Exact Mass: 208.1381

Exact Mass Matches: 208.1381

Found 500 metabolites which its exact mass value is equals to given mass value 208.1381, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pilocarpine

(3S-cis)-3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone

C11H16N2O2 (208.1212)


Pilocarpine is only found in individuals that have used or taken this drug. It is a slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. [PubChem]Pilocarpine is a cholinergic parasympathomimetic agent. It increase secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2265 Pilocarpine is a selective M3-type muscarinic acetylcholine receptor (M3 muscarinic receptor) agonist.

   

Aminocarb

4-(Dimethylamino)-3-methylphenol methyl carbamic acid

C11H16N2O2 (208.1212)


CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3190; ORIGINAL_PRECURSOR_SCAN_NO 3188 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3698; ORIGINAL_PRECURSOR_SCAN_NO 3696 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3181; ORIGINAL_PRECURSOR_SCAN_NO 3177 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3692; ORIGINAL_PRECURSOR_SCAN_NO 3690 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3193; ORIGINAL_PRECURSOR_SCAN_NO 3192 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3182; ORIGINAL_PRECURSOR_SCAN_NO 3180 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3706; ORIGINAL_PRECURSOR_SCAN_NO 3704 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3178; ORIGINAL_PRECURSOR_SCAN_NO 3176 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3676; ORIGINAL_PRECURSOR_SCAN_NO 3673 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3212; ORIGINAL_PRECURSOR_SCAN_NO 3210 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3701; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3672; ORIGINAL_PRECURSOR_SCAN_NO 3670 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

Ammodendrine

Isoammodendrine

C12H20N2O (208.1576)


A piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer). relative retention time with respect to 9-anthracene Carboxylic Acid is 0.321 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.317

   

4-Heptyloxyphenol

4-(Heptyloxy) phenol

C13H20O2 (208.1463)


   

1,2-Diphenylcyclobutane

1,1-(1-Methyl-1,3-propanediyl)bis-(R)-benzene

C16H16 (208.1252)


1,2-Diphenylcyclobutane is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin Styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heating

   

2,4-Diphenyl-1-butene

1,1-(1-Methylene-1,3-propanediyl)bisbenzene, 9ci

C16H16 (208.1252)


2,4-Diphenyl-1-butene is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin

   

4-(dimethylamino)phenylalanine

4-Dimethylamino-L-phenylalanine

C11H16N2O2 (208.1212)


   

trans-1,2-Diphenylcyclobutane

trans-1,2-Diphenylcyclobutane

C16H16 (208.1252)


   

3-Hydroxy-beta-ionone

(3E)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-one

C13H20O2 (208.1463)


3-Hydroxy-beta-ionone (CAS: 116296-75-4), also known as apo-9-zeaxanthinone (CAS: 50281-38-4), belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-Hydroxy-beta-ionone has been detected, but not quantified in, several different foods, such as green bell peppers, red bell peppers, pepper (C. annuum), Italian sweet red peppers, and orange bell peppers. This could make 3-hydroxy-beta-ionone a potential biomarker for the consumption of these foods. 3-Hydroxy-beta-ionone is found in pulses. 3-Hydroxy-beta-ionone is isolated from Phaseolus vulgaris (kidney bean). Apo-9-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-9-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-9-zeaxanthinone can be found in a number of food items such as red bell pepper, yellow bell pepper, green bell pepper, and pepper (c. annuum), which makes apo-9-zeaxanthinone a potential biomarker for the consumption of these food products.

   

(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one

(2E)-1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

C13H20O2 (208.1463)


(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is a constituent of cigar tobacco, isolated by gas liquid chromatography (GLC) [CCD]. Constituent of cigar tobacco, isol. by glc [CCD]. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

(5R,6S)-5,6-Epoxy-7-megastigmen-9-one

(3E)-4-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-one

C13H20O2 (208.1463)


(5R,6S)-5,6-Epoxy-7-megastigmen-9-one is found in garden tomato. (5R,6S)-5,6-Epoxy-7-megastigmen-9-one is a constituent of tomatoes and carrots

   

Theaspirone A

2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one

C13H20O2 (208.1463)


(6S,9S)-Theaspirone is found in fruits. (6S,9S)-Theaspirone is a constituent of quince fruit.

   

5,9:6,9-Diepoxy-3-megastigmene

2,2,6,8-Tetramethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene

C13H20O2 (208.1463)


5,9:6,9-Diepoxy-3-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-3-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy and Riesling wine.

   

Eremopetasinorol

1-(5-hydroxy-3a,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-2-yl)ethan-1-one

C13H20O2 (208.1463)


Eremopetasinorol is found in green vegetables. Eremopetasinorol is a constituent of Petasites japonicus (sweet coltsfoot)

   

5,9:6,9-Diepoxy-4-megastigmene

2,2,9-Trimethyl-8,12-dioxatricyclo[7.2.1.01,6]dodec-5-ene

C13H20O2 (208.1463)


5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-4-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy. Constituent of quince fruit (Cydonia oblonga) brandy. 5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages.

   

(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol

2,5,5,8a-tetramethyl-3,5,6,8a-tetrahydro-2H-1-benzopyran-3-ol

C13H20O2 (208.1463)


(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits. (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is a constituent of Passiflora edulis (passion fruit) Constituent of Passiflora edulis (passion fruit). (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits.

   

(S,E)-Lyratol propanoate

(2E)-4-Ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoic acid

C13H20O2 (208.1463)


(S,E)-Lyratol propanoate is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort).

   

5S,6S-epoxy-15R-hydroxy-ETE

Tetraethylene glycol monomethyl ether

C9H20O5 (208.1311)


5S,6S-epoxy-15R-hydroxy-ETE is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). 5S,6S-epoxy-15R-hydroxy-ETE is considered to be soluble (in water) and relatively neutral

   

2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol

(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol

C13H20O2 (208.1463)


2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in fruits. 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is from quince (Cydonia oblonga). From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits.

   

Acetal R

Acetaldehyde phenylethyl propyl acetal

C13H20O2 (208.1463)


(±)-Acetal R is a flavouring ingredient with a green pepper taste; useful in vegetable as fruit flavours. It is used as a food additive

   

Carvyl propionate

2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl propanoic acid

C13H20O2 (208.1463)


Carvyl propionate is a flavouring ingredient with a sweet, fruity, minty taste. Flavouring ingredient with a sweet, fruity, minty taste

   

2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one

2,5,5,8a-tetramethyl-3,5,6,7,8,8a-hexahydro-2H-1-benzopyran-7-one

C13H20O2 (208.1463)


2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is a constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. Constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages and fruits.

   

Descarbonyl-lacosamide

(2R)-2-amino-N-benzyl-3-methoxypropanamide

C11H16N2O2 (208.1212)


Descarbonyl-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)

   

(+)-Isopilocarpine

3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one

C11H16N2O2 (208.1212)


   

Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-

tricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2,4,6,12,14-hexaene

C16H16 (208.1252)


   

4,5-Dihydro-8,9-dehydrotheaspirone

(10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-2-en-8-one

C13H20O2 (208.1463)


4,5-dihydro-8,9-dehydrotheaspirone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,5-dihydro-8,9-dehydrotheaspirone can be found in sunflower, which makes 4,5-dihydro-8,9-dehydrotheaspirone a potential biomarker for the consumption of this food product.

   

3-Oxo-alpha-ionol

4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


3-oxo-alpha-ionol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3-oxo-alpha-ionol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-oxo-alpha-ionol is a spice tasting compound found in common grape, which makes 3-oxo-alpha-ionol a potential biomarker for the consumption of this food product. 3-oxo-alpha-ionol may be a unique S.cerevisiae (yeast) metabolite.

   

5-Megastigmen-7-yne-3,9-diol

4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol

C13H20O2 (208.1463)


5-megastigmen-7-yne-3,9-diol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 5-megastigmen-7-yne-3,9-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-megastigmen-7-yne-3,9-diol can be found in common grape, which makes 5-megastigmen-7-yne-3,9-diol a potential biomarker for the consumption of this food product.

