Exact Mass: 285.1939982

Exact Mass Matches: 285.1939982

Found 328 metabolites which its exact mass value is equals to given mass value 285.1939982, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mepyramine

N-[(4-Methoxyphenyl)methyl]-n,n-dimethyl-N-2-pyridinyl-1,2-ethanediamine

C17H23N3O (285.1841028)


Mepyramine (also known as pyrilamine) is a first generation antihistamine, targeting the H1 receptor. However, it rapidly permeates the brain and so often causes drowsiness as a side effect. It is used in over-the-counter combination products for colds and menstrual symptoms. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 3006 D018926 - Anti-Allergic Agents

   

Pentazocine

(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-4-ol

C19H27NO (285.2092532)


Pentazocine is only found in individuals that have used or taken this drug. It is the first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Leu-Gly-Pro

SCHEMBL10883746

C13H23N3O4 (285.1688478)


   

Isococculidine

Isococculidine; Erythrinan, 1,2-didehydro-3,15-dimethoxy-, (3-beta)-

C18H23NO2 (285.1728698)


   

Alprenolol hydrochloride

Alprenolol hydrochloride

C15H24ClNO2 (285.14954739999996)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Alprenolol ((RS)-Alprenolol; dl-Alprenolol) hydrochloride is an orally active non-selective β-adrenoceptor antagonist and an antagonist of 5-HT1A and 5-HT1B receptors. Alprenolol hydrochloride is used as an anti-hypertensive, anti-anginal and anti-arrhythmic agent[1][2][3].

   

2-Propen-1-one, 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-

2-Propen-1-one, 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-

C15H19N5O (285.1589524)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C308 - Immunotherapeutic Agent

   

1-Methyl-2-nonyl-4(1H)-quinolinone

1-Methyl-2-nonyl-4(1H)-quinolinone; 1-Methyl-2-n-nonyl-4(1H) quinolone; 1-Methyl-2-nonyl-4(1H)-quinolone

C19H27NO (285.2092532)


1-Methyl-2-nonyl-4(1H)-quinolinone is a member of quinolines. 1-Methyl-2-nonylquinolin-4(1H)-one is a natural product found in Raulinoa echinata, Tetradium ruticarpum, and other organisms with data available. 1-Methyl-2-nonyl-4(1H)-quinolinone is found in herbs and spices. 1-Methyl-2-nonyl-4(1H)-quinolinone is an alkaloid from Ruta graveolens (rue

   

Myristoylglycine

N-Myristoylglycine, potassium salt

C16H31NO3 (285.2303816)


Myristoylglycine is an acylglycine with C-14 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. Myristoylglycine is an acylglycine with C-14 fatty acid group as the acyl moiety.

   

2-Octenoylcarnitine

(3S)-3-[(2E)-Oct-2-enoyloxy]-4-(trimethylammonio)butanoic acid

C15H27NO4 (285.1939982)


2-Octenoylcarnitine is an acylcarnitine. More specifically, it is an 2-octenoic 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-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-octenoylcarnitine 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].

   

N-Monodesmethyl-rizatriptan

3-[2-(dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol

C15H19N5O (285.1589524)


N-Monodesmethyl-rizatriptan is a metabolite of rizatriptan. Rizatriptan (Maxalt) is a 5-HT1 agonist triptan drug developed by Merck & Co. for the treatment of migraine headaches. It is available in strengths of 5 and 10 mg as tablets and orally disintegrating tablets (Maxalt-MLT). Maxalt obtained approval by the United States Food and Drug Administration (FDA) on June 29, 1998. It is a second-generation triptan. Rizatriptan is available only by prescription in Australia, the United States, Canada and New Zealand. (Wikipedia)

   

Octenoyl-L-carnitine

3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]undec-5-enoate

C15H27NO4 (285.1939982)


Octenoyl-L-carnitine is an acylcarnitine. More specifically, it is an octenoic 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. Octenoyl-L-carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Octenoyl-L-carnitine 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].

   

(2E)-Octenoylcarnitine

3-[(2E)-Oct-2-enoyloxy]-4-(trimethylammonio)butanoic acid

C15H27NO4 (285.1939982)


(2E)-Octenoylcarnitine is an acylcarnitine. More specifically, it is an (2E)-Octenoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-Octenoylcarnitine 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].

   

3-Octenoylcarnitine

3-(oct-3-enoyloxy)-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


3-Octenoylcarnitine is an acylcarnitine. More specifically, it is an oct-3-enoic 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-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Octenoylcarnitine 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-Octenoylcarnitine

3-(oct-6-enoyloxy)-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


6-Octenoylcarnitine is an acylcarnitine. More specifically, it is an oct-6-enoic 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-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Octenoylcarnitine 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-Octenoylcarnitine

3-(oct-4-enoyloxy)-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


4-Octenoylcarnitine is an acylcarnitine. More specifically, it is an oct-4-enoic 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. 4-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Octenoylcarnitine 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-Octenoylcarnitine

3-(oct-5-enoyloxy)-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


5-Octenoylcarnitine is an acylcarnitine. More specifically, it is an oct-5-enoic 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-Octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Octenoylcarnitine 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-Propylpent-4-enoylcarnitine

3-[(2-propylpent-4-enoyl)oxy]-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


2-Propylpent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an 2-propylpent-4-enoic 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-Propylpent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Propylpent-4-enoylcarnitine 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].

   

(2E)-2-Propylpent-2-enoylcarnitine

3-[(2-propylpent-2-enoyl)oxy]-4-(trimethylazaniumyl)butanoate

C15H27NO4 (285.1939982)


(2E)-2-Propylpent-2-enoylcarnitine is an acylcarnitine. More specifically, it is an (2E)-2-propylpent-2-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-2-Propylpent-2-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-2-Propylpent-2-enoylcarnitine 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].

