Exact Mass: 246.1791

Exact Mass Matches: 246.1791

Found 138 metabolites which its exact mass value is equals to given mass value 246.1791, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Mepivacaine

N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide

C15H22N2O (246.1732)


A local anesthetic that is chemically related to bupivacaine but pharmacologically related to lidocaine. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3126

   

5,6-Dehydrolupanine

5,6-Dehydro-alpha-isolupanine

C15H22N2O (246.1732)


   
   

Milnacipran

(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H22N2O (246.1732)


D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators

   

Milnacipran

(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H22N2O (246.1732)


Milnacipran is an antidepressant of the serotonin-norepinephrine reuptake inhibitor class. Milnacipran has been approved and sold in Austria since September 1998 under the brand name Ixel. Cypress Bioscience bought the exclusive rights for approval and marketing of the drug for any purpose in the US and Canada in 2003 from the manufacturer Pierre Fabre; the approval procedure in both countries is ongoing. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators

   

MG(10:0/0:0/0:0)

(2R)-2,3-Dihydroxypropyl decanoic acid

C13H26O4 (246.1831)


MG(10:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(10:0/0:0/0:0) is made up of one decanoyl(R1).

   

Valerylcarnitine

(3R)-3-(pentanoyloxy)-4-(trimethylazaniumyl)butanoate

C12H24NO4 (246.1705)


Valerylcarnitine is an acylcarnitine. More specifically, it is an valeric 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. Valerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine valerylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular valerylcarnitine is elevated in the blood or plasma of individuals with exudative age-related macular degeneration (PMID: 32120889), type 2 Diabetes Mellitus (PMID: 31782507, PMID: 20111019), obesity (PMID: 20111019), acute cerebral infarction (PMID: 29265114), diastolic heart failure (PMID: 26010610), systolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with pregnancy (PMID: 24704061 - in serum of pregnant women with fetus with CHD). Valerylcarnitine can also be found cerebrospinal fluid (CSF), and urine. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

   

MG(0:0/10:0/0:0)

1,3-dihydroxypropan-2-yl decanoate

C13H26O4 (246.1831)


MG(0:0/10:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/10:0/0:0) is made up of one decanoyl(R2).

   

5,6-Didehydrospartein-2-one

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

C15H22N2O (246.1732)


   

Levomilnacipran

2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H22N2O (246.1732)


D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators

   

Piquindone

3-Ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one

C15H22N2O (246.1732)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants

   

Quinelorane

6-Propyl-5,5a,6,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-2-amine

C14H22N4 (246.1844)


   

N,1-Dimethyl-N-(4-methylphenyl)piperidine-2-carboxamide

N,1-Dimethyl-N-(4-methylphenyl)piperidine-2-carboxamide

C15H22N2O (246.1732)


   

Sophocarpine

7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one

C15H22N2O (246.1732)


   

9-Nonylpurine

9-nonyl-9H-purine

C14H22N4 (246.1844)


   

1ST40360

(41S,7aS,13aR,13bR)-2,3,41,6,7,7a,8,13,13a,13b-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one hydrat

C15H22N2O (246.1732)


Sophocarpine is a natural product found in Daphniphyllum oldhamii, Sophora viciifolia, and other organisms with data available. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1].

   

Sophocarpine (monohydrate)

Sophocarpine (monohydrate)

C15H22N2O (246.1732)


   

11,12-Seco-12,13-didehydromultiflorine

11,12-Seco-12,13-didehydromultiflorine

C15H22N2O (246.1732)


   

11,12-Dehydrolupanine

1,12-Didehydrolupanine

C15H22N2O (246.1732)


   
   
   

(+)-Darvasine

(+)-Darvasine

C15H22N2O (246.1732)


   

Dehydroaphylline

Dehydroaphylline

C15H22N2O (246.1732)


   

Dehydrolupanine

Dehydrolupanine

C15H22N2O (246.1732)


   

(+)-5,6-Dehydrolupanine

(+)-5,6-Dehydrolupanine

C15H22N2O (246.1732)


   
   

