Exact Mass: 328.1787

Exact Mass Matches: 328.1787

Found 160 metabolites which its exact mass value is equals to given mass value 328.1787, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Labetalol

3-Carboxamido-4-hydroxy-alpha-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol

C19H24N2O3 (328.1787)


Labetalol is only found in individuals that have used or taken this drug. It is a blocker of both alpha- and beta-adrenergic receptors that is used as an antihypertensive (PubChem). Labetalol HCl combines both selective, competitive, alpha-1-adrenergic blocking and nonselective, competitive, beta-adrenergic blocking activity in a single substance. In man, the ratios of alpha- to beta- blockade have been estimated to be approximately 1:3 and 1:7 following oral and intravenous (IV) administration, respectively. The principal physiologic action of labetalol is to competitively block adrenergic stimulation of β-receptors within the myocardium (β1-receptors) and within bronchial and vascular smooth muscle (β2-receptors), and α1-receptors within vascular smooth muscle. This causes a decrease in systemic arterial blood pressure and systemic vascular resistance without a substantial reduction in resting heart rate, cardiac output, or stroke volume, apparently because of its combined α- and β-adrenergic blocking activity. CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7134; ORIGINAL_PRECURSOR_SCAN_NO 7131 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7100; ORIGINAL_PRECURSOR_SCAN_NO 7098 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7094; ORIGINAL_PRECURSOR_SCAN_NO 7091 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7132; ORIGINAL_PRECURSOR_SCAN_NO 7130 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3398; ORIGINAL_PRECURSOR_SCAN_NO 3397 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3392; ORIGINAL_PRECURSOR_SCAN_NO 3391 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3399 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7150; ORIGINAL_PRECURSOR_SCAN_NO 7149 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3395; ORIGINAL_PRECURSOR_SCAN_NO 3393 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3466; ORIGINAL_PRECURSOR_SCAN_NO 3465 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3405; ORIGINAL_PRECURSOR_SCAN_NO 3404 CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7142; ORIGINAL_PRECURSOR_SCAN_NO 7140 C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AG - Alpha and beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 2757 CONFIDENCE standard compound; INTERNAL_ID 8188 Labetalol (AH5158) is an orally active selective α1- and non-selective β-adrenergic receptors competitive antagonist. Labetalol, an anti-hypertensive agent, can be used for the research of cardiovascular disease, such as hypertension in pregnancy[1][2][3].

   

Steryl sulfate

Steryl sulfate

C17H28O4S (328.1708)


   

Compound V(S)

3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole

C19H24N2O3 (328.1787)


   

4-(3,5-Diphenylcyclohexyl)phenol

4-(3,5-Diphenylcyclohexyl)phenol

C24H24O (328.1827)


   

GELSEDINE

(Spiro(3H-indole-3,7(6H)-(3,) (6)methano(1H)oxepino(4,3-b)pyrrol)-2(1H)-one,) 2-ethyl-2,3,3a, 4,8,8a-hexahydro-1-methoxy-

C19H24N2O3 (328.1787)


   

Glycylprolylarginine

2-({[1-(2-aminoacetyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate

C13H24N6O4 (328.1859)


   

Benzamide, 3-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)butyl)-

4-(2-((3-(3-Benzenecarboxamide)-1-methylpropyl)amino)ethyl)-1,2-benzenediol

C19H24N2O3 (328.1787)


   
   

Spiculisporic_acid

2-(1-Carboxyundecyl)-5-oxotetrahydro-2-furancarboxylic acid #

C17H28O6 (328.1886)


   
   
   

Eiseniachloride B

Eiseniachloride B

C18H29ClO3 (328.1805)


   

Botryoloic acid

Botryoloic acid

C17H28O6 (328.1886)


   

Spiculisporic acid

Supiculisporic Acid

C17H28O6 (328.1886)


   

Maybridge3_002404

Maybridge3_002404

C19H24N2O3 (328.1787)


   

fusidilactone B

fusidilactone B

C17H28O6 (328.1886)


   

15-hydroxyisoneolaugerine

15-hydroxyisoneolaugerine

C19H24N2O3 (328.1787)


   
   

glomerulatine B

glomerulatine B

C21H20N4 (328.1688)


   
   