   

(3Z)-2-Propylpent-3-enoylcarnitine

3-[(2-Propylpent-3-enoyl)oxy]-4-(trimethylazaniumyl)butanoic acid

C15H27NO4 (285.1939982)


(3Z)-2-Propylpent-3-enoylcarnitine is an acylcarnitine. More specifically, it is an (3Z)-2-propylpent-3-enoic 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. (3Z)-2-Propylpent-3-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3Z)-2-Propylpent-3-enoylcarnitine 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].

   

(1R,9S)-10-(Cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one

(1R,9S)-10-(Cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one

C18H23NO2 (285.1728698)


   

(+)-Pentazocine

1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol

C19H27NO (285.2092532)


   

1-Tert-butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

1-Tert-butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylic acid

C14H23NO5 (285.1576148)


   

Pirotiodecane

1-[2-(Decylsulphanyl)ethyl]pyrrolidin-2-one

C16H31NOS (285.2126236)


   

5-(4-Methylphenyl)-7-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-4-amine

5-(4-Methylphenyl)-7-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-4-amine

C16H23N5 (285.1953358)


   

Trachelanthamine

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids (2S,3R)-((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate is a natural product found in Eupatorium cannabinum, Trachelanthus korolkowii, and other organisms with data available.

   
   
   
   

14-methyl-2-pentadecenethioamide S-oxide

14-methyl-2-pentadecenethioamide S-oxide

C16H31NOS (285.2126236)


   
   

1-(benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol

1-(benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol

C18H23NO2 (285.1728698)


   
   

(-)-histrionicotoxin 285C|(?)-histrionicotoxin 285C|allodihydrohistrionicotoxin

(-)-histrionicotoxin 285C|(?)-histrionicotoxin 285C|allodihydrohistrionicotoxin

C19H27NO (285.2092532)


   

2-Decyl-1H-quinolin-4-one

2-Decyl-1H-quinolin-4-one

C19H27NO (285.2092532)


   

8-Aza-D-homo-oestron

8-Aza-D-homo-oestron

C18H23NO2 (285.1728698)


   
   

3-Methyl-2-nonyl-1H-quinolin-4-one

3-Methyl-2-nonyl-1H-quinolin-4-one

C19H27NO (285.2092532)


   
   
   
   

3,6-Di-(2,3-epoxy-3-methylbutyl)-indol|ent-3,6-hexalobine C

3,6-Di-(2,3-epoxy-3-methylbutyl)-indol|ent-3,6-hexalobine C

C18H23NO2 (285.1728698)


   

2,4,10-Tetradecatrien-8-ynoic acid piperidide

2,4,10-Tetradecatrien-8-ynoic acid piperidide

C19H27NO (285.2092532)


   
   
   

(2R,3S)-2-acetamido-3-acetoxydodecane|clavaminol I

(2R,3S)-2-acetamido-3-acetoxydodecane|clavaminol I

C16H31NO3 (285.2303816)


   
   

(2E,9Z)-N-isobutylpentadeca-2,9-diene-12,14-diynamide|2,9-Pentadecadiene-12,14-diynoic acid isobutylamide|pentadeca-2E,9Z-dien-12,14-diynoic acid isobutylamide|pentadeca-2E,9Z-diene-12,14-diynoic acid isobutylamide|pentadeca-2t,9c-dien-12,14-diynoic acid isobutylamide

(2E,9Z)-N-isobutylpentadeca-2,9-diene-12,14-diynamide|2,9-Pentadecadiene-12,14-diynoic acid isobutylamide|pentadeca-2E,9Z-dien-12,14-diynoic acid isobutylamide|pentadeca-2E,9Z-diene-12,14-diynoic acid isobutylamide|pentadeca-2t,9c-dien-12,14-diynoic acid isobutylamide

C19H27NO (285.2092532)


   

3,6-(E)-hexalobine E

3,6-(E)-hexalobine E

C18H23NO2 (285.1728698)


   
   

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-3-methyl-2-butenamide

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-3-methyl-2-butenamide

C18H23NO2 (285.1728698)


   

Oxime-8alpha-Estrone,INN

Oxime-8alpha-Estrone,INN

C18H23NO2 (285.1728698)


   

PSN375963

4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-pyridine

C17H23N3O (285.1841028)


   
   
   
   
   
   
   
   

pyrilamine

PYR_286.1915_11.5

C17H23N3O (285.1841028)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1700

   

1-methyl-2-nonylquinolin-4-one

NCGC00385599-01!1-methyl-2-nonylquinolin-4-one

C19H27NO (285.2092532)


   

Pentazocine

(R)-Pentazocine

C19H27NO (285.2092532)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Viridiflorine

Viridiflorine

C15H27NO4 (285.1939982)


Annotation level-1

   

1-methyl-2-nonylquinolin-4-one [IIN-based on: CCMSLIB00000845108]

NCGC00385599-01!1-methyl-2-nonylquinolin-4-one [IIN-based on: CCMSLIB00000845108]

C19H27NO (285.2092532)


   

1-methyl-2-nonylquinolin-4-one [IIN-based: Match]

NCGC00385599-01!1-methyl-2-nonylquinolin-4-one [IIN-based: Match]

C19H27NO (285.2092532)


   
   

trans-2-Octenoyl-carnitine; AIF; CE0; CorrDec

trans-2-Octenoyl-carnitine; AIF; CE0; CorrDec

C15H27NO4 (285.1939982)