   

7,8-Dihydro-alpha-ionone

(-)-7,8-Dihydro-alpha-ionone

C13H20O2 (208.1463)


   

(6R,9R)-9-Hydroxy-4-megastigmen-3-one

(6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one

C13H20O2 (208.1463)


   
   

N-Methyltetrahydrocytisine

N-Methyltetrahydrocytisine

C12H20N2O (208.1576)


   

2-Hexyl-5-methylresorcinol

2-Hexyl-5-methylresorcinol

C13H20O2 (208.1463)


   

Prosopidione

Prosopidione

C13H20O2 (208.1463)


   

3-Hydroxy-beta-ionone

3-Hydroxy-beta-ionone

C13H20O2 (208.1463)


   

trans-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan

trans-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan

C13H20O2 (208.1463)


   

Nopyl acetate

6,6-Dimethyl-2-norpinene-2-ethanol Acetate

C13H20O2 (208.1463)


   

Heteromine D

Heteromine D

C9H14N5O (208.1198)


   

cis-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan

cis-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan

C13H20O2 (208.1463)


   

Tetraethyl orthosilicate

Tetraethyl orthosilicate

C8H20O4Si (208.1131)


   

N1-(3,3,5-Trimethylcyclohexyl)-2-cyanoacetamide

N1-(3,3,5-Trimethylcyclohexyl)-2-cyanoacetamide

C12H20N2O (208.1576)


   
   

5-Heptylresorcinol

5-Heptylresorcinol

C13H20O2 (208.1463)


   

3,5,5-Trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one

3,5,5-Trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one

C13H20O2 (208.1463)


   

DTXSID60337228

DTXSID60337228

C13H20O2 (208.1463)


   

2,5,5,8a-tetramethyl-3,4,4a,5-tetrahydro-2H,8aH-chromen-8-one

2,5,5,8a-tetramethyl-3,4,4a,5-tetrahydro-2H,8aH-chromen-8-one

C13H20O2 (208.1463)


   

Solanofuran

Solanofuran

C13H20O2 (208.1463)


   

(E,E)-1,6,8-Hexadecatriene-10,12,14-triyne|1,6,8-Hexadecatriene-10,12,14-triyne|1,6E,8E-hexadecatrien-10,12,14-triine|hexadeca-1,6t,8t-triene-10,12,14-triyne|Hexadeca-8,10,15-trien-2,4,6-triin

(E,E)-1,6,8-Hexadecatriene-10,12,14-triyne|1,6,8-Hexadecatriene-10,12,14-triyne|1,6E,8E-hexadecatrien-10,12,14-triine|hexadeca-1,6t,8t-triene-10,12,14-triyne|Hexadeca-8,10,15-trien-2,4,6-triin

C16H16 (208.1252)


   

6,10-dimethyl-5,9-undecadien-2,8-dione

6,10-dimethyl-5,9-undecadien-2,8-dione

C13H20O2 (208.1463)


   

2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-

2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-

C13H20O2 (208.1463)


   

3-methoxy-5-hexylphenol

3-methoxy-5-hexylphenol

C13H20O2 (208.1463)


   

4beta-hydroxy-11,12,13-trinor-5-eudesmen-1,7-dione

4beta-hydroxy-11,12,13-trinor-5-eudesmen-1,7-dione

C12H16O3 (208.1099)


   

(3(a)alpha)-2,2,5,5,7-pentamethyl-1,2,3,3a,4,5-hexahydro-6H-pyrrolo[3,2-b]pyridin-6-one|flavascensine

(3(a)alpha)-2,2,5,5,7-pentamethyl-1,2,3,3a,4,5-hexahydro-6H-pyrrolo[3,2-b]pyridin-6-one|flavascensine

C12H20N2O (208.1576)


   

Propenyltrimethoxybenzol

Propenyltrimethoxybenzol

C12H16O3 (208.1099)


   

DTXSID60649070

DTXSID60649070

C13H20O2 (208.1463)


   

ACMC-20n20x

ACMC-20n20x

C12H16O3 (208.1099)


   

(2E,6E)-5-isopropyl-2-methyl-8-oxonona-2,6-dienal

(2E,6E)-5-isopropyl-2-methyl-8-oxonona-2,6-dienal

C13H20O2 (208.1463)


   

DTXSID60708712

DTXSID60708712

C13H20O2 (208.1463)


   

thymohydroquinone-6-O-acetate

thymohydroquinone-6-O-acetate

C12H16O3 (208.1099)


   

ACMC-20ly7u

ACMC-20ly7u

C12H16O3 (208.1099)


   

(E)-3-oxo-5,6-dihydro-beta-ionone

(E)-3-oxo-5,6-dihydro-beta-ionone

C13H20O2 (208.1463)


   

1,2-Dihydro-(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,

1,2-Dihydro-(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,

C13H20O2 (208.1463)


   

6-Hydroxy-8-methoxy-3,5-dimethylisochroman

6-Hydroxy-8-methoxy-3,5-dimethylisochroman

C12H16O3 (208.1099)


   

Helminthosporol

Helminthosporol

C13H20O2 (208.1463)


   

(S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)-butan-2-one

(S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)-butan-2-one

C12H16O3 (208.1099)


   

(1Z,3E,5R,6R)-5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one|(6R,5R)-6-<(1Z,3E)-5-hydroxy-1,3-heptadienyl>-5,6-dihydro-2H-pyran-2-one

(1Z,3E,5R,6R)-5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one|(6R,5R)-6-<(1Z,3E)-5-hydroxy-1,3-heptadienyl>-5,6-dihydro-2H-pyran-2-one

C12H16O3 (208.1099)


   

Neodictyoprolene

Neodictyoprolene

C13H20O2 (208.1463)


   

4-(3,4-dimethoxyphenyl)butan-2-one

4-(3,4-dimethoxyphenyl)butan-2-one

C12H16O3 (208.1099)


   

DTXSID40335767

DTXSID40335767

C13H20O2 (208.1463)


   

9-Acetoxy-p-mentha-1,3,5-triene-8-ol

9-Acetoxy-p-mentha-1,3,5-triene-8-ol

C12H16O3 (208.1099)


   
   

(+)-acremine N|acremine N

(+)-acremine N|acremine N

C12H16O3 (208.1099)


   

Cytisine, tetrahydro-12-methyl-

Cytisine, tetrahydro-12-methyl-

C12H20N2O (208.1576)


   

(E)-4-methoxy-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|aplysiopsene A

(E)-4-methoxy-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|aplysiopsene A

C12H16O3 (208.1099)


   

(3R)-3r,4t,5-Trimethyl-isochroman-6,8-diol|decarboxydihydrocitrinin

(3R)-3r,4t,5-Trimethyl-isochroman-6,8-diol|decarboxydihydrocitrinin

C12H16O3 (208.1099)


   

3-Methoxy-2-methyl-5-pentylphenol

3-Methoxy-2-methyl-5-pentylphenol

C13H20O2 (208.1463)


   

(E)-2-(hydroxymethyl)-3-(2-hydroxypent-3-enyl)phenol

(E)-2-(hydroxymethyl)-3-(2-hydroxypent-3-enyl)phenol

C12H16O3 (208.1099)


   

(S,E)-3-ethyl-6-(4-hydroxypent-2-en-2-yl)-2H-pyran-2-one|nocapyrone G

(S,E)-3-ethyl-6-(4-hydroxypent-2-en-2-yl)-2H-pyran-2-one|nocapyrone G

C12H16O3 (208.1099)


   

CHEMBL4072589

CHEMBL4072589

C12H16O3 (208.1099)


   

(3aR,6aS)-5,6-dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione|suberosanone A

(3aR,6aS)-5,6-dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione|suberosanone A

C12H16O3 (208.1099)


   

SCHEMBL107180

SCHEMBL107180

C13H20O2 (208.1463)


   

4-(4,5-dimethyl-1,3-dioxolan-2-yl)methyl-phenol

4-(4,5-dimethyl-1,3-dioxolan-2-yl)methyl-phenol

C12H16O3 (208.1099)


   

oxyphyllenone A

oxyphyllenone A

C13H20O2 (208.1463)


   

2,2,6,7-Tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one

2,2,6,7-Tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one

C13H20O2 (208.1463)


   

12-Oxododeca-5,8,10-trienoic acid

12-Oxododeca-5,8,10-trienoic acid

C12H16O3 (208.1099)


   

(2,4-dihydroxy-6-methylphenyl) (2-methylpropyl) ketone

(2,4-dihydroxy-6-methylphenyl) (2-methylpropyl) ketone

C12H16O3 (208.1099)


   

SCHEMBL1682628

SCHEMBL1682628

C12H16O3 (208.1099)


   

ACMC-20lowt

ACMC-20lowt

C12H16O3 (208.1099)


   

2-Butyl-5-propylresorcinol

2-Butyl-5-propylresorcinol

C13H20O2 (208.1463)


   

4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

3-Methoxy-5-pentanoylphenol

3-Methoxy-5-pentanoylphenol

C12H16O3 (208.1099)


   

Senkyunolide G

3-Butyl-3-hydroxy-4,5-dihydroisobenzofuran-1(3H)-one

C12H16O3 (208.1099)


   

4-Acetoxypina-2-ene-7-one

4-Acetoxypina-2-ene-7-one

C12H16O3 (208.1099)


   

6,8-Dihydroxy-3,5,7-trimethylisochroman

6,8-Dihydroxy-3,5,7-trimethylisochroman

C12H16O3 (208.1099)


   

dodec-4t-ene-6,8-diyne-1,3,10-triol

dodec-4t-ene-6,8-diyne-1,3,10-triol

C12H16O3 (208.1099)


   
   

9-Acetoxy-p-mentha-1,3,5-triene-3-ol

9-Acetoxy-p-mentha-1,3,5-triene-3-ol

C12H16O3 (208.1099)


   