5-Methoxy-N,N-diethyltryptamine

5-Methoxy-N,N-diethyltryptamine

C15H22N2O (246.1732)


   

SCHEMBL8989358

SCHEMBL8989358

C15H22N2O (246.1732)


   

Albertin|ent-7,11-didehydro-matridin-15-one|Leontalbinin

Albertin|ent-7,11-didehydro-matridin-15-one|Leontalbinin

C15H22N2O (246.1732)


   

4-allyl-3-methyl-1,2,3,4,5,6,11,11a-octahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-10-one|N-Methyl-albin|N-Methylalbin

4-allyl-3-methyl-1,2,3,4,5,6,11,11a-octahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-10-one|N-Methyl-albin|N-Methylalbin

C15H22N2O (246.1732)


   

(7R)-(14at)-3,4,7,9,10,11,13,14,14a-decahydro-2H-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-6-one|5,6-Dehydro-17-oxo-spartein|5,6-didehydro-17-oxosparteine|Delta5(6)-Dehydro-17-oxo-spartein|Delta5-Dehydro-17-oxo-spartein

(7R)-(14at)-3,4,7,9,10,11,13,14,14a-decahydro-2H-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-6-one|5,6-Dehydro-17-oxo-spartein|5,6-didehydro-17-oxosparteine|Delta5(6)-Dehydro-17-oxo-spartein|Delta5-Dehydro-17-oxo-spartein

C15H22N2O (246.1732)


   

Myristoyl chloride

Myristoyl chloride

C14H27ClO (246.175)


   

(+)-2,3-Dehydro-10-oxo-??-isosparteine

(+)-2,3-Dehydro-10-oxo-??-isosparteine

C15H22N2O (246.1732)


   

Nornicotine, N-hexanoyl

Nornicotine, N-hexanoyl

C15H22N2O (246.1732)


   

Dehydrovirgiboidine

Dehydrovirgiboidine

C15H22N2O (246.1732)


   

SCHEMBL21552019

SCHEMBL21552019

C13H26O4 (246.1831)


   

LMN cpd

(41S,7AS,13aR,13bS)-2,3,41,6,7,7a,8,11,13a,13b-decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one

C15H22N2O (246.1732)


Matridin-15-one, 12,13-didehydro- is a natural product found in Sophora flavescens and Sophora tonkinensis with data available.

   

SOPHOCARPINE

NCGC00160217-01!SOPHOCARPINE

C15H22N2O (246.1732)


   

mepivacaine

mepivacaine

C15H22N2O (246.1732)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Sophocarpine

Sophocarpine

C15H22N2O (246.1732)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2290 Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1].

   

9-BENZYL-1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE

9-BENZYL-1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE

C15H22N2O (246.1732)


   

Glyceryl monocaprate

2,3-Dihydroxypropyl decanoate

C13H26O4 (246.1831)


C78276 - Agent Affecting Digestive System or Metabolism

   

Hexaethyldisiloxane

Hexaethyldisiloxane

C12H30OSi2 (246.1835)


   

2-Phenyl-1-propylboronic acid pinacol ester

2-Phenyl-1-propylboronic acid pinacol ester

C15H23BO2 (246.1791)


   

ALUMINUM TERT-BUTANOLATE

ALUMINUM TERT-BUTANOLATE

C12H27AlO3 (246.1776)


   

(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone

(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone

C15H22N2O (246.1732)


   

1-(4-ETHYL-BENZYL)-PIPERAZINE

1-(4-ETHYL-BENZYL)-PIPERAZINE

C17H23F (246.1784)


   

N-Cyclohexyl-L-phenylalaninamide

N-Cyclohexyl-L-phenylalaninamide

C15H22N2O (246.1732)


   

N-METHYL-3-(1-PYRROLIDINYL)-1-PROPANAMINE

N-METHYL-3-(1-PYRROLIDINYL)-1-PROPANAMINE

C15H22N2O (246.1732)


   

N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine,oxolane-2,5-dione

N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine,oxolane-2,5-dione

C10H22N4O3 (246.1692)


   