   

trans-2-Octenoyl-carnitine; AIF; CE10; CorrDec

trans-2-Octenoyl-carnitine; AIF; CE10; CorrDec

C15H27NO4 (285.1939982)


   

trans-2-Octenoyl-carnitine; AIF; CE30; CorrDec

trans-2-Octenoyl-carnitine; AIF; CE30; CorrDec

C15H27NO4 (285.1939982)


   

trans-2-Octenoyl-carnitine; AIF; CE0; MS2Dec

trans-2-Octenoyl-carnitine; AIF; CE0; MS2Dec

C15H27NO4 (285.1939982)


   

trans-2-Octenoyl-carnitine; AIF; CE10; MS2Dec

trans-2-Octenoyl-carnitine; AIF; CE10; MS2Dec

C15H27NO4 (285.1939982)


   

trans-2-Octenoyl-carnitine; AIF; CE30; MS2Dec

trans-2-Octenoyl-carnitine; AIF; CE30; MS2Dec

C15H27NO4 (285.1939982)


   

Octenoyl-carnitine; LC-tDDA; CE10

Octenoyl-carnitine; LC-tDDA; CE10

C15H27NO4 (285.1939982)


   

Octenoyl-carnitine; LC-tDDA; CE20

Octenoyl-carnitine; LC-tDDA; CE20

C15H27NO4 (285.1939982)


   

Octenoyl-carnitine; LC-tDDA; CE30

Octenoyl-carnitine; LC-tDDA; CE30

C15H27NO4 (285.1939982)


   

Octenoyl-carnitine; LC-tDDA; CE40

Octenoyl-carnitine; LC-tDDA; CE40

C15H27NO4 (285.1939982)


   

6-decanamidohexanoic acid

6-decanamidohexanoic acid

C16H31NO3 (285.2303816)


   
   

Hydroxybifemelane (M2)

Hydroxybifemelane (M2)

C18H23NO2 (285.1728698)


   

3-[[2-(dimethylamino)ethoxy](2-methylphenyl)methyl]-Phenol

3-[[2-(dimethylamino)ethoxy](2-methylphenyl)methyl]-Phenol

C18H23NO2 (285.1728698)


   

p-Cresol, a-[2-(dimethylamino)ethoxy]-a-o-tolyl-

p-Cresol, a-[2-(dimethylamino)ethoxy]-a-o-tolyl-

C18H23NO2 (285.1728698)


   

3-[[2-(dimethylamino)ethoxy]phenylmethyl]-4-methyl-Phenol

3-[[2-(dimethylamino)ethoxy]phenylmethyl]-4-methyl-Phenol

C18H23NO2 (285.1728698)


   

Orphenadrine N-oxide

Orphenadrine N-oxide

C18H23NO2 (285.1728698)


   
   
   
   
   
   
   
   
   
   
   
   
   
   

(2S,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

(2S,6R,7S,8S)-7-((E)-buta-1,3-dien-1-yl)-2-((E)-pent-2-en-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-7-((E)-buta-1,3-dien-1-yl)-2-((E)-pent-2-en-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

(2R,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-(pent-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2R,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-(pent-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

(2S,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-((E)-penta-2,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-7-((E)-but-1-en-3-yn-1-yl)-2-((E)-penta-2,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   
   

1-methyl-2-nonyl-4(1h)-quinolinone

1-methyl-2-nonyl-1,4-dihydroquinolin-4-one

C19H27NO (285.2092532)


   

CAR 8:1

(3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylammonio)butanoate;(E)-2-octenoyl-L-carnitine;2-octenoylcarnitine

C15H27NO4 (285.1939982)


   

(S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester

(S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester

C14H23NO5 (285.1576148)


   

1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride

1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride

C15H24ClNO2 (285.14954739999996)


   

TERT-BUTYL 2-((TERT-BUTOXYCARBONYL)AMINO)HEX-5-ENOATE

TERT-BUTYL 2-((TERT-BUTOXYCARBONYL)AMINO)HEX-5-ENOATE

C15H27NO4 (285.1939982)


   

1-Benzyl-1,2-dimethyl-1H-benzo[e]indole

1-Benzyl-1,2-dimethyl-1H-benzo[e]indole

C21H19N (285.15174140000005)


   

N,N,N-Tripropyl-1-propanaminium perchlorate

N,N,N-Tripropyl-1-propanaminium perchlorate

C12H28ClNO4 (285.1706758)


   

3-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C14H23NO5 (285.1576148)


   

(R)-2-Pyrrolidineboronic acid pinanediol ester hydrochloride

(R)-2-Pyrrolidineboronic acid pinanediol ester hydrochloride

C14H25BClNO2 (285.166677)


   

3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol,hydrochloride

3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol,hydrochloride

C15H24ClNO2 (285.14954739999996)


   

1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

C14H23NO5 (285.1576148)


   
   

medrylamine

medrylamine

C18H23NO2 (285.1728698)


C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   
   

ISOPROPYL 3-CYCLOPENTYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE

ISOPROPYL 3-CYCLOPENTYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE

C18H23NO2 (285.1728698)


   

1-BOC-2-[(2-DIMETHYLAMINO-ETHYLAMINO)-METHYL]-PIPERIDINE

1-BOC-2-[(2-DIMETHYLAMINO-ETHYLAMINO)-METHYL]-PIPERIDINE

C15H31N3O2 (285.2416146)


   

1-BOC-3-(2-MORPHOLIN-4-YL-ETHYLAMINO)-AZETIDINE

1-BOC-3-(2-MORPHOLIN-4-YL-ETHYLAMINO)-AZETIDINE

C14H27N3O3 (285.20523119999996)


   

2-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

2-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

C15H19N5O (285.1589524)