Chrysanthenyl propionate

Chrysanthenyl propionate

C13H20O2 (208.1463)


   

Ethyl 3-hydroxy-3-(2-methylphenyl)propanoate

Ethyl 3-hydroxy-3-(2-methylphenyl)propanoate

C12H16O3 (208.1099)


   

3,4-dihydroxy-5-prenylbenzyl alcohol

3,4-dihydroxy-5-prenylbenzyl alcohol

C12H16O3 (208.1099)


   

DTXSID30773937

DTXSID30773937

C13H20O2 (208.1463)


   

1alpha,2alpha,4alpha-4-ethoxy-1,2,3,4-tetrahydronaphthalene-1,2-diol

1alpha,2alpha,4alpha-4-ethoxy-1,2,3,4-tetrahydronaphthalene-1,2-diol

C12H16O3 (208.1099)


   

(E)-1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one|3-hydroxy-pi-damascone|4-hydroxy-beta-damascone

(E)-1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one|3-hydroxy-pi-damascone|4-hydroxy-beta-damascone

C13H20O2 (208.1463)


   

Elaeodanidine A|Elaeokanidine B|Elaeokanidine C

Elaeodanidine A|Elaeokanidine B|Elaeokanidine C

C12H20N2O (208.1576)


   

4-(4-Hydroxy-3-methoxybenzyl)-2-butanone

4-(4-Hydroxy-3-methoxybenzyl)-2-butanone

C12H16O3 (208.1099)


   

(+/-)-3-hydroxy-7,8-dehydro-beta-ionol|(4R)-4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-butyn-2-ol|3-Hydroxy-7,8-Dehydro-beta-ionol|3-hydroxy-7,8-didehydro-beta-ionol|4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol|5-Megastigmen-7-yne-3,9-diol|megastigm-5-en-7-yne-3,9-diol

(+/-)-3-hydroxy-7,8-dehydro-beta-ionol|(4R)-4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-butyn-2-ol|3-Hydroxy-7,8-Dehydro-beta-ionol|3-hydroxy-7,8-didehydro-beta-ionol|4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol|5-Megastigmen-7-yne-3,9-diol|megastigm-5-en-7-yne-3,9-diol

C13H20O2 (208.1463)


   

DTXSID20574137

DTXSID20574137

C13H20O2 (208.1463)


   

2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one

2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one

C13H20O2 (208.1463)


   

3-(5-propyl-pyrimidin-2-yl)-propionic acid methyl ester

3-(5-propyl-pyrimidin-2-yl)-propionic acid methyl ester

C11H16N2O2 (208.1212)


   

DTXSID60830143

DTXSID60830143

C12H16O3 (208.1099)


   

(+-)-tricycloekasantalic acid methyl ester|(+-)-Tricycloekasantalsaeure-methylester|3-(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-propionic acid methyl ester|3-(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-propionsaeure-methylester|Tricycloekasantalsaeure-methylester

(+-)-tricycloekasantalic acid methyl ester|(+-)-Tricycloekasantalsaeure-methylester|3-(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-propionic acid methyl ester|3-(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-propionsaeure-methylester|Tricycloekasantalsaeure-methylester

C13H20O2 (208.1463)


   

(4aS,5S,8R)-5,6,7,8-tetrahydro-3,8-dihydroxy-4a,5-dimethylnaphthalen-2(4aH)-one

(4aS,5S,8R)-5,6,7,8-tetrahydro-3,8-dihydroxy-4a,5-dimethylnaphthalen-2(4aH)-one

C12H16O3 (208.1099)


   

erythro-1-[4-(sec-butyl)phenyl]propane-1,2-diol

erythro-1-[4-(sec-butyl)phenyl]propane-1,2-diol

C13H20O2 (208.1463)


   
   

5,9:6,7-Diepoxy-3,6-megastigmadiene

5,9:6,7-Diepoxy-3,6-megastigmadiene

C13H20O2 (208.1463)


   

2-(methoxymethyl)-3-pentylphenol

2-(methoxymethyl)-3-pentylphenol

C13H20O2 (208.1463)


   

Phenol, 2-methoxy-4-propyl-, acetate

Phenol, 2-methoxy-4-propyl-, acetate

C12H16O3 (208.1099)


   

2,3,4,5-Tetrahydro-5-isopropyl-2,5-dimethyl-2,2-bifuran

2,3,4,5-Tetrahydro-5-isopropyl-2,5-dimethyl-2,2-bifuran

C13H20O2 (208.1463)


   

N-p-hydroxybenxoylputrescine

N-p-hydroxybenxoylputrescine

C11H16N2O2 (208.1212)


   

BENZOYLCHOLINE

BENZOYLCHOLINE

[C12H18NO2]+ (208.1337)


IPB_RECORD: 223; CONFIDENCE confident structure

   

Pilocarpine

Pilocarpine

C11H16N2O2 (208.1212)


S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 Pilocarpine is a selective M3-type muscarinic acetylcholine receptor (M3 muscarinic receptor) agonist.

   

C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl

NCGC00380942-01_C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-

C13H20O2 (208.1463)


   

AMINOCARB

Pesticide9_Aminocarb_C11H16N2O2_4-(Dimethylamino)-3-methylphenyl methylcarbamate

C11H16N2O2 (208.1212)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-

1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-

C12H16O3 (208.1099)


   

12-oxo-5E,8E,10Z-dodecatrienoic acid

12-oxo-5E,8E,10Z-dodecatrienoic acid

C12H16O3 (208.1099)


   

Eremopetasinorol

1-(5-hydroxy-3a,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-2-yl)ethan-1-one

C13H20O2 (208.1463)


   

Jasmine ketolactone

1H,2H,4H,5H,8H,8aH,9H,10H,11H,11aH-cyclopenta[d]oxecine-2,9-dione

C12H16O3 (208.1099)


   

(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid

2-{3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopent-1-en-1-yl}acetic acid

C12H16O3 (208.1099)


   

5-Deoxydiplosporin

6-ethyl-3-(hydroxymethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one

C12H16O3 (208.1099)


   

(S,E)-Lyratol propanoate

(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate

C13H20O2 (208.1463)


   

(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol

2,5,5,8a-tetramethyl-3,5,6,8a-tetrahydro-2H-1-benzopyran-3-ol

C13H20O2 (208.1463)


   

(5R,6S)-5,6-Epoxy-7-megastigmen-9-one

(3E)-4-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-one

C13H20O2 (208.1463)


   

anisyl butyrate

Butanoic acid, (4-methoxyphenyl)methyl ester

C12H16O3 (208.1099)


   

3,7-Dimethyl-6-methoxy-8-Isochromanol

6-methoxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-8-ol

C12H16O3 (208.1099)


   

Theaspirone A

2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one

C13H20O2 (208.1463)


   

1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol

2,4,5,7a-tetrahydro-1,4,4,7a-Tetramethyl-1H-indene-1,2-diol, 9ci

C13H20O2 (208.1463)


   

3-Hydroxy-b-ionone

(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

Pepital

Acetaldehyde phenylethyl propyl acetal

C13H20O2 (208.1463)


   

5,9:6,9-Diepoxy-3-megastigmene

2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0^{1,6}]undec-4-ene

C13H20O2 (208.1463)


   

Carvyl propionate

2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl propanoate

C13H20O2 (208.1463)


   

5,9:6,9-Diepoxy-4-megastigmene

2,2,9-trimethyl-8,12-dioxatricyclo[7.2.1.0^{1,6}]dodec-5-ene

C13H20O2 (208.1463)


   

Amyl salicylate

Benzoic acid, 2-hydroxy-, pentyl ester

C12H16O3 (208.1099)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

FEMA 2873

Isobutyric acid, 2-phenoxyethyl ester (6ci,8ci)

C12H16O3 (208.1099)


   

Trefol

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester

C12H16O3 (208.1099)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

3,4-Dihydro-3-oxoedulan

2,5,5,8a-tetramethyl-3,5,6,7,8,8a-hexahydro-2H-1-benzopyran-7-one

C13H20O2 (208.1463)


   

6-Methoxy-2,2-dimethyl-4-chromanol

3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol

C12H16O3 (208.1099)


   

3-Hydroxy-b-damascone

(2E)-1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

C13H20O2 (208.1463)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

(4-tert-Butyl-phenoxy)-acetic acid

(4-tert-Butyl-phenoxy)-acetic acid

C12H16O3 (208.1099)


   

FA 12:4;O

12-oxo-dodeca-(5Z,8Z,10E)-trienoic acid

C12H16O3 (208.1099)


   

ethyl 2-(2-ethylphenoxy)acetate

ethyl 2-(2-ethylphenoxy)acetate

C12H16O3 (208.1099)


   

Benzoic acid,4-(3-methylbutoxy)-

Benzoic acid,4-(3-methylbutoxy)-

C12H16O3 (208.1099)


   

Isobornyl acrylate

Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate

C13H20O2 (208.1463)


   

7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C11H16N2O2 (208.1212)