[4-(trans-4-Propylcyclohexyl)phenyl]boronic acid

[4-(trans-4-Propylcyclohexyl)phenyl]boronic acid

C15H23BO2 (246.1791)


   

(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

C15H23BO2 (246.1791)


   

2-(2-Isopropylphenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

2-(2-Isopropylphenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

C15H23BO2 (246.1791)


   

3-(1-cyclopropylpiperidin-4-yl)-4-methoxyaniline

3-(1-cyclopropylpiperidin-4-yl)-4-methoxyaniline

C15H22N2O (246.1732)


   

tert-Butylperoxy-2-ethylhexylcarbonate

tert-Butylperoxy-2-ethylhexylcarbonate

C13H26O4 (246.1831)


   

(2R,5R)-(+)-2-TERT-BUTYL-3-METHYL-5-BENZYL-4-IMIDAZOLIDINONE

(2R,5R)-(+)-2-TERT-BUTYL-3-METHYL-5-BENZYL-4-IMIDAZOLIDINONE

C15H22N2O (246.1732)


   

4-Benzyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-Benzyl-1-oxa-4,9-diazaspiro[5.5]undecane

C15H22N2O (246.1732)


   

2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine,phenol

2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine,phenol

C15H22N2O (246.1732)


   

Dexivacaine

Dexivacaine

C15H22N2O (246.1732)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

N-(3-piperidin-1-ylpropyl)benzamide

N-(3-piperidin-1-ylpropyl)benzamide

C15H22N2O (246.1732)


   

3-Phenyl-1-propylboronic acid pinacol ester

3-Phenyl-1-propylboronic acid pinacol ester

C15H23BO2 (246.1791)


   

3-Isopropylphenylboronic acid, pinacol ester

3-Isopropylphenylboronic acid, pinacol ester

C15H23BO2 (246.1791)


   

2-(4-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(4-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C15H23BO2 (246.1791)


   

UNII:FE7IK35OPN

UNII:FE7IK35OPN

C12H27AlO3 (246.1776)


   

diisopropylsilyl ether

diisopropylsilyl ether

C12H30OSi2 (246.1835)


   

(4-Propylphenyl)boronic acid

(4-Propylphenyl)boronic acid

C15H23BO2 (246.1791)


   

4,4,5,5-Tetramethyl-2-(2,4,6-trimethylphenyl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(2,4,6-trimethylphenyl)-1,3,2-dioxaborolane

C15H23BO2 (246.1791)


   

5-Methoxy-N-methyl-N-(1-methylethyl)-1H-indole-3-ethanamine

5-Methoxy-N-methyl-N-(1-methylethyl)-1H-indole-3-ethanamine

C15H22N2O (246.1732)


   

3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1)

3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1)

C13H27ClN2 (246.1863)


   

4-(1-Benzyl-3-pyrrolidinyl)morpholine

4-(1-Benzyl-3-pyrrolidinyl)morpholine

C15H22N2O (246.1732)


   
   

aluminum n-butoxide

aluminum n-butoxide

C12H27AlO3 (246.1776)


   

Levomilnacipran

2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H22N2O (246.1732)


D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

Glyceryl 2-caprate

Glyceryl 2-caprate

C13H26O4 (246.1831)


   

Pivaloyl carnitine

Pivaloyl carnitine

C12H24NO4+ (246.1705)


   

Quinelorane

Quinelorane

C14H22N4 (246.1844)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist

   

N-Methylfentanyl

N-Methylfentanyl

C15H22N2O (246.1732)


   

1-Cyclohexyl-3-(2-phenylethyl)urea

1-Cyclohexyl-3-(2-phenylethyl)urea

C15H22N2O (246.1732)


   

Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-

Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-

C12H30OSi2 (246.1835)


   

MG(10:0/0:0/0:0)

(2R)-2,3-Dihydroxypropyl decanoic acid

C13H26O4 (246.1831)


MG(10:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(10:0/0:0/0:0) is made up of one decanoyl(R1).