   

tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C15H27NO4 (285.1939982)


   
   

[2-(5-Cyano-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

[2-(5-Cyano-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

C16H19N3O2 (285.14771939999997)


   

N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

C15H20BN3O2 (285.164849)


   
   

2-(3-METHYL-1H-PYRAZOL-1-YL)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

2-(3-METHYL-1H-PYRAZOL-1-YL)-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

C15H20BN3O2 (285.164849)


   
   
   

ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

C14H23NO5 (285.1576148)


   

Ethyl [trans-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohe xyl]acetate

Ethyl [trans-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohe xyl]acetate

C15H27NO4 (285.1939982)


   

3-Methyl 1-(2-methyl-2-propanyl) 3-isopropyl-1,3-piperidinedicarb oxylate

3-Methyl 1-(2-methyl-2-propanyl) 3-isopropyl-1,3-piperidinedicarb oxylate

C15H27NO4 (285.1939982)


   

2-Oxa-7-azaspiro[4.5]decane-3,7-dicarboxylic acid7-tert-butyl ester

2-Oxa-7-azaspiro[4.5]decane-3,7-dicarboxylic acid7-tert-butyl ester

C14H23NO5 (285.1576148)


   

1-BENZYL-4-(3-FLUORO-PHENYL)-PIPERIDIN-4-OL

1-BENZYL-4-(3-FLUORO-PHENYL)-PIPERIDIN-4-OL

C18H20FNO (285.1528842)


   

1-O-tert-butyl 3-O-ethyl 4-oxoazepane-1,3-dicarboxylate

1-O-tert-butyl 3-O-ethyl 4-oxoazepane-1,3-dicarboxylate

C14H23NO5 (285.1576148)


   
   

PHENOL, 2-(1,1-DIMETHYLETHYL)-6-(1-METHYLETHYL)-4-(3-PYRIDAZINYLAMINO)-

PHENOL, 2-(1,1-DIMETHYLETHYL)-6-(1-METHYLETHYL)-4-(3-PYRIDAZINYLAMINO)-

C17H23N3O (285.1841028)


   
   

1-Benzyl-4-(4-fluorophenyl)-4-piperidinol

1-Benzyl-4-(4-fluorophenyl)-4-piperidinol

C18H20FNO (285.1528842)


   

Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate

Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate

C15H27NO4 (285.1939982)


   

1-Decyl-3-methylimidazolium nitrate

1-Decyl-3-methylimidazolium nitrate

C14H27N3O3 (285.20523119999996)


   

Piperazine, 1-[(3-formyl-1H-indol-1-yl)acetyl]-4-methyl- (9CI)

Piperazine, 1-[(3-formyl-1H-indol-1-yl)acetyl]-4-methyl- (9CI)

C16H19N3O2 (285.14771939999997)


   

ETHYL 5-(TERT-BUTYL)-2-METHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE

ETHYL 5-(TERT-BUTYL)-2-METHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE

C18H23NO2 (285.1728698)


   

(R)-2-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

(R)-2-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C14H23NO5 (285.1576148)


   

2H-1-Benzopyran-8-ol,3-(dipropylamino)-3,4-dihydro-,hydrochloride

2H-1-Benzopyran-8-ol,3-(dipropylamino)-3,4-dihydro-,hydrochloride

C15H24ClNO2 (285.14954739999996)


   

1-Boc-4-phenylethynyl-piperidine

1-Boc-4-phenylethynyl-piperidine

C18H23NO2 (285.1728698)


   

1-Benzyl-4-morpholinopiperidine-4-carbonitrile

1-Benzyl-4-morpholinopiperidine-4-carbonitrile

C17H23N3O (285.1841028)


   

4-METHYL-2-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE

4-METHYL-2-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE

C16H20BNO3 (285.15361600000006)


   

9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid

9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid

C14H23NO5 (285.1576148)


   

8-(Tert-Butoxycarbonyl)-1-Oxa-8-Azaspiro[4.5]Decane-2-Carboxylic Acid

8-(Tert-Butoxycarbonyl)-1-Oxa-8-Azaspiro[4.5]Decane-2-Carboxylic Acid

C14H23NO5 (285.1576148)


   

8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

C14H23NO5 (285.1576148)


   

1-[1-(1-Benzothiophen-2-yl)cyclohexyl]pyrrolidine

1-(1-(Benzo[b]thiophen-2-yl)cyclohexyl)pyrrolidine

C18H23NS (285.1551118)


   

N-benzyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine

N-benzyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine

C18H23NO2 (285.1728698)


   

tert-Butyl spiro[indene-1,4-piperidine]-1-carboxylate

tert-Butyl spiro[indene-1,4-piperidine]-1-carboxylate

C18H23NO2 (285.1728698)


   

Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate

Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate

C15H27NO4 (285.1939982)


   

1-TERT-BUTYL 3-METHYL 3-ETHYL-4-OXOPIPERIDINE-1,3-DICARBOXYLATE

1-TERT-BUTYL 3-METHYL 3-ETHYL-4-OXOPIPERIDINE-1,3-DICARBOXYLATE

C14H23NO5 (285.1576148)


   

(2R)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 1,2-bis(tert-butyl) ester

(2R)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 1,2-bis(tert-butyl) ester

C14H23NO5 (285.1576148)


   

4-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

4-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

C15H20BN3O2 (285.164849)


   

citral / methyl anthranilate schiffs base

citral / methyl anthranilate schiffs base

C18H23NO2 (285.1728698)


   

N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ethanamine

N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ethanamine

C17H23N3O (285.1841028)


   

