraene
(1r,12s)-4,5,8,12-tetramethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene
11'-hydroxy-3,10'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),8'(12'),9'-trien-4-one
methyl (1s,6r,8s,9s)-8-(acetyloxy)-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,4-diene-4-carboxylate
(2e,8e,10z)-6,7-dihydroxy-2,6,10-trimethyl-12-oxo-12-(1h-pyrrol-2-yl)dodeca-2,8,10-trienal
(3s)-8-[(2-hydroxyquinolin-4-yl)oxy]-2,6-dimethyloct-6-ene-2,3-diol
(1s,4s,5s,14r)-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-triene-4,8-diol
5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4,16-diol
1,5-dihydroxy-4-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-(2-methylpropyl)-5h-pyrrol-2-one
6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-[(2-hydroxyethyl)amino]-2-oxopyran-3-carbaldehyde
(3r,4r)-1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrolidine-2,5-dione
(14r,17s,19s)-8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
(3s,4r)-1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrolidine-2,5-dione
3-(1h-indol-3-ylmethyl)-6-isopropyl-6-methoxypyrazine-2,3,5-triol
C17H21N3O4 (331.15319860000005)