   

Pentanoylcarnitine

Pentanoylcarnitine

C12H24NO4+ (246.1705)


   

3-(3-Methylbutyryloxy)-4-(trimethylaminio)butanoic acid

3-(3-Methylbutyryloxy)-4-(trimethylaminio)butanoic acid

C12H24NO4+ (246.1705)


   

3-Carboxylato-2-(2-methylbutyryloxy)-N,N,N-trimethyl-1-propaneaminium

3-Carboxylato-2-(2-methylbutyryloxy)-N,N,N-trimethyl-1-propaneaminium

C12H24NO4+ (246.1705)


   

1-Cyclohexyl-3-(2-ethylphenyl)urea

1-Cyclohexyl-3-(2-ethylphenyl)urea

C15H22N2O (246.1732)


   

1-Cyclohexyl-3-(3-ethylphenyl)urea

1-Cyclohexyl-3-(3-ethylphenyl)urea

C15H22N2O (246.1732)


   

5,6-Didehydrospartein-2-one

5,6-Didehydrospartein-2-one

C15H22N2O (246.1732)


   

[(2R)-3-carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium

[(2R)-3-carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium

C12H24NO4+ (246.1705)


   

[3-Carboxylato-2-(pentanoyloxy)propyl]trimethylaminium

[3-Carboxylato-2-(pentanoyloxy)propyl]trimethylaminium

C12H24NO4+ (246.1705)


   

1-Decanoyl-sn-glycerol

1-Decanoyl-sn-glycerol

C13H26O4 (246.1831)


   

2,3-Didehydrospartein-4-one

2,3-Didehydrospartein-4-one

C15H22N2O (246.1732)


   

(3R)-3,13-dihydroxytridecanoic acid

(3R)-3,13-dihydroxytridecanoic acid

C13H26O4 (246.1831)


A dihydroxy monocarboxylic acid that is 13-hydroxytridecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.

   

(3R,12R)-3,12-dihydroxytridecanoic acid

(3R,12R)-3,12-dihydroxytridecanoic acid

C13H26O4 (246.1831)


An (omega-1)-hydroxy fatty acid that is (12R)-12-hydroxytridecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.

   

[(2R)-3-carboxy-2-(2-methylbutanoyloxy)propyl]-trimethylazanium

[(2R)-3-carboxy-2-(2-methylbutanoyloxy)propyl]-trimethylazanium

C12H24NO4+ (246.1705)


   

[(2S)-3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium

[(2S)-3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium

C12H24NO4+ (246.1705)


   

[(2S)-3-carboxy-2-pentanoyloxypropyl]-trimethylazanium

[(2S)-3-carboxy-2-pentanoyloxypropyl]-trimethylazanium

C12H24NO4+ (246.1705)


   

[(2R)-3-carboxy-2-pentanoyloxypropyl]-tris(trideuteriomethyl)azanium

[(2R)-3-carboxy-2-pentanoyloxypropyl]-tris(trideuteriomethyl)azanium

C12H24NO4+ (246.1705)


   

(1-Hydroxy-3-octoxypropan-2-yl) acetate

(1-Hydroxy-3-octoxypropan-2-yl) acetate

C13H26O4 (246.1831)


   

Heptyl (3S)-3-hydroxy-5-methoxypentanoate

Heptyl (3S)-3-hydroxy-5-methoxypentanoate

C13H26O4 (246.1831)


   

3-Decanoyl-sn-glycerol

3-Decanoyl-sn-glycerol

C13H26O4 (246.1831)


   
   

(9s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

(9s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

C15H22N2O (246.1732)


   

2-(heptan-3-yl)-1,2-dihydroquinazolin-4-ol

2-(heptan-3-yl)-1,2-dihydroquinazolin-4-ol

C15H22N2O (246.1732)


   

(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

C15H22N2O (246.1732)


   

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

C15H22N2O (246.1732)


   

methyl 3,11-dihydroxydodecanoate

methyl 3,11-dihydroxydodecanoate

C13H26O4 (246.1831)


   

13,14-dehydrosophoridine

NA

C15H22N2O (246.1732)