   

ethyl 3-(3-methoxyphenyl)propanoate

ethyl 3-(3-methoxyphenyl)propanoate

C12H16O3 (208.1099)


   

3-(1-Adamantyl)propanoic acid

3-(1-Adamantyl)propanoic acid

C13H20O2 (208.1463)


   

5-(3-Methoxyphenyl)pentanoic acid

5-(3-Methoxyphenyl)pentanoic acid

C12H16O3 (208.1099)


   

1-Methyl-1H-pyrazole-5-boronicacidpinacolester

1-Methyl-1H-pyrazole-5-boronicacidpinacolester

C10H17BN2O2 (208.1383)


   

2-[4-(2-aminoethoxy)phenyl]-N-methylacetamide

2-[4-(2-aminoethoxy)phenyl]-N-methylacetamide

C11H16N2O2 (208.1212)


   

1,2,3,3a,4,5-Hexahydropyrene

1,2,3,3a,4,5-Hexahydropyrene

C16H16 (208.1252)


   

TERT-BUTYL 2-CHLOROPYRIDIN-4-YLCARBAMATE

TERT-BUTYL 2-CHLOROPYRIDIN-4-YLCARBAMATE

C11H16N2O2 (208.1212)


   

tert-Butyl (5-methylpyridin-2-yl)carbamate

tert-Butyl (5-methylpyridin-2-yl)carbamate

C11H16N2O2 (208.1212)


   

tert-butyl N-(4-methylpyridin-2-yl)carbamate

tert-butyl N-(4-methylpyridin-2-yl)carbamate

C11H16N2O2 (208.1212)


   
   

[4-(Tetrahydropyran-4-yloxy)phenyl]methanol

[4-(Tetrahydropyran-4-yloxy)phenyl]methanol

C12H16O3 (208.1099)


   

N-(2-trimethoxysilylethyl)ethane-1,2-diamine

N-(2-trimethoxysilylethyl)ethane-1,2-diamine

C7H20N2O3Si (208.1243)


   

(S)-BENZYL (1-AMINOPROPAN-2-YL)CARBAMATE

(S)-BENZYL (1-AMINOPROPAN-2-YL)CARBAMATE

C11H16N2O2 (208.1212)


   

benzyl 2-(methylamino)ethylcarbamate

benzyl 2-(methylamino)ethylcarbamate

C11H16N2O2 (208.1212)


   

3-CYCLOHEXYL-2-HYDROXY-4,4-DIMETHYLCYCLOPENT-2-ENONE

3-CYCLOHEXYL-2-HYDROXY-4,4-DIMETHYLCYCLOPENT-2-ENONE

C13H20O2 (208.1463)


   

N,N-DIMETHYL-2-[4-[(METHYLAMINO)METHYL]PHENOXY]ETHANAMINE

N,N-DIMETHYL-2-[4-[(METHYLAMINO)METHYL]PHENOXY]ETHANAMINE

C12H20N2O (208.1576)


   

METHYL 3-AMINO-4-(ISOPROPYLAMINO)BENZOATE

METHYL 3-AMINO-4-(ISOPROPYLAMINO)BENZOATE

C11H16N2O2 (208.1212)


   

(N-TRIFLUOROACETYL-L-CYSTEINYL)GLYCINEMETHYLESTER,(1-1)DISULPHIDE

(N-TRIFLUOROACETYL-L-CYSTEINYL)GLYCINEMETHYLESTER,(1-1)DISULPHIDE

C13H24Si (208.1647)


   

2-(2,3-dimethylphenoxy)propanehydrazide

2-(2,3-dimethylphenoxy)propanehydrazide

C11H16N2O2 (208.1212)


   

2-METHOXY-5-PIPERAZIN-1-YL-PHENOL

2-METHOXY-5-PIPERAZIN-1-YL-PHENOL

C11H16N2O2 (208.1212)


   

Benzoic acid, 3-amino-4-(ethylamino)-, ethyl ester (9CI)

Benzoic acid, 3-amino-4-(ethylamino)-, ethyl ester (9CI)

C11H16N2O2 (208.1212)


   

2-Methyl-1,1-diphenylpropene

2-Methyl-1,1-diphenylpropene

C16H16 (208.1252)


   

Carbamic acid, (3-methyl-4-pyridinyl)-, 1,1-dimethylethyl ester (9CI)

Carbamic acid, (3-methyl-4-pyridinyl)-, 1,1-dimethylethyl ester (9CI)

C11H16N2O2 (208.1212)


   

bis[(dimethylamino)methyl]phenol

bis[(dimethylamino)methyl]phenol

C12H20N2O (208.1576)


   

N-METHYL-2-[2-(DIMETHYLAMINO)ETHOXY]BENZYLAMINE

N-METHYL-2-[2-(DIMETHYLAMINO)ETHOXY]BENZYLAMINE

C12H20N2O (208.1576)


   

tert-Butyl (6-methylpyridin-2-yl)carbamate

tert-Butyl (6-methylpyridin-2-yl)carbamate

C11H16N2O2 (208.1212)


   

3-AMINO-3-(4-DIMETHYLAMINO-PHENYL)-PROPIONIC ACID

3-AMINO-3-(4-DIMETHYLAMINO-PHENYL)-PROPIONIC ACID

C11H16N2O2 (208.1212)


   

Urea, N-(2-ethoxyphenyl)-N-ethyl- (9CI)

Urea, N-(2-ethoxyphenyl)-N-ethyl- (9CI)

C11H16N2O2 (208.1212)


   

Urea, N-(2-ethoxyphenyl)-N,N-dimethyl- (9CI)

Urea, N-(2-ethoxyphenyl)-N,N-dimethyl- (9CI)

C11H16N2O2 (208.1212)


   

N2,N2-DIETHYL-3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXAMIDE

N2,N2-DIETHYL-3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXAMIDE

C12H20N2O (208.1576)


   

1,2,3,6,7,8-HEXAHYDROPYRENE

1,2,3,6,7,8-HEXAHYDROPYRENE

C16H16 (208.1252)


   

[2.2]Paracyclophane

[2.2]Paracyclophane

C16H16 (208.1252)


   

N,N,N,N,1-Pentamethyl-1-phenylsilanediamine

N,N,N,N,1-Pentamethyl-1-phenylsilanediamine

C11H20N2Si (208.1396)


   

2-(Boc-Amino)-3-methylpyridine

2-(Boc-Amino)-3-methylpyridine

C11H16N2O2 (208.1212)


   

4-[3-(dimethylamino)propoxy]benzylamine

4-[3-(dimethylamino)propoxy]benzylamine

C12H20N2O (208.1576)


   

Phosphorous acid,tripropyl ester

Phosphorous acid,tripropyl ester

C9H21O3P (208.1228)


   

Benzoic acid,4-butoxy-, hydrazide

Benzoic acid,4-butoxy-, hydrazide

C11H16N2O2 (208.1212)


   

TERT-BUTYL 2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDIN-6-YLCARBAMATE

TERT-BUTYL 2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDIN-6-YLCARBAMATE

C12H20N2O (208.1576)


   

4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane

C11H17BO3 (208.1271)


   
   

4-nitrodiphenyl-d9

4-nitrodiphenyl-d9

C12D9NO2 (208.1198)


   

(2H7)-1-Naphthyl methylcarbamate

(2H7)-1-Naphthyl methylcarbamate

C12H4D7NO2 (208.1229)


   

(4-(ISOPENTYLOXY)PHENYL)BORONIC ACID

(4-(ISOPENTYLOXY)PHENYL)BORONIC ACID

C11H17BO3 (208.1271)


   

3-tert-butoxymethylphenylboronic acid

3-tert-butoxymethylphenylboronic acid

C11H17BO3 (208.1271)


   

N-(2,2-dimethoxyethyl)benzenecarboximidamide

N-(2,2-dimethoxyethyl)benzenecarboximidamide

C11H16N2O2 (208.1212)


   

2-(6-Amino-pyridin-3-yl)-2-methyl-propionic acid ethyl ester

2-(6-Amino-pyridin-3-yl)-2-methyl-propionic acid ethyl ester

C11H16N2O2 (208.1212)


   

METHYL 6-(DIETHYLAMINO)NICOTINATE

METHYL 6-(DIETHYLAMINO)NICOTINATE

C11H16N2O2 (208.1212)


   

2-Isobutoxy-5-methylphenylboronic acid

2-Isobutoxy-5-methylphenylboronic acid

C11H17BO3 (208.1271)


   

(4-ISOPROPOXY-3,5-DIMETHYLPHENYL)BORONIC ACID

(4-ISOPROPOXY-3,5-DIMETHYLPHENYL)BORONIC ACID

C11H17BO3 (208.1271)


   

ETHYL-2-METHYL-4-ISOPROPYL-5-PYRIMIDINE CARBOXYLATE

ETHYL-2-METHYL-4-ISOPROPYL-5-PYRIMIDINE CARBOXYLATE

C11H16N2O2 (208.1212)


   