1beta,10beta(8,12)-diepoxy-7beta,11beta-dihydroxy-8beta,12alpha-dimethoxyeremophilane

1beta,10beta(8,12)-diepoxy-7beta,11beta-dihydroxy-8beta,12alpha-dimethoxyeremophilane

C17H28O6 (328.1886)


   

(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate|cytospolide P

(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate|cytospolide P

C17H28O6 (328.1886)


   

cytospolide I

cytospolide I

C17H28O6 (328.1886)


   

cytospolide J

cytospolide J

C17H28O6 (328.1886)


   

cytospolide G

cytospolide G

C17H28O6 (328.1886)


   

(-)-melohenine B|melodinine B

(-)-melohenine B|melodinine B

C19H24N2O3 (328.1787)


   

Aspidodispermine

Aspidodispermine

C19H24N2O3 (328.1787)


   

3beta-acetoxy-5alpha,11,12,13-tetrahydroxy-eudesm-4(15)-ene|3??-Acetoxy,5??,11,12,13-tetrahydroxy-eudesm-4(15)-ene

3beta-acetoxy-5alpha,11,12,13-tetrahydroxy-eudesm-4(15)-ene|3??-Acetoxy,5??,11,12,13-tetrahydroxy-eudesm-4(15)-ene

C17H28O6 (328.1886)


   

egregiachloride B

19,20-dinor-12R,13S-epoxy,16S-chloro-9Z-prostenoic acid cyclo-[11S,15R]

C18H29ClO3 (328.1805)


   

Glycylprolylarginine

Glycylprolylarginine

C13H24N6O4 (328.1859)


   
   
   
   
   
   

10-Hydroxydihydroperaksine

(1S,12S,13R,14S,15R,16S)-13,15-bis(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol

C19H24N2O3 (328.1787)


   

labetalol

labetalol

C19H24N2O3 (328.1787)


C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AG - Alpha and beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Labetalol (AH5158) is an orally active selective α1- and non-selective β-adrenergic receptors competitive antagonist. Labetalol, an anti-hypertensive agent, can be used for the research of cardiovascular disease, such as hypertension in pregnancy[1][2][3].

   

(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid

NCGC00180698-03!(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid

C17H28O6 (328.1886)


   

(2S)-2-[(1S)-1-carboxyundecyl]-5-oxotetrahydrofuran-2-carboxylic acid

(2S)-2-[(1S)-1-carboxyundecyl]-5-oxotetrahydrofuran-2-carboxylic acid

C17H28O6 (328.1886)


   

(2S)-2-[(1S)-1-carboxyundecyl]-5-oxotetrahydrofuran-2-carboxylic acid_major

(2S)-2-[(1S)-1-carboxyundecyl]-5-oxotetrahydrofuran-2-carboxylic acid_major

C17H28O6 (328.1886)


   

Ala Ala Ala Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]propanoyl]pyrrolidine-2-carboxylic acid

C14H24N4O5 (328.1747)


   

Ala Ala Pro Ala

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]propanoyl]pyrrolidin-2-yl]formamido}propanoic acid

C14H24N4O5 (328.1747)


   

Ala Pro Ala Ala

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}propanamido]propanoic acid

C14H24N4O5 (328.1747)


   

Gly Gly Pro Val

(2S)-2-{[(2S)-1-[2-(2-aminoacetamido)acetyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C14H24N4O5 (328.1747)


   

Gly Gly Val Pro

(2S)-1-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C14H24N4O5 (328.1747)


   

Gly Pro Gly Val

(2S)-2-(2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}acetamido)-3-methylbutanoic acid

C14H24N4O5 (328.1747)


   

Gly Pro Val Gly

2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-methylbutanamido]acetic acid

C14H24N4O5 (328.1747)


   

Gly Val Gly Pro

(2S)-1-{2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]acetyl}pyrrolidine-2-carboxylic acid

C14H24N4O5 (328.1747)


   

Gly Val Pro Gly

2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetic acid

C14H24N4O5 (328.1747)


   
   
   
   

Pro Ala Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid

C14H24N4O5 (328.1747)


   

Pro Gly Gly Val

(2S)-3-methyl-2-(2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}acetamido)butanoic acid

C14H24N4O5 (328.1747)


   