{"Ingredient_id": "HBIN000997","Ingredient_name": "13,14-dehydrosophoridine","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "NA","Ingredient_weight": "246.35","OB_score": "65.34313997","CAS_id": "68398-59-4","SymMap_id": "SMIT08175","TCMID_id": "NA","TCMSP_id": "MOL006573","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(+)-2,3-dehydro-10-oxo-α-isosparteine

NA

C15H22N2O (246.1732)


{"Ingredient_id": "HBIN003955","Ingredient_name": "(+)-2,3-dehydro-10-oxo-\u03b1-isosparteine","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)C(=O)N4C3CCC=C4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(+)-7,11-dehydromatrine,(leontalbinine)

NA

C15H22N2O (246.1732)


{"Ingredient_id": "HBIN012861","Ingredient_name": "(+)-7,11-dehydromatrine,(leontalbinine)","Alias": "NA","Ingredient_formula": "C15H22N2O","Ingredient_Smile": "NA","Ingredient_weight": "246.35","OB_score": "62.08261476","CAS_id": "16665-57-9","SymMap_id": "SMIT08166","TCMID_id": "NA","TCMSP_id": "MOL006562","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

(1s,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

C15H22N2O (246.1732)


   

(1s,2r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

(1s,2r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

C15H22N2O (246.1732)


   

2-[(3r)-heptan-3-yl]-1,2-dihydroquinazolin-4-ol

2-[(3r)-heptan-3-yl]-1,2-dihydroquinazolin-4-ol

C15H22N2O (246.1732)


   

(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

C15H22N2O (246.1732)


   

(1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

(1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

C15H22N2O (246.1732)


   

(1r,9r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

(1r,9r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

C15H22N2O (246.1732)


   

(9r,17r)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

(9r,17r)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

C15H22N2O (246.1732)


   

2-[(3s)-heptan-3-yl]-1,2-dihydroquinazolin-4-ol

2-[(3s)-heptan-3-yl]-1,2-dihydroquinazolin-4-ol

C15H22N2O (246.1732)


   

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

C15H22N2O (246.1732)


   

(1r,2r,9s,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

(1r,2r,9s,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-4-one

C15H22N2O (246.1732)


   

(1s,2r,9s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

(1s,2r,9s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

C15H22N2O (246.1732)


   

methyl (3r,11r)-3,11-dihydroxydodecanoate

methyl (3r,11r)-3,11-dihydroxydodecanoate

C13H26O4 (246.1831)


   

(1r,2r,9s)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

(1r,2r,9s)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

C15H22N2O (246.1732)


   

(1r,9s,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

(1r,9s,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

C15H22N2O (246.1732)


   

(1r,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

(1r,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

C15H22N2O (246.1732)


   

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-8-en-6-one

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-8-en-6-one

C15H22N2O (246.1732)


   

(1s,2s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-8-en-6-one

(1s,2s,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-8-en-6-one

C15H22N2O (246.1732)


   

(1r,2r,9r,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one

(1r,2r,9r,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one

C15H22N2O (246.1732)


   

(1r,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

(1r,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-6-one

C15H22N2O (246.1732)


   

(1s,2r,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

(1s,2r,9r,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

C15H22N2O (246.1732)


   

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

C15H22N2O (246.1732)


   

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

C15H22N2O (246.1732)


   

(1s,2r,9r,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one

(1s,2r,9r,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-6-one

C15H22N2O (246.1732)


   

(1s,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

(1s,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-2-en-8-one

C15H22N2O (246.1732)


   

(1r,2r,9r,12s)-11-methyl-12-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

(1r,2r,9r,12s)-11-methyl-12-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

C15H22N2O (246.1732)


   

ethyl 9,9-dimethoxynonanoate

ethyl 9,9-dimethoxynonanoate

C13H26O4 (246.1831)


   

(1r,2r,9r,17r)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

(1r,2r,9r,17r)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-3-en-6-one

C15H22N2O (246.1732)


   

11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridec-5-en-4-one

C15H22N2O (246.1732)


   

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one

C15H22N2O (246.1732)


   

(1r,2r,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

(1r,2r,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-5-en-8-one

C15H22N2O (246.1732)