1-(4-aminophenyl)-2-(butan-2-ylamino)ethanol

1-(4-aminophenyl)-2-(butan-2-ylamino)ethanol

C12H20N2O (208.1576)


   

(E)-1,2-Bis(4-methylphenyl)ethene

(E)-1,2-Bis(4-methylphenyl)ethene

C16H16 (208.1252)


   

2-(n-morpholino)ethanesulfonic acid-d13

2-(n-morpholino)ethanesulfonic acid-d13

C6D13NO4S (208.1381)


   

Urea, N-(3-ethoxyphenyl)-N-ethyl- (9CI)

Urea, N-(3-ethoxyphenyl)-N-ethyl- (9CI)

C11H16N2O2 (208.1212)


   

(R)-1-(1-(4-FLUOROPHENYL)ETHYL)PIPERAZINE

(R)-1-(1-(4-FLUOROPHENYL)ETHYL)PIPERAZINE

C12H17FN2 (208.1376)


   

N,N-Diethyl-3-methoxy-4-nitrosoaniline

N,N-Diethyl-3-methoxy-4-nitrosoaniline

C11H16N2O2 (208.1212)


   

3-ETHYLADAMANTANECARBOXYLIC ACID

3-ETHYLADAMANTANECARBOXYLIC ACID

C13H20O2 (208.1463)


   

BENZENE,1,1-(3-METHYL-1-PROP

BENZENE,1,1-(3-METHYL-1-PROP

C16H16 (208.1252)


   

2-BUTOXY-5-METHYLPHENYLBORONIC ACID

2-BUTOXY-5-METHYLPHENYLBORONIC ACID

C11H17BO3 (208.1271)


   

4-Butoxy-2-methylphenylboronic acid

4-Butoxy-2-methylphenylboronic acid

C11H17BO3 (208.1271)


   

3,5-DIMETHYL-4-PROPOXYPHENYLBORONIC ACID

3,5-DIMETHYL-4-PROPOXYPHENYLBORONIC ACID

C11H17BO3 (208.1271)


   

1-Methylpyrazole-4-boronic acid pinacol ester

1-Methylpyrazole-4-boronic acid pinacol ester

C10H17BN2O2 (208.1383)


   

3-methoxy-4-morpholin-4-ylaniline

3-methoxy-4-morpholin-4-ylaniline

C11H16N2O2 (208.1212)


   

N-ETHYLAMINOCARBONYLTYRAMINE

N-ETHYLAMINOCARBONYLTYRAMINE

C11H16N2O2 (208.1212)


   

4,4,5,5-Tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane

C11H17BO3 (208.1271)


   

N-[3-(3-aminopropoxy)phenyl]acetamide

N-[3-(3-aminopropoxy)phenyl]acetamide

C11H16N2O2 (208.1212)


   

2-(4-propan-2-ylphenoxy)acetohydrazide

2-(4-propan-2-ylphenoxy)acetohydrazide

C11H16N2O2 (208.1212)


   

2-(3,4-dimethylphenoxy)propanehydrazide

2-(3,4-dimethylphenoxy)propanehydrazide

C11H16N2O2 (208.1212)


   

3-Amino-6-(2,6-dimethylmorpholin-4-yl)pyridazine

3-Amino-6-(2,6-dimethylmorpholin-4-yl)pyridazine

C10H16N4O (208.1324)


   

2-(3,5-DIMETHYLPHENOXY)PROPIONICACIDHYDRAZIDE

2-(3,5-DIMETHYLPHENOXY)PROPIONICACIDHYDRAZIDE

C11H16N2O2 (208.1212)


   

CBZ-N-METHYLETHYLENEDIAMINE

CBZ-N-METHYLETHYLENEDIAMINE

C11H16N2O2 (208.1212)


   

fruity carboxylate

fruity carboxylate

C13H20O2 (208.1463)


   

tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate

tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate

C11H16N2O2 (208.1212)


   

3-[2-(diethylamino)ethoxy]aniline

3-[2-(diethylamino)ethoxy]aniline

C12H20N2O (208.1576)


   

diisobutyl methylphosphonate

diisobutyl methylphosphonate

C9H21O3P (208.1228)


   

(R)-2-amino-N-benzyl-3-methoxypropanamide

(R)-2-Amino-N-benzyl-3-methoxypropionamide

C11H16N2O2 (208.1212)


   

2-Pyrrolidinemethanamine,1-ethyl-N-(2-furanylmethyl)-(9CI)

2-Pyrrolidinemethanamine,1-ethyl-N-(2-furanylmethyl)-(9CI)

C12H20N2O (208.1576)


   

(TRIISOPROPOXYTITANOXY)TRI-N-BUTYLTIN

(TRIISOPROPOXYTITANOXY)TRI-N-BUTYLTIN

C13H24Si (208.1647)


   

(3-BUTOXY-5-METHYLPHENYL)BORONIC ACID

(3-BUTOXY-5-METHYLPHENYL)BORONIC ACID

C11H17BO3 (208.1271)


   

(3-ISOBUTOXY-5-METHYLPHENYL)BORONIC ACID

(3-ISOBUTOXY-5-METHYLPHENYL)BORONIC ACID

C11H17BO3 (208.1271)


   

Poly(diethoxysiloxane)

Poly(diethoxysiloxane)

C8H20O4Si (208.1131)


   

TERT-BUTYL (2-METHYLPYRIDIN-3-YL)CARBAMATE

TERT-BUTYL (2-METHYLPYRIDIN-3-YL)CARBAMATE

C11H16N2O2 (208.1212)


   

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

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

C10H17BN2O2 (208.1383)


   

n-boc-2-aminomethylpyridine 97

n-boc-2-aminomethylpyridine 97

C11H16N2O2 (208.1212)


   

1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2 (208.1383)


   

1H-Imidazole-4-carboxylicacid,1-cyclopropyl-2,5-dimethyl-,ethylester(9CI)

1H-Imidazole-4-carboxylicacid,1-cyclopropyl-2,5-dimethyl-,ethylester(9CI)

C11H16N2O2 (208.1212)


   

4-Pentyloxyphenylboronic acid

4-Pentyloxyphenylboronic acid

C11H17BO3 (208.1271)


   

N-(5-HYDROXYMETHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

N-(5-HYDROXYMETHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

C11H16N2O2 (208.1212)


   

N-[4-(hydroxymethyl)pyridin-3-yl]-2,2-dimethylpropanamide

N-[4-(hydroxymethyl)pyridin-3-yl]-2,2-dimethylpropanamide

C11H16N2O2 (208.1212)


   

N-[4-(hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide

N-[4-(hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide

C11H16N2O2 (208.1212)


   

3-FURAN-2-YL-4-PHENYL-BUTYRIC ACID

3-FURAN-2-YL-4-PHENYL-BUTYRIC ACID

C12H17FN2 (208.1376)


   

2-Methoxy-4-(piperazin-1-yl)phenol

2-Methoxy-4-(piperazin-1-yl)phenol

C11H16N2O2 (208.1212)


   

octahydro-4,7-methano-1H-indenemethyl acetate

octahydro-4,7-methano-1H-indenemethyl acetate

C13H20O2 (208.1463)


   

N1-(4-Ethoxyphenyl)-2-methyl-1,2-propanediamine

N1-(4-Ethoxyphenyl)-2-methyl-1,2-propanediamine

C12H20N2O (208.1576)


   

6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxamide

6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxamide

C10H16N4O (208.1324)


   

3-[3-(Dimethylamino)propoxy]benzylamine

3-[3-(Dimethylamino)propoxy]benzylamine

C12H20N2O (208.1576)


   

4-[2-(diethylamino)ethoxy]aniline

4-[2-(diethylamino)ethoxy]aniline

C12H20N2O (208.1576)


   

N-[3-(ethylamino)-4-methoxyphenyl]acetamide

N-[3-(ethylamino)-4-methoxyphenyl]acetamide

C11H16N2O2 (208.1212)


   

N-(6-METHOXYPYRIDIN-2-YL)PIVALAMIDE

N-(6-METHOXYPYRIDIN-2-YL)PIVALAMIDE

C11H16N2O2 (208.1212)


   

N-(4-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

N-(4-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

C11H16N2O2 (208.1212)


   

N-(2-METHOXY-PYRIDIN-4-YL)-2,2-DIMETHYL-PROPIONAMIDE

N-(2-METHOXY-PYRIDIN-4-YL)-2,2-DIMETHYL-PROPIONAMIDE

C11H16N2O2 (208.1212)


   

N-(5-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

N-(5-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

C11H16N2O2 (208.1212)


   

tert-Butyl (2-aminophenyl)carbamate

tert-Butyl (2-aminophenyl)carbamate

C11H16N2O2 (208.1212)


   

di-n-butyl methylphosphonate

di-n-butyl methylphosphonate

C9H21O3P (208.1228)


   

1-(2-fluorobenzyl)piperidin-3-amine(SALTDATA: 2HCl)

1-(2-fluorobenzyl)piperidin-3-amine(SALTDATA: 2HCl)