ETHYL1-(TERT-BUTOXYCARBONYLAMINO)-4-OXOCYCLOHEXANECARBOXYLATE

ETHYL1-(TERT-BUTOXYCARBONYLAMINO)-4-OXOCYCLOHEXANECARBOXYLATE

C14H23NO5 (285.1576148)


   
   

3-Amino-1-propyl-5H-pyrido(4,3-b)indole acetate

3-Amino-1-propyl-5H-pyrido(4,3-b)indole acetate

C16H19N3O2 (285.14771939999997)


   

3-Amino-4-ethyl-1-methyl-5H-pyrido(4,3-b)indole acetate

3-Amino-4-ethyl-1-methyl-5H-pyrido(4,3-b)indole acetate

C16H19N3O2 (285.14771939999997)


   

(S)-BoroPro-(-)-Pinanediol-HCl

(S)-BoroPro-(-)-Pinanediol-HCl

C14H25BClNO2 (285.166677)


   
   
   

9,9-Dimethyl-N-phenyl-9H-fluoren-2-amine

9,9-Dimethyl-N-phenyl-9H-fluoren-2-amine

C21H19N (285.15174140000005)


   

N-prop-2-ynyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-prop-2-ynyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C16H20BNO3 (285.15361600000006)


   

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

C14H27N3O3 (285.20523119999996)


   

3-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

3-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

C15H20BN3O2 (285.164849)


   

2-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

2-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)METHYL)PYRIDINE

C15H20BN3O2 (285.164849)


   

(S)-TERT-BUTYL 3-(TERT-BUTYLCARBAMOYL)PIPERAZINE-1-CARBOXYLATE

(S)-TERT-BUTYL 3-(TERT-BUTYLCARBAMOYL)PIPERAZINE-1-CARBOXYLATE

C14H27N3O3 (285.20523119999996)


   

(-)-O-DESMETHYLTRAMADOL, HYDROCHLORIDE

(-)-O-DESMETHYLTRAMADOL, HYDROCHLORIDE

C15H24ClNO2 (285.14954739999996)


   

(R)-4-BOC-PIPERAZINE-2-CARBOXYL-T-BUTYLAMIDE

(R)-4-BOC-PIPERAZINE-2-CARBOXYL-T-BUTYLAMIDE

C14H27N3O3 (285.20523119999996)


   
   
   

6-Hydroxyrizatriptan

6-Hydroxyrizatriptan

C15H19N5O (285.1589524)


   

Prolyl-leucyl-glycine

Prolyl-leucyl-glycine

C13H23N3O4 (285.1688478)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   
   

(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

C13H23N3O4 (285.1688478)


   

2,4-Dimethyl-5-[(2-methylphenyl)hydrazinylidene]-3-pyrrolecarboxylic acid ethyl ester

2,4-Dimethyl-5-[(2-methylphenyl)hydrazinylidene]-3-pyrrolecarboxylic acid ethyl ester

C16H19N3O2 (285.14771939999997)


   

2-Octenoyl carnitine

2-Octenoyl carnitine

C15H27NO4 (285.1939982)


   
   

L-Valyl-L-prolyl-L-alanine

L-Valyl-L-prolyl-L-alanine

C13H23N3O4 (285.1688478)


   

L-Prolylglycyl-L-isoleucine

L-Prolylglycyl-L-isoleucine

C13H23N3O4 (285.1688478)


   

4-(9H-Fluoren-9-YL)-N,N-dimethylbenzenamine

4-(9H-Fluoren-9-YL)-N,N-dimethylbenzenamine

C21H19N (285.15174140000005)


   

(1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 2,3-dihydroxy-2-(propan-2-yl)butanoate

(1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 2,3-dihydroxy-2-(propan-2-yl)butanoate

C15H27NO4 (285.1939982)


   

6-(Decanoylamino)hexanoic acid

6-(Decanoylamino)hexanoic acid

C16H31NO3 (285.2303816)


   

(3-Endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-YL 1H-pyrrolo[2,3-B]pyridine-3-carboxylate

(3-Endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-YL 1H-pyrrolo[2,3-B]pyridine-3-carboxylate

C16H19N3O2 (285.14771939999997)


   

5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid

5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid

C16H31NO3 (285.2303816)


   
   

(hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate

(hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate

C15H27NO4 (285.1939982)


   

omega-Hydroxy-15-methylpalmitate

omega-Hydroxy-15-methylpalmitate

C17H33O3- (285.2429568)


A hydroxy fatty acid anion that is the conjugate base of omega-hydroxy-15-methyl-palmitic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   
   

2-Propylpent-4-enoylcarnitine

2-Propylpent-4-enoylcarnitine

C15H27NO4 (285.1939982)


   

3-Octenoylcarnitine

3-Octenoylcarnitine

C15H27NO4 (285.1939982)


   

(2e)-Octenoyl-carnitine

(2e)-Octenoyl-carnitine

C15H27NO4 (285.1939982)


   

6-Octenoylcarnitine

6-Octenoylcarnitine

C15H27NO4 (285.1939982)


   

4-Octenoylcarnitine

4-Octenoylcarnitine

C15H27NO4 (285.1939982)


   

5-Octenoylcarnitine

5-Octenoylcarnitine

C15H27NO4 (285.1939982)


   

(2E)-2-Propylpent-2-enoylcarnitine

(2E)-2-Propylpent-2-enoylcarnitine

C15H27NO4 (285.1939982)


   

(3Z)-2-Propylpent-3-enoylcarnitine

(3Z)-2-Propylpent-3-enoylcarnitine

C15H27NO4 (285.1939982)


   

N-Propionyl-N-(4,6,7-trimethyl-quinazolin-2-yl)-guanidine

N-Propionyl-N-(4,6,7-trimethyl-quinazolin-2-yl)-guanidine

C15H19N5O (285.1589524)