Pro Gly Val Gly

2-[(2S)-3-methyl-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanamido]acetic acid

C14H24N4O5 (328.1747)


   
   

Pro Val Gly Gly

2-{2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]acetamido}acetic acid

C14H24N4O5 (328.1747)


   
   
   
   
   
   

Val Gly Gly Pro

(2S)-1-(2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}acetyl)pyrrolidine-2-carboxylic acid

C14H24N4O5 (328.1747)


   

Val Gly Pro Gly

2-{[(2S)-1-{2-[(2S)-2-amino-3-methylbutanamido]acetyl}pyrrolidin-2-yl]formamido}acetic acid

C14H24N4O5 (328.1747)


   

Val Pro Gly Gly

2-(2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetamido)acetic acid

C14H24N4O5 (328.1747)


   

Canangalia C

(2E,6E,10R)-10-lactoxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid methyl ester

C17H28O6 (328.1886)


   

4-Benzyloxyphenylboronic acid pinacol ester

4-Benzyloxyphenylboronic acid pinacol ester

C19H25BO4 (328.1846)


   

4-((2-(4-AMINOPHENOXY)ETHYL)(BENZYL)AMINO)BUTANOIC ACID

4-((2-(4-AMINOPHENOXY)ETHYL)(BENZYL)AMINO)BUTANOIC ACID

C19H24N2O3 (328.1787)


   

4,4-Bis((2-hydroxyethyl)methylamino)benzophenone

4,4-Bis((2-hydroxyethyl)methylamino)benzophenone

C19H24N2O3 (328.1787)


   

Acrylic acid, butyl acrylate, isobutyl acrylate polymer

Acrylic acid, butyl acrylate, isobutyl acrylate polymer

C17H28O6 (328.1886)


   

N-(3-Boc-Aminomethylphenyl)-n-(4-methoxyphenyl)amine

N-(3-Boc-Aminomethylphenyl)-n-(4-methoxyphenyl)amine

C19H24N2O3 (328.1787)


   

TRIBUTYLMETHYLPHOSPHONIUM METHYL SULFATE

TRIBUTYLMETHYLPHOSPHONIUM METHYL SULFATE

C14H33O4PS (328.1837)


   

2-Methyl-6-phenyl-N-(2-phenylethyl)-5H-pyrrolo(3,2-d)pyrimidin-4-amine

2-Methyl-6-phenyl-N-(2-phenylethyl)-5H-pyrrolo(3,2-d)pyrimidin-4-amine

C21H20N4 (328.1688)


   

neopentyl glycol propoxylate diacrylate

neopentyl glycol propoxylate diacrylate

C17H28O6 (328.1886)


   

H-Ala-Ala-Pro-Ala-OH

H-Ala-Ala-Pro-Ala-OH

C14H24N4O5 (328.1747)


   

2-METHYL-1-(3-MORPHOLINOPROPYL)-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID

2-METHYL-1-(3-MORPHOLINOPROPYL)-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID

C19H24N2O3 (328.1787)


   

BnO-PEG5-OH

BnO-PEG5-OH

C17H28O6 (328.1886)


   

3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC ACID MONOETHYL ESTER

3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC ACID MONOETHYL ESTER

C17H29O4P (328.1803)


   

Serdemetan

Serdemetan

C21H20N4 (328.1688)


C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent D011838 - Radiation-Sensitizing Agents Serdemetan (JNJ-26854165) is a potent anticancer agent with radiosensitizing activity. Serdemetan exhibits antiproliferative activity in various p53 wild-type tumor cells. Serdemetan also antagonizes the Mdm2-HIF1α axis leading to decreased levels of glycolytic enzymes[1][2][3].