C12H17FN2 (208.1376)


   

2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanamine

2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H17FN2 (208.1376)


   

N-Boc-m-phenylenediamine

N-Boc-m-phenylenediamine

C11H16N2O2 (208.1212)


   

2-(Cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-(Cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C12H20N2O (208.1576)


   

10,10-dimethyl-9H-anthracene

10,10-dimethyl-9H-anthracene

C16H16 (208.1252)


   

2-Methyl-2-propanyl 2-(methylamino)nicotinate

2-Methyl-2-propanyl 2-(methylamino)nicotinate

C11H16N2O2 (208.1212)


   

tert-butyl isopropylphenyl peroxide

tert-butyl isopropylphenyl peroxide

C13H20O2 (208.1463)


   

Propanoic acid, 2-(4-ethylphenoxy)-, hydrazide (9CI)

Propanoic acid, 2-(4-ethylphenoxy)-, hydrazide (9CI)

C11H16N2O2 (208.1212)


   

n,n,n,n-tetraethylsulfamide

n,n,n,n-tetraethylsulfamide

C8H20N2O2S (208.1245)


   

tert-Butyl (6-methylpyridin-3-yl)carbamate

tert-Butyl (6-methylpyridin-3-yl)carbamate

C11H16N2O2 (208.1212)


   

1H-spiro[furo[3,4-c]pyridine-3,4-piperidin]-1-one

1H-spiro[furo[3,4-c]pyridine-3,4-piperidin]-1-one

C11H16N2O2 (208.1212)


   

2-Methoxy-4-(4-morpholinyl)aniline

2-Methoxy-4-(4-morpholinyl)aniline

C11H16N2O2 (208.1212)


   

N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine

N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine

C10H16N4O (208.1324)


   

N-(4-Methoxyphenyl)isobutyrohydrazide

N-(4-Methoxyphenyl)isobutyrohydrazide

C11H16N2O2 (208.1212)


   

2-nitrodiphenyl-d9

2-nitrodiphenyl-d9

C12D9NO2 (208.1198)


   

(R)-benzyl 2-aminopropylcarbamate

(R)-benzyl 2-aminopropylcarbamate

C11H16N2O2 (208.1212)


   

(R)-benzyl 1-aminopropan-2-ylcarbamate

(R)-benzyl 1-aminopropan-2-ylcarbamate

C11H16N2O2 (208.1212)


   

Tricyclo[4.4.0.03,8]decan-2-one, 8-ethoxy-1-methyl- (9CI)

Tricyclo[4.4.0.03,8]decan-2-one, 8-ethoxy-1-methyl- (9CI)

C13H20O2 (208.1463)


   

1,1-DI(O-TOLYL)ETHYLENE

1,1-DI(O-TOLYL)ETHYLENE

C16H16 (208.1252)


   

tert-butyl N-methyl-N-pyridin-2-ylcarbamate

tert-butyl N-methyl-N-pyridin-2-ylcarbamate

C11H16N2O2 (208.1212)


   

tert-butyl 6-methylpyridin-2-ylcarbamate

tert-butyl 6-methylpyridin-2-ylcarbamate

C11H16N2O2 (208.1212)


   

Benzaldehyde, 4-[2-(dimethylamino)ethoxy]-, oxime

Benzaldehyde, 4-[2-(dimethylamino)ethoxy]-, oxime

C11H16N2O2 (208.1212)


   

Ethyl 1-adamantanecarboxylate

Ethyl 1-adamantanecarboxylate

C13H20O2 (208.1463)


   

ETHYL-2-METHYL-4-PROPYL-5-PYRIMIDINE CARBOXYLATE

ETHYL-2-METHYL-4-PROPYL-5-PYRIMIDINE CARBOXYLATE

C11H16N2O2 (208.1212)


   

N-(furan-2-ylmethyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)piperidine-4-carboxamide

C11H16N2O2 (208.1212)


   

Triisopropyl phosphite

Triisopropyl phosphite

C9H21O3P (208.1228)


   

tert-Butyl (pyridin-4-ylmethyl)carbamate

tert-Butyl (pyridin-4-ylmethyl)carbamate

C11H16N2O2 (208.1212)


   

m-ACETOTOLUIDIDE, alpha-(DIMETHYLAMINO)-4-HYDROXY-

m-ACETOTOLUIDIDE, alpha-(DIMETHYLAMINO)-4-HYDROXY-

C11H16N2O2 (208.1212)


   

Urea,N-(2-methoxyethyl)-N-(4-methylphenyl)-

Urea,N-(2-methoxyethyl)-N-(4-methylphenyl)-

C11H16N2O2 (208.1212)


   

5-Fluoro-2-(3-methyl-1-piperidinyl)aniline

5-Fluoro-2-(3-methyl-1-piperidinyl)aniline

C12H17FN2 (208.1376)


   

Benzoic acid, 3-amino-4-(dimethylamino)-, ethyl ester (9CI)

Benzoic acid, 3-amino-4-(dimethylamino)-, ethyl ester (9CI)

C11H16N2O2 (208.1212)


   

3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H16N2O2 (208.1212)


   

7-(2-Methyl-2-propanyl)spiro[3.5]nonane-1,3-dione

7-(2-Methyl-2-propanyl)spiro[3.5]nonane-1,3-dione

C13H20O2 (208.1463)


   

3,5-Dimethyl-1-adamantanecarboxylic acid

3,5-Dimethyl-1-adamantanecarboxylic acid

C13H20O2 (208.1463)


   
   

N-(4-Amino-2-methoxyphenyl)butanamide

N-(4-Amino-2-methoxyphenyl)butanamide

C11H16N2O2 (208.1212)


   

1-METHYL-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER

1-METHYL-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER

C10H17BN2O2 (208.1383)


   

(S)-2-Benzyloxymethyl-3-methylbutan-1-ol

(S)-2-Benzyloxymethyl-3-methylbutan-1-ol

C13H20O2 (208.1463)


   

1-[2-(4-Fluorophenyl)ethyl]piperazine

1-[2-(4-Fluorophenyl)ethyl]piperazine

C12H17FN2 (208.1376)


   

Phenol,2,6-bis[(dimethylamino)methyl]-

Phenol,2,6-bis[(dimethylamino)methyl]-

C12H20N2O (208.1576)


   

Peroxide,1,1-dimethylethyl 1-methyl-1-phenylethyl

Peroxide,1,1-dimethylethyl 1-methyl-1-phenylethyl

C13H20O2 (208.1463)


   

2-(2-fluorophenyl)-2-pyrrolidin-1-ylethanamine

2-(2-fluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H17FN2 (208.1376)


   

Cyclohexene-1-boronic acid pinacol ester

Cyclohexene-1-boronic acid pinacol ester

C12H21BO2 (208.1635)


   

6-phenylmethoxyhexan-1-ol

6-phenylmethoxyhexan-1-ol

C13H20O2 (208.1463)


   

tris(hydroxypropyl)phosphine

tris(hydroxypropyl)phosphine

C9H21O3P (208.1228)


   

Phenol,2,4-bis[(dimethylamino)methyl]-

Phenol,2,4-bis[(dimethylamino)methyl]-

C12H20N2O (208.1576)


   

2-METHOXY-5-MORPHOLINOANILINE

2-METHOXY-5-MORPHOLINOANILINE

C11H16N2O2 (208.1212)


   

3-Amino-N-isopropyl-4-methoxybenzamide

3-Amino-N-isopropyl-4-methoxybenzamide

C11H16N2O2 (208.1212)


   

(3S)-3-Hydroxy-β-ionone

(3S)-3-Hydroxy-β-ionone

C13H20O2 (208.1463)


   

3-BUTOXY-BENZOICACIDHYDRAZIDE

3-BUTOXY-BENZOICACIDHYDRAZIDE

C11H16N2O2 (208.1212)


   

Benzyl (3-aminopropyl)carbamate

Benzyl (3-aminopropyl)carbamate

C11H16N2O2 (208.1212)


   

3-Methyl-1H-pyrazole-4-boronic acid pinacol ester

3-Methyl-1H-pyrazole-4-boronic acid pinacol ester

C10H17BN2O2 (208.1383)


   

Nor Neostigmine

Nor Neostigmine

C11H16N2O2 (208.1212)


   

(4-(TERT-BUTOXYMETHYL)PHENYL)BORONIC ACID

(4-(TERT-BUTOXYMETHYL)PHENYL)BORONIC ACID

C11H17BO3 (208.1271)


   

tert-butyl N-anilinocarbamate

tert-butyl N-anilinocarbamate

C11H16N2O2 (208.1212)


   

1,1-DI(P-TOLYL)ETHYLENE

1,1-DI(P-TOLYL)ETHYLENE

C16H16 (208.1252)


   

Adamantan-1-yl-acetic acid hydrazide

Adamantan-1-yl-acetic acid hydrazide

C12H20N2O (208.1576)


   

Theaspirone

Theaspirone

C13H20O2 (208.1463)


Theaspirone a is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Theaspirone a is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Theaspirone a can be found in tea, which makes theaspirone a a potential biomarker for the consumption of this food product.