   

N-[4-(diethylamino)benzylidene]-2-furohydrazide

N-[4-(diethylamino)benzylidene]-2-furohydrazide

C16H19N3O2 (285.14771939999997)


   

[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate

[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate

C17H21N2O2+ (285.1602946)


   
   
   

9-oxo-N-(1-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide

9-oxo-N-(1-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide

C18H23NO2 (285.1728698)


   

(2,6-Dimethyl-phenoxy)-acetic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide

(2,6-Dimethyl-phenoxy)-acetic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide

C16H19N3O2 (285.14771939999997)


   

1-(2-Ethyl-3-benzofuranyl)-3-(1-piperidinyl)-1-propanone

1-(2-Ethyl-3-benzofuranyl)-3-(1-piperidinyl)-1-propanone

C18H23NO2 (285.1728698)


   

1-[2-(Prop-2-en-1-ylphenoxy)]-3-(isopropylamino)propan-2-ol hydrochloride

1-[2-(Prop-2-en-1-ylphenoxy)]-3-(isopropylamino)propan-2-ol hydrochloride

C15H24ClNO2 (285.14954739999996)


   

N,N-di(propan-2-yl)-2-[(1-propyl-5-tetrazolyl)thio]acetamide

N,N-di(propan-2-yl)-2-[(1-propyl-5-tetrazolyl)thio]acetamide

C12H23N5OS (285.1623228)


   
   

(E)-1-hydroxy-2-(non-1-en-1-yl)quinolin-4-one

(E)-1-hydroxy-2-(non-1-en-1-yl)quinolin-4-one

C18H23NO2 (285.1728698)


A hydroxylamine that is N-hydroxyquinolin-4-one in which the hydrogen at position 2 has been replaced by a (1E)-non-1-en-1-yl group. It is the most active agent produced by Pseudomonas aeruginosa that modulates the growth and virulence of Staphylococcus aureus; the corresponding Z isomer is inactive.

   
   
   
   
   
   
   
   
   
   

4-[Methyl-(phenylmethyl)amino]-1-phenylbutane-1,3-diol

4-[Methyl-(phenylmethyl)amino]-1-phenylbutane-1,3-diol

C18H23NO2 (285.1728698)


   
   
   

11-Oxomiltiradiene(1-)

11-Oxomiltiradiene(1-)

C20H29O- (285.2218284)


An organic anion that is the conjugate base of 11-oxomiltiradiene, arising from the deprotonation of the methylene group at position 14. Major species at pH 7.3.

   

(Z)-cyclopropyl-methoxymycolate

(Z)-cyclopropyl-methoxymycolate

C16H29O4- (285.2065734)


   

N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]acetamide

N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]acetamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxyoct-4-en-2-yl]octanamide

N-[(E)-1,3-dihydroxyoct-4-en-2-yl]octanamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxynon-4-en-2-yl]heptanamide

N-[(E)-1,3-dihydroxynon-4-en-2-yl]heptanamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxyundec-4-en-2-yl]pentanamide

N-[(E)-1,3-dihydroxyundec-4-en-2-yl]pentanamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxydec-4-en-2-yl]hexanamide

N-[(E)-1,3-dihydroxydec-4-en-2-yl]hexanamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxytridec-4-en-2-yl]propanamide

N-[(E)-1,3-dihydroxytridec-4-en-2-yl]propanamide

C16H31NO3 (285.2303816)


   

N-[(E)-1,3-dihydroxydodec-4-en-2-yl]butanamide

N-[(E)-1,3-dihydroxydodec-4-en-2-yl]butanamide

C16H31NO3 (285.2303816)


   

1-Octyl-2,2,6,6-tetramethyl-2,6-disilapiperidine

1-Octyl-2,2,6,6-tetramethyl-2,6-disilapiperidine

C15H35NSi2 (285.230791)


   

Talwin

Talwin

C19H27NO (285.2092532)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics

   

2-Octenoylcarnitine

2-Octenoylcarnitine

C15H27NO4 (285.1939982)


   

N-Myristoylglycine

N-Myristoylglycine

C16H31NO3 (285.2303816)


An N-acylglycine in which the acyl group is specified as myristoyl (tetradecanoyl).

   

(2E)-octenoylcarnitine

(2E)-octenoylcarnitine

C15H27NO4 (285.1939982)


An O-acylcarnitine having (2E)-octenoyl as the acyl substituent.

   

O-octenoylcarnitine

O-octenoylcarnitine

C15H27NO4 (285.1939982)


An O-acylcarnitine in which the acyl group specified is octenoyl.

   

Octenoyl-L-carnitine

Octenoyl-L-carnitine

C15H27NO4 (285.1939982)


An O-acyl-L-carnitine that is L-carnitine having a octenoyl group as the acyl substituent in which the position of the double bond is unspecified.

   

2-octenoyl-L-carnitine

2-octenoyl-L-carnitine

C15H27NO4 (285.1939982)


An octenoyl-Lcarnitine having 2-octenoyl as the acyl substituent.