   

N-((1H-benzo[d][1,2,3]triazol-1-yl)Methyl)-N-benzyl-1-phenylmethanamine

N-((1H-benzo[d][1,2,3]triazol-1-yl)Methyl)-N-benzyl-1-phenylmethanamine

C21H20N4 (328.1688)


   

DILEVALOL

DILEVALOL

C19H24N2O3 (328.1787)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   
   

2-methoxy-N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl]ethanamine

2-methoxy-N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl]ethanamine

C15H26BClN2O3 (328.1725)


   

Bis(pentamethylcyclopentadienyl)nickel

Bis(pentamethylcyclopentadienyl)nickel

C20H30Ni (328.1701)


   

5-[3-(Dimethylamino)-2-methylpropyl]-5H-dibenz[b,f]azepine hydrochloride

5-[3-(Dimethylamino)-2-methylpropyl]-5H-dibenz[b,f]azepine hydrochloride

C20H25ClN2 (328.1706)


   

18-Bromo-6,9-octadecadiene

18-Bromo-6,9-octadecadiene

C18H33Br (328.1765)


   

Glycyl-prolyl-arginine

Glycyl-prolyl-arginine

C13H24N6O4 (328.1859)


   

(S,R)-labetolol

(S,R)-labetolol

C19H24N2O3 (328.1787)


   

(R*,S*)-(1)-5-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide

(R*,S*)-(1)-5-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide

C19H24N2O3 (328.1787)


   

glycyl-L-arginyl-L-proline

glycyl-L-arginyl-L-proline

C13H24N6O4 (328.1859)


   
   
   

5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole

5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole

C19H24N2O3 (328.1787)


   

(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoic acid

(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoic acid

C17H28O6 (328.1886)


   

[3-Carboxy-2-(6-carboxy-3,4-dimethylidenehexanoyl)oxypropyl]-trimethylazanium

[3-Carboxy-2-(6-carboxy-3,4-dimethylidenehexanoyl)oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(4E,7E)-8-carboxyocta-4,7-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(4E,7E)-8-carboxyocta-4,7-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(3E,7E)-8-carboxyocta-3,7-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(3E,7E)-8-carboxyocta-3,7-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(4E,6E)-8-carboxyocta-4,6-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(4E,6E)-8-carboxyocta-4,6-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(2E,7E)-8-carboxyocta-2,7-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(2E,7E)-8-carboxyocta-2,7-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(3E,6E)-8-carboxyocta-3,6-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(3E,6E)-8-carboxyocta-3,6-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

[3-carboxy-2-[(5E,7E)-8-carboxyocta-5,7-dienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(5E,7E)-8-carboxyocta-5,7-dienoyl]oxypropyl]-trimethylazanium

C16H26NO6+ (328.176)


   

4-Cyclohexanecarbonyl-1-(2-phenylethyl)piperazine-2,6-dione

4-Cyclohexanecarbonyl-1-(2-phenylethyl)piperazine-2,6-dione

C19H24N2O3 (328.1787)


   

N-[(E)-Benzylideneamino]-6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-amine

N-[(E)-Benzylideneamino]-6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-amine

C21H20N4 (328.1688)


   

2-Hydroxy-5-((1S)-1-hydroxy-2-(((1S)-1-methyl-3-phenylpropyl)amino)ethyl)benzamide

2-Hydroxy-5-((1S)-1-hydroxy-2-(((1S)-1-methyl-3-phenylpropyl)amino)ethyl)benzamide

C19H24N2O3 (328.1787)


   

Val-Asn-Pro

Val-Asn-Pro

C14H24N4O5 (328.1747)


A tripeptide composed of L-valine, L-asparagine, and L-proline joined by peptide linkages.

   

N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide

N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide

C19H24N2O3 (328.1787)


   

1-Tert-butyl-5-[(4-fluoro-2,6-dimethylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone

1-Tert-butyl-5-[(4-fluoro-2,6-dimethylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone

C18H21FN4O (328.1699)


   

N1-[2-(1H-indol-3-yl)ethyl]-N3-pyridin-4-ylbenzene-1,3-diamine

N1-[2-(1H-indol-3-yl)ethyl]-N3-pyridin-4-ylbenzene-1,3-diamine

C21H20N4 (328.1688)


   
   
   
   
   
   

1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-(2-pyridinylmethylamino)-2-propanol

1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-(2-pyridinylmethylamino)-2-propanol

C19H24N2O3 (328.1787)


   
   
   
   

3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole

3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole

C19H24N2O3 (328.1787)


   
   
   
   

(2s)-5-[(2r,3s,6e,8r,9r)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentan-2-yl acetate

(2s)-5-[(2r,3s,6e,8r,9r)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentan-2-yl acetate

C17H28O6 (328.1886)


   