   

4-Hydroxy-β-damascone

4-Hydroxy-β-damascone

C13H20O2 (208.1463)


   

R-(-)-3-Hydroxy-β-ionone

R-(-)-3-Hydroxy-β-ionone

C13H20O2 (208.1463)


   

1,4,5,6,7,7a-Hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-2H-inden-2-one

1,4,5,6,7,7a-Hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-2H-inden-2-one

C13H20O2 (208.1463)


   

Tridecatrienoic acid

Tridecatrienoic acid

C13H20O2 (208.1463)


   

3-Oxo-4,5-dihydro-a-inone

3-Oxo-4,5-dihydro-a-inone

C13H20O2 (208.1463)


   

Tetramethylacenaphthylene

Tetramethylacenaphthylene

C16H16 (208.1252)


   

(6R,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one

(6R,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one

C13H20O2 (208.1463)


   

(S)-(6-((tetrahydrofuran-3-yloxy)methyl)pyridin-2-yl)methanamine

(S)-(6-((tetrahydrofuran-3-yloxy)methyl)pyridin-2-yl)methanamine

C11H16N2O2 (208.1212)


   

Pyridin-4-yl-glycine tert-butyl ester

Pyridin-4-yl-glycine tert-butyl ester

C11H16N2O2 (208.1212)


   

(R)-5-(benzyloxy)-4-Methylpentan-1-ol

(R)-5-(benzyloxy)-4-Methylpentan-1-ol

C13H20O2 (208.1463)


   

2-[2-(diethylamino)ethoxy]aniline

2-[2-(diethylamino)ethoxy]aniline

C12H20N2O (208.1576)


   

1-(2-MORPHOLIN-4-YL-ETHYL)-1H-PYRROLE-2-CARBALDEHYDE

1-(2-MORPHOLIN-4-YL-ETHYL)-1H-PYRROLE-2-CARBALDEHYDE

C11H16N2O2 (208.1212)


   

N-t-Butyl-2-methoxynicotinamide

N-t-Butyl-2-methoxynicotinamide

C11H16N2O2 (208.1212)


   

2-[4-(2-methylpropyl)phenyl]propane-1,2-diol

2-[4-(2-methylpropyl)phenyl]propane-1,2-diol

C13H20O2 (208.1463)


   

4-ISOBUTOXY-BENZOIC ACID HYDRAZIDE

4-ISOBUTOXY-BENZOIC ACID HYDRAZIDE

C11H16N2O2 (208.1212)


   

6-amino-5-(piperidin-1-ylmethyl)-1H-pyrimidin-2-one

6-amino-5-(piperidin-1-ylmethyl)-1H-pyrimidin-2-one

C10H16N4O (208.1324)


   

N-(2-Methoxypyridin-3-yl)pivalamide

N-(2-Methoxypyridin-3-yl)pivalamide

C11H16N2O2 (208.1212)


   

METHYL 2-(1-ADAMANTYL)ACETATE

METHYL 2-(1-ADAMANTYL)ACETATE

C13H20O2 (208.1463)


   

2-(tert-Butoxymethyl)phenylboronic acid

2-(tert-Butoxymethyl)phenylboronic acid

C11H17BO3 (208.1271)


   

4-(1 3 3-trimethyl-7-oxabicyclo(4.1.0)h&

4-(1 3 3-trimethyl-7-oxabicyclo(4.1.0)h&

C13H20O2 (208.1463)


   

1-(2-Fluorobenzyl)homopiperazine

1-(2-Fluorobenzyl)homopiperazine

C12H17FN2 (208.1376)


   

N-Boc-3-Aminomethylpyridine

N-Boc-3-Aminomethylpyridine

C11H16N2O2 (208.1212)


   

7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

C11H16N2O2 (208.1212)


   

9-Propyl-9H-fluorene

9-Propyl-9H-fluorene

C16H16 (208.1252)


   

5-tert-Butyl-2-Methoxybenzeneboronic acid

5-tert-Butyl-2-Methoxybenzeneboronic acid

C11H17BO3 (208.1271)


   
   

3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine

3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine

C12H20N2O (208.1576)


   

1,1-DIPHENYLBUT-1-ENE

1,1-DIPHENYLBUT-1-ENE

C16H16 (208.1252)


   

2-Methyl-2-propanyl (4-aminophenyl)carbamate

2-Methyl-2-propanyl (4-aminophenyl)carbamate

C11H16N2O2 (208.1212)


   

4,6-Dimethyl-5-morpholin-4-ylpyrimidin-2-amine

4,6-Dimethyl-5-morpholin-4-ylpyrimidin-2-amine

C10H16N4O (208.1324)


   

3-Pyridinecarboxylicacid,2-[(3-methylbutyl)amino]-(9CI)

3-Pyridinecarboxylicacid,2-[(3-methylbutyl)amino]-(9CI)

C11H16N2O2 (208.1212)


   

1-(4-fluorobenzyl)-1,4-diazepane

1-(4-fluorobenzyl)-1,4-diazepane

C12H17FN2 (208.1376)


   

1-(4-aminophenyl)-2-(tert-butylamino)ethanol

1-(4-aminophenyl)-2-(tert-butylamino)ethanol

C12H20N2O (208.1576)


   

N1-(Phenylmethoxy)-1,5-pentanediamine

N1-(Phenylmethoxy)-1,5-pentanediamine

C12H20N2O (208.1576)


   

beta-ionone epoxide

5,6-Epoxy-7-megastigmen-9-one

C13H20O2 (208.1463)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids (5r,6s)-5,6-epoxy-7-megastigmen-9-one, also known as 5,6-epoxy-beta-ionone, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (5r,6s)-5,6-epoxy-7-megastigmen-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (5r,6s)-5,6-epoxy-7-megastigmen-9-one can be found in garden tomato and root vegetables, which makes (5r,6s)-5,6-epoxy-7-megastigmen-9-one a potential biomarker for the consumption of these food products.

   

1-methyl-3-phenylindan

1-methyl-3-phenylindan

C16H16 (208.1252)


   

Safrazine

Safrazine

C11H16N2O2 (208.1212)


C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

   

3-Hydroxy-alpha-ionone

3-Hydroxy-alpha-ionone

C13H20O2 (208.1463)


   

2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-

2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-

C11H16N2O2 (208.1212)


   

4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol

4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol

C13H20O2 (208.1463)


   

L-Phenylalanine betaine cation

L-Phenylalanine betaine cation

C12H18NO2+ (208.1337)


   

N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide

N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide

C12H20N2O (208.1576)


   

(+)-Isopilocarpine

(+)-Isopilocarpine

C11H16N2O2 (208.1212)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics

   

(-)-Isopilocarpine

(-)-Isopilocarpine

C11H16N2O2 (208.1212)


   

(3,3-Diethoxypropyl)benzene

(3,3-Diethoxypropyl)benzene

C13H20O2 (208.1463)


   

Trimethyl(3-phenylpropoxy)silane

Trimethyl(3-phenylpropoxy)silane

C12H20OSi (208.1283)


   

Silane, trimethyl(1-methyl-1-phenylethoxy)-

Silane, trimethyl(1-methyl-1-phenylethoxy)-

C12H20OSi (208.1283)


   

Ethylenediamine, N-phenyl-N-(trimethylsilyl)-

Ethylenediamine, N-phenyl-N-(trimethylsilyl)-

C11H20N2Si (208.1396)


   

1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-1,3-butanedione

1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-1,3-butanedione

C13H20O2 (208.1463)


   

2-(Trimethylsilylmethyl)benzyl methyl ether

2-(Trimethylsilylmethyl)benzyl methyl ether

C12H20OSi (208.1283)


   

Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-

Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-

C12H20N2O (208.1576)


   

(1R,4R)-1-(3-Oxo-1-butenyl)-2,6,6-trimethyl-4-hydroxy-2-cyclohexene

(1R,4R)-1-(3-Oxo-1-butenyl)-2,6,6-trimethyl-4-hydroxy-2-cyclohexene

C13H20O2 (208.1463)


   
   

4,5-Dihydro-8,9-dehydrotheaspirone

4,5-Dihydro-8,9-dehydrotheaspirone

C13H20O2 (208.1463)


   

cis-1,2-Diphenylcyclobutane

cis-1,2-diphenylcyclobutane-d5

C16H16 (208.1252)


   

(-)-Pilocarpine

(-)-Pilocarpine

C11H16N2O2 (208.1212)


   

4-(3-Hydroxy-1-butynyl)-3,5,5-trimethyl-2-cyclohexen-1-ol

4-(3-Hydroxy-1-butynyl)-3,5,5-trimethyl-2-cyclohexen-1-ol

C13H20O2 (208.1463)


   

N-methylheliamine(1+)

N-methylheliamine(1+)

C12H18NO2+ (208.1337)


   

4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid

4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid

C13H20O2 (208.1463)


   