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

(3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

(3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

C16H19N3O2 (285.14771939999997)


   

(2s,3s,4r)-3-methyl-2-[(1e,3e)-4-phenylbuta-1,3-dien-1-yl]piperidin-4-yl acetate

(2s,3s,4r)-3-methyl-2-[(1e,3e)-4-phenylbuta-1,3-dien-1-yl]piperidin-4-yl acetate

C18H23NO2 (285.1728698)


   

(1r,7ar)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

(1r,7ar)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

1-[(5s)-2,4-dihydroxy-5-isopropyl-5h-pyrrol-3-yl]-5-hydroxy-3-methoxyhexan-1-one

1-[(5s)-2,4-dihydroxy-5-isopropyl-5h-pyrrol-3-yl]-5-hydroxy-3-methoxyhexan-1-one

C14H23NO5 (285.1576148)


   

n-[(4s,5r,7s,9s)-7-ethyl-9-hydroxy-8,8-dimethyl-2-oxo-1,6-dioxaspiro[4.5]decan-4-yl]ethanimidic acid

n-[(4s,5r,7s,9s)-7-ethyl-9-hydroxy-8,8-dimethyl-2-oxo-1,6-dioxaspiro[4.5]decan-4-yl]ethanimidic acid

C14H23NO5 (285.1576148)


   

n-[(2r,3s)-3-(acetyloxy)dodecan-2-yl]ethanimidic acid

n-[(2r,3s)-3-(acetyloxy)dodecan-2-yl]ethanimidic acid

C16H31NO3 (285.2303816)


   

(9bs,11s)-8,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline

(9bs,11s)-8,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline

C18H23NO2 (285.1728698)


   

3,6-bis({[(2r)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

3,6-bis({[(2r)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

C18H23NO2 (285.1728698)


   

3,3-bis(but-3-en-1-yl)-4-methoxy-4h-quinolin-2-ol

3,3-bis(but-3-en-1-yl)-4-methoxy-4h-quinolin-2-ol

C18H23NO2 (285.1728698)


   

n-[2-(2,2-dimethylchromen-6-yl)ethyl]-3-methylbut-2-enimidic acid

n-[2-(2,2-dimethylchromen-6-yl)ethyl]-3-methylbut-2-enimidic acid

C18H23NO2 (285.1728698)


   

(2e,4e,10z)-1-(piperidin-1-yl)tetradeca-2,4,10-trien-8-yn-1-one

(2e,4e,10z)-1-(piperidin-1-yl)tetradeca-2,4,10-trien-8-yn-1-one

C19H27NO (285.2092532)


   

n-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynimidic acid

n-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynimidic acid

C19H27NO (285.2092532)


   

2-(nonan-8-one)-(1h)-4-quinolone

NA

C18H23NO2 (285.1728698)


{"Ingredient_id": "HBIN006129","Ingredient_name": "2-(nonan-8-one)-(1h)-4-quinolone","Alias": "NA","Ingredient_formula": "C18H23NO2","Ingredient_Smile": "COC1C2=CC=CC=C2NC(=O)C1(CCC=C)CCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1R,8R)-pyrrolizidin-1-yl]methyl ester

(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; 487-99-0; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(2S*,3R*),7abeta))-

C15H27NO4 (285.1939982)


{"Ingredient_id": "HBIN006594","Ingredient_name": "(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1R,8R)-pyrrolizidin-1-yl]methyl ester","Alias": "(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; 487-99-0; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(2S*,3R*),7abeta))-","Ingredient_formula": "C15H27NO4","Ingredient_Smile": "CC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O","Ingredient_weight": "285.38","OB_score": "18.84516742","CAS_id": "487-99-0","SymMap_id": "SMIT03157","TCMID_id": "NA","TCMSP_id": "MOL000599","TCM_ID_id": "NA","PubChem_id": "164622","DrugBank_id": "NA"}

   

3,3-dimethylallyl-4-methoxy-2-quinolone

NA

C18H23NO2 (285.1728698)


{"Ingredient_id": "HBIN007181","Ingredient_name": "3,3-dimethylallyl-4-methoxy-2-quinolone","Alias": "NA","Ingredient_formula": "C18H23NO2","Ingredient_Smile": "COC1C2=CC=CC=C2NC(=O)C1(CCC=C)CCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15154","TCMID_id": "6307","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-dimethylallyl-4-methoxy-2-quinolone

NA

C18H23NO2 (285.1728698)


{"Ingredient_id": "HBIN008441","Ingredient_name": "3-dimethylallyl-4-methoxy-2-quinolone","Alias": "NA","Ingredient_formula": "C18H23NO2","Ingredient_Smile": "COC1C2=CC=CC=C2NC(=O)C1(CCC=C)CCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25844","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e,9z)-n-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynimidic acid

(2e,9z)-n-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynimidic acid

C19H27NO (285.2092532)


   

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

(2s,6r,7s,8r)-7-[(1e)-buta-1,3-dien-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]-1-azaspiro[5.5]undecan-8-ol

(2s,6r,7s,8r)-7-[(1e)-buta-1,3-dien-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

(2s,3s)-n-[(1s)-1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-2-[(1-hydroxyethylidene)amino]-3-methylpentanimidic acid

(2s,3s)-n-[(1s)-1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-2-[(1-hydroxyethylidene)amino]-3-methylpentanimidic acid

C14H27N3O3 (285.20523119999996)


   

8,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline

8,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline

C18H23NO2 (285.1728698)


   

3,5-bis({[(2r)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

3,5-bis({[(2r)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

C18H23NO2 (285.1728698)


   

(2s,6r,7s,8s)-7-[(1z)-but-1-en-3-yn-1-yl]-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2s,6r,7s,8s)-7-[(1z)-but-1-en-3-yn-1-yl]-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

3-(1h-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol

3-(1h-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol

C16H19N3O2 (285.14771939999997)


   

n-[1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-2-[(1-hydroxyethylidene)amino]-3-methylpentanimidic acid

n-[1-(c-hydroxycarbonimidoyl)-3-methylbutyl]-2-[(1-hydroxyethylidene)amino]-3-methylpentanimidic acid

C14H27N3O3 (285.20523119999996)