(3z)-3-{2-[(3s,4z)-3-ethyl-3-hydroxy-1-methylpiperidin-4-ylidene]ethylidene}-7-methoxyindol-2-ol

(3z)-3-{2-[(3s,4z)-3-ethyl-3-hydroxy-1-methylpiperidin-4-ylidene]ethylidene}-7-methoxyindol-2-ol

C19H24N2O3 (328.1787)


   

(1s,10s)-24-methyl-3,12,21,24-tetraazahexacyclo[9.7.3.3²,¹⁰.0¹,¹⁰.0⁴,⁹.0¹³,¹⁸]tetracosa-2,4,6,8,11(21),13,15,17-octaene

(1s,10s)-24-methyl-3,12,21,24-tetraazahexacyclo[9.7.3.3²,¹⁰.0¹,¹⁰.0⁴,⁹.0¹³,¹⁸]tetracosa-2,4,6,8,11(21),13,15,17-octaene

C21H20N4 (328.1688)


   

(1s,12as,13r,14r,15ar)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

(1s,12as,13r,14r,15ar)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

C18H29ClO3 (328.1805)


   

24-methyl-3,12,21,24-tetraazahexacyclo[9.7.3.3²,¹⁰.0¹,¹⁰.0⁴,⁹.0¹³,¹⁸]tetracosa-2,4,6,8,11(21),13,15,17-octaene

24-methyl-3,12,21,24-tetraazahexacyclo[9.7.3.3²,¹⁰.0¹,¹⁰.0⁴,⁹.0¹³,¹⁸]tetracosa-2,4,6,8,11(21),13,15,17-octaene

C21H20N4 (328.1688)


   

9-hydroxy-10-(4-hydroxypentyl)-3-methyl-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl acetate

9-hydroxy-10-(4-hydroxypentyl)-3-methyl-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl acetate

C17H28O6 (328.1886)


   

1-myrtenol

NA

C24H24O (328.1827)


{"Ingredient_id": "HBIN002821","Ingredient_name": "1-myrtenol","Alias": "NA","Ingredient_formula": "C24H24O","Ingredient_Smile": "CC1(C2CC=C(C1C2)C(C3=C4C=CC=CC4=CC5=CC=CC=C53)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33352","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3β-acetoxy,5α,11,12,13-tetrahydroxy-eudesm-4(15)-ene

NA

C17H28O6 (328.1886)


{"Ingredient_id": "HBIN008147","Ingredient_name": "3\u03b2-acetoxy,5\u03b1,11,12,13-tetrahydroxy-eudesm-4(15)-ene","Alias": "NA","Ingredient_formula": "C17H28O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "287","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

10-[3-(1-chloropropyl)-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid

10-[3-(1-chloropropyl)-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid

C18H29ClO3 (328.1805)


   

(3s,6r,9s,10r)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate

(3s,6r,9s,10r)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate

C17H28O6 (328.1886)


   

(3r,3ar,4s,5r,7s,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

(3r,3ar,4s,5r,7s,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

C17H28O6 (328.1886)


   

(3z)-3-{2-[(4z)-3-ethyl-3-hydroxy-1-methylpiperidin-4-ylidene]ethylidene}-7-methoxyindol-2-ol

(3z)-3-{2-[(4z)-3-ethyl-3-hydroxy-1-methylpiperidin-4-ylidene]ethylidene}-7-methoxyindol-2-ol

C19H24N2O3 (328.1787)


   

(1s,12ar,13r,14r,15ar)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

(1s,12ar,13r,14r,15ar)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

C18H29ClO3 (328.1805)


   

6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

C19H24N2O3 (328.1787)


   

(1r,12ar,13s,14s,15as)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

(1r,12ar,13s,14s,15as)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

C18H29ClO3 (328.1805)


   

4-hydroxy-3-methyl-6-[(2s,4r)-2,4,11-trihydroxyundecyl]pyran-2-one

4-hydroxy-3-methyl-6-[(2s,4r)-2,4,11-trihydroxyundecyl]pyran-2-one

C17H28O6 (328.1886)


   

(2s,4as,7r,8as)-8a-hydroxy-4a-methyl-1-methylidene-7-(1,2,3-trihydroxypropan-2-yl)-hexahydro-2h-naphthalen-2-yl acetate

(2s,4as,7r,8as)-8a-hydroxy-4a-methyl-1-methylidene-7-(1,2,3-trihydroxypropan-2-yl)-hexahydro-2h-naphthalen-2-yl acetate

C17H28O6 (328.1886)


   

5-(3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl)pentyl acetate

5-(3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl)pentyl acetate

C17H28O6 (328.1886)


   

(1'r,2's,3r,4's,7's)-2'-(2-hydroxypropyl)-10'-oxa-8'-azaspiro[indole-3,5'-tricyclo[5.4.0.0⁴,⁸]undecan]-2-ol

(1'r,2's,3r,4's,7's)-2'-(2-hydroxypropyl)-10'-oxa-8'-azaspiro[indole-3,5'-tricyclo[5.4.0.0⁴,⁸]undecan]-2-ol

C19H24N2O3 (328.1787)


   

(2s)-2-(1-carboxyundecyl)-5-oxooxolane-2-carboxylic acid

(2s)-2-(1-carboxyundecyl)-5-oxooxolane-2-carboxylic acid

C17H28O6 (328.1886)


   

5-(3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl)pentan-2-yl acetate

5-(3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl)pentan-2-yl acetate

C17H28O6 (328.1886)


   

(3r,3as,4s,5r,7s,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

(3r,3as,4s,5r,7s,7ar)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

C17H28O6 (328.1886)


   

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

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

C19H24N2O3 (328.1787)


   

(1'r,3s,4's,6'r,7'r,8's)-6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

(1'r,3s,4's,6'r,7'r,8's)-6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

C19H24N2O3 (328.1787)


   

4-hydroxy-3-methyl-6-(2,4,11-trihydroxyundecyl)pyran-2-one

4-hydroxy-3-methyl-6-(2,4,11-trihydroxyundecyl)pyran-2-one

C17H28O6 (328.1886)


   

methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate

methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate

C19H24N2O3 (328.1787)


   

14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one

C18H29ClO3 (328.1805)


   

(12s,13s)-12-hydroxy-13-(hydroxymethyl)-3,5-dimethyltetradeca-2,4-dienedioic acid

(12s,13s)-12-hydroxy-13-(hydroxymethyl)-3,5-dimethyltetradeca-2,4-dienedioic acid

C17H28O6 (328.1886)


   

(3s,4's,6'r,7'r,8's)-6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

(3s,4's,6'r,7'r,8's)-6'-ethyl-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-2-one

C19H24N2O3 (328.1787)


   

(9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid

(9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid

C18H29ClO3 (328.1805)


   

5-[(2r,3s,6e,8r,9r)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentyl acetate

5-[(2r,3s,6e,8r,9r)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentyl acetate

C17H28O6 (328.1886)


   

(3r,4r,5e,9s,10r)-9-hydroxy-10-[(4s)-4-hydroxypentyl]-3-methyl-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl acetate

(3r,4r,5e,9s,10r)-9-hydroxy-10-[(4s)-4-hydroxypentyl]-3-methyl-2-oxo-3,4,7,8,9,10-hexahydrooxecin-4-yl acetate

C17H28O6 (328.1886)


   

9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate

9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl acetate

C17H28O6 (328.1886)


   

8a-hydroxy-4a-methyl-1-methylidene-7-(1,2,3-trihydroxypropan-2-yl)-hexahydro-2h-naphthalen-2-yl acetate

8a-hydroxy-4a-methyl-1-methylidene-7-(1,2,3-trihydroxypropan-2-yl)-hexahydro-2h-naphthalen-2-yl acetate

C17H28O6 (328.1886)


   

2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one

2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one

C19H24N2O3 (328.1787)


   

7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylic acid

C17H28O6 (328.1886)


   

(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one

(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one

C19H24N2O3 (328.1787)


   

(1r,3r,5r,6r,7s,9s,10r,13s)-3,5-dimethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradecane-6,7-diol

(1r,3r,5r,6r,7s,9s,10r,13s)-3,5-dimethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradecane-6,7-diol

C17H28O6 (328.1886)


   

n-{1-methoxy-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]-1-oxopropan-2-yl}ethanimidic acid

n-{1-methoxy-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]-1-oxopropan-2-yl}ethanimidic acid

C19H24N2O3 (328.1787)