   

n-methyl-n-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide

n-methyl-n-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide

C19H27NO (285.2092532)


   

(4e,7e)-7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

(4e,7e)-7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

C16H28ClNO (285.1859308)


   

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2,3-dihydroxy-2-isopropylbutanoate

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2,3-dihydroxy-2-isopropylbutanoate

C15H27NO4 (285.1939982)


   

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-2-yl)-2-methylbut-3-en-2-ol

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-2-yl)-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

7-(but-1-en-3-yn-1-yl)-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

7-(but-1-en-3-yn-1-yl)-2-(penta-3,4-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

3,6-bis({[(2s)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

3,6-bis({[(2s)-3,3-dimethyloxiran-2-yl]methyl})-1h-indole

C18H23NO2 (285.1728698)


   

3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-5-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-1h-indole

3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-5-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-1h-indole

C18H23NO2 (285.1728698)


   

3,5-bis[(3,3-dimethyloxiran-2-yl)methyl]-1h-indole

3,5-bis[(3,3-dimethyloxiran-2-yl)methyl]-1h-indole

C18H23NO2 (285.1728698)


   

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-6-yl}-2-methylbut-3-en-2-ol

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-6-yl}-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

(3s,6s)-3-(1h-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol

(3s,6s)-3-(1h-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol

C16H19N3O2 (285.14771939999997)


   

(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-5-yl}-2-methylbut-3-en-2-ol

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-5-yl}-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-5-yl)-2-methylbut-3-en-2-ol

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-5-yl)-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

C16H28ClNO (285.1859308)


   

(2s,3r,4s)-3-hydroxy-6-{[(2e)-1-hydroxy-2-methylpent-2-en-1-ylidene]amino}-2,4-dimethyl-5-oxohexanoic acid

(2s,3r,4s)-3-hydroxy-6-{[(2e)-1-hydroxy-2-methylpent-2-en-1-ylidene]amino}-2,4-dimethyl-5-oxohexanoic acid

C14H23NO5 (285.1576148)


   

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

(1s,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

3,6-bis[(3,3-dimethyloxiran-2-yl)methyl]-1h-indole

3,6-bis[(3,3-dimethyloxiran-2-yl)methyl]-1h-indole

C18H23NO2 (285.1728698)


   

(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

1-(piperidin-1-yl)tetradeca-2,4,10-trien-8-yn-1-one

1-(piperidin-1-yl)tetradeca-2,4,10-trien-8-yn-1-one

C19H27NO (285.2092532)


   

(1r,7ar)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

(1r,7ar)-hexahydro-1h-pyrrolizin-1-ylmethyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate

C15H27NO4 (285.1939982)


   

n-{7-ethyl-9-hydroxy-8,8-dimethyl-2-oxo-1,6-dioxaspiro[4.5]decan-4-yl}ethanimidic acid

n-{7-ethyl-9-hydroxy-8,8-dimethyl-2-oxo-1,6-dioxaspiro[4.5]decan-4-yl}ethanimidic acid

C14H23NO5 (285.1576148)


   

(2e,4e)-n-methyl-n-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide

(2e,4e)-n-methyl-n-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide

C19H27NO (285.2092532)


   
   

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-2-yl}-2-methylbut-3-en-2-ol

4-{3-[(3,3-dimethyloxiran-2-yl)methyl]-1h-indol-2-yl}-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

n-[3-(acetyloxy)dodecan-2-yl]ethanimidic acid

n-[3-(acetyloxy)dodecan-2-yl]ethanimidic acid

C16H31NO3 (285.2303816)


   

(2s,6r,7s,8r)-7-(buta-1,3-dien-1-yl)-2-(pent-2-en-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2s,6r,7s,8r)-7-(buta-1,3-dien-1-yl)-2-(pent-2-en-4-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

C19H27NO (285.2092532)


   

(3z)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-6-yl)-2-methylbut-3-en-2-ol

(3z)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-6-yl)-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-6-yl)-2-methylbut-3-en-2-ol

(3e)-4-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-1h-indol-6-yl)-2-methylbut-3-en-2-ol

C18H23NO2 (285.1728698)


   

(4e)-7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

(4e)-7-(chloromethylidene)-n-(3-methylbutyl)dec-4-enimidic acid

C16H28ClNO (285.1859308)


   

4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene

4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene

C18H23NO2 (285.1728698)


   

(9bs,11r,13as)-8,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinoline

(9bs,11r,13as)-8,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinoline

C18H23NO2 (285.1728698)


   

1-(2,4-dihydroxy-5-isopropyl-5h-pyrrol-3-yl)-5-hydroxy-3-methoxyhexan-1-one

1-(2,4-dihydroxy-5-isopropyl-5h-pyrrol-3-yl)-5-hydroxy-3-methoxyhexan-1-one

C14H23NO5 (285.1576148)


   

(2e,4e)-n-(3-methylbutyl)tetradeca-2,4-dien-8,10-diynimidic acid

(2e,4e)-n-(3-methylbutyl)tetradeca-2,4-dien-8,10-diynimidic acid

C19H27NO (285.2092532)


   

8,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinoline

8,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinoline

C18H23NO2 (285.1728698)


   

3-[hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

3-[hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

C16H19N3O2 (285.14771939999997)


   

2-(8-oxononyl)-1h-quinolin-4-one

2-(8-oxononyl)-1h-quinolin-4-one

C18H23NO2 (285.1728698)


   

(2e)-14-methyl-1-sulfinylidenepentadec-2-en-1-amine

(2e)-14-methyl-1-sulfinylidenepentadec-2-en-1-amine

C16H31NOS (285.2126236)