1-(4-Methoxyphenyl)-4-methylpentan-3-ol

1-(4-Methoxyphenyl)-4-methylpentan-3-ol

C13H20O2 (208.1463)


   

1-Carboxylato-2-phenyl-N,N,N-trimethylethan-1-aminium

1-Carboxylato-2-phenyl-N,N,N-trimethylethan-1-aminium

C12H18NO2+ (208.1337)


   

(R)-2-(Trimethylaminio)-3-phenylpropanoic acid

(R)-2-(Trimethylaminio)-3-phenylpropanoic acid

C12H18NO2+ (208.1337)


   

(1E,2E,4E,7E)-1-[(oxidoamino)hydrazinylidene]undeca-2,4,7-triene

(1E,2E,4E,7E)-1-[(oxidoamino)hydrazinylidene]undeca-2,4,7-triene

C11H18N3O- (208.145)


   

2-Propylphenol, TMS derivative

2-Propylphenol, TMS derivative

C12H20OSi (208.1283)


   

4-Isopropylphenol, TMS derivative

4-Isopropylphenol, TMS derivative

C12H20OSi (208.1283)


   

Betahistine, TMS derivative

Betahistine, TMS derivative

C11H20N2Si (208.1396)


   

[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate

[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate

C13H20O2 (208.1463)


   

Propanal benzyl isopropyl acetal

Propanal benzyl isopropyl acetal

C13H20O2 (208.1463)


   

1-(Trimethylsilylmethyl)-4-isopropenylcyclohexene

1-(Trimethylsilylmethyl)-4-isopropenylcyclohexene

C13H24Si (208.1647)


   

4-Isopropyl-3-methyleneoctahydro-2H-cyclohepta[b]furan-2-one

4-Isopropyl-3-methyleneoctahydro-2H-cyclohepta[b]furan-2-one

C13H20O2 (208.1463)


   

4-Dimethylamino-L-phenylalanine

4-Dimethylamino-L-phenylalanine

C11H16N2O2 (208.1212)


   

2,5,8,11-Tetraoxatridecan-13-ol

Tetraethylene glycol monomethyl ether

C9H20O5 (208.1311)


   

leafy acetal

(2-(1-Propoxyethoxy)ethyl)benzene

C13H20O2 (208.1463)


   

4-Heptyloxyphenol

4-(Heptyloxy)phenol

C13H20O2 (208.1463)


   

2,4-Diphenyl-1-butene

3-phenylbut-3-enylbenzene

C16H16 (208.1252)


   

(3R)-hydroxy-beta-ionone

(3R)-hydroxy-beta-ionone

C13H20O2 (208.1463)


   

1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

C13H20O2 (208.1463)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

3-oxo-alpha-ionol

3-oxo-alpha-ionol

C13H20O2 (208.1463)


   

1,3,7,7-Tetramethyl-2-oxabicyclo[4.4.0]-5-decen-9-one

2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one

C13H20O2 (208.1463)


   

1,2-diphenylcyclobutane

1,2-diphenylcyclobutane

C16H16 (208.1252)


   

2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol

2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol

C13H20O2 (208.1463)


   

beta-ionone 5,6-epoxide

beta-ionone 5,6-epoxide

C13H20O2 (208.1463)


An apo carotenoid monoterpenoid that is beta-ionone substituted by an epoxy group across positions 5 and 6.

   

Heptyloxyphenol

Heptyloxyphenol

C13H20O2 (208.1463)


   

(4e)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one

(4e)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

[2-(benzoyloxy)ethyl]trimethylazanium

[2-(benzoyloxy)ethyl]trimethylazanium

[C12H18NO2]+ (208.1337)


   

3-[(1e)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

3-[(1e)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

(4z)-4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one

(4z)-4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

2-(3-hydroxybut-1-en-1-yl)-2,6,6-trimethylcyclohex-3-en-1-one

2-(3-hydroxybut-1-en-1-yl)-2,6,6-trimethylcyclohex-3-en-1-one

C13H20O2 (208.1463)


   

2-isopropyl-3-methoxy-5-(sec-butyl)pyrazine

2-isopropyl-3-methoxy-5-(sec-butyl)pyrazine

C12H20N2O (208.1576)


   

1-[4-(hydroxymethyl)phenyl]hexan-1-ol

1-[4-(hydroxymethyl)phenyl]hexan-1-ol

C13H20O2 (208.1463)


   

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate

C13H20O2 (208.1463)


   

3-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

3-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

(3r,5z,8z)-undeca-1,5,8-trien-3-yl acetate

(3r,5z,8z)-undeca-1,5,8-trien-3-yl acetate

C13H20O2 (208.1463)


   

(3e)-4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

(3e)-4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

C13H20O2 (208.1463)


   

(3as,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

(3as,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

C13H20O2 (208.1463)


   

11,12,13-trinor-7-calamenone

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN000249","Ingredient_name": "11,12,13-trinor-7-calamenone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1(CCC2C13CC(CC3O)C(=O)C2)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9417","PubChem_id": "101418274","DrugBank_id": "NA"}

   

1,6,8-hexadecatriene-10,12,14-triyne

NA

C16H16 (208.1252)


{"Ingredient_id": "HBIN001776","Ingredient_name": "1,6,8-hexadecatriene-10,12,14-triyne","Alias": "NA","Ingredient_formula": "C16H16","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCC=C","Ingredient_weight": "208.3","OB_score": "NA","CAS_id": "3513-88-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9495","PubChem_id": "13964097","DrugBank_id": "NA"}

   

3-hydroxy-β-ionone

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN008699","Ingredient_name": "3-hydroxy-\u03b2-ionone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15863","TCMID_id": "10232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN009558","Ingredient_name": "(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(CC(C1C=CC(=O)C)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10365","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(4S, R′)-4-hydroxy-4-(3′-hydroxy-1′-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3′-O-β-D-glucopyranoside

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN010914","Ingredient_name": "(4S, R\u2032)-4-hydroxy-4-(3\u2032-hydroxy-1\u2032-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3\u2032-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN012328","Ingredient_name": "(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10366","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "73354989","DrugBank_id": "NA"}

   

(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one

(6R,7E)-9-hydroxy-4,7-megastigmadien-3-one

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN012776","Ingredient_name": "(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one","Alias": "(6R,7E)-9-hydroxy-4,7-megastigmadien-3-one","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42846;42841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN012778","Ingredient_name": "(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10368","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN012839","Ingredient_name": "(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101338768","DrugBank_id": "NA"}

   

(7 e,9 ξ)-9-hydroxy-5,7-megastigmadien-4-one

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN013166","Ingredient_name": "(7 e,9 \u03be)-9-hydroxy-5,7-megastigmadien-4-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10369","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(+)-ammodendrine

NA

C12H20N2O (208.1576)


{"Ingredient_id": "HBIN015870","Ingredient_name": "(+)-ammodendrine","Alias": "NA","Ingredient_formula": "C12H20N2O","Ingredient_Smile": "CC(=O)N1CCCC(=C1)C2CCCCN2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1068","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

β-ionone epoxide

NA

C13H20O2 (208.1463)


{"Ingredient_id": "HBIN018165","Ingredient_name": "\u03b2-ionone epoxide","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC(=O)C=CC12C(CCCC1(O2)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-methyl-7-methylidene-octahydro-1h-naphthalene-1-carboxylic acid

4-methyl-7-methylidene-octahydro-1h-naphthalene-1-carboxylic acid

C13H20O2 (208.1463)


   

(2r,6s)-2,4,4-trimethyl-6-[(1z)-3-oxobut-1-en-1-yl]cyclohexan-1-one

(2r,6s)-2,4,4-trimethyl-6-[(1z)-3-oxobut-1-en-1-yl]cyclohexan-1-one

C13H20O2 (208.1463)


   

nopol acetate

nopol acetate

C13H20O2 (208.1463)


   

(2r)-2-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohex-3-en-1-one

(2r)-2-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohex-3-en-1-one

C13H20O2 (208.1463)


   

(6e,8e)-hexadeca-1,6,8-trien-10,12,14-triyne

(6e,8e)-hexadeca-1,6,8-trien-10,12,14-triyne

C16H16 (208.1252)


   

(3s,5z,8z)-undeca-1,5,8-trien-3-yl acetate

(3s,5z,8z)-undeca-1,5,8-trien-3-yl acetate

C13H20O2 (208.1463)


   

(1s,2s,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

(1s,2s,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

C12H20N2O (208.1576)


   

2-butyl-5-propylbenzene-1,3-diol

2-butyl-5-propylbenzene-1,3-diol

C13H20O2 (208.1463)


   

hexadeca-1,6,8-trien-10,12,14-triyne

hexadeca-1,6,8-trien-10,12,14-triyne

C16H16 (208.1252)


   

(2e)-1-[(3s)-3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

(2e)-1-[(3s)-3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

C13H20O2 (208.1463)


   

(4z)-4-hydroxy-2,10-dimethylundec-4-en-7-yn-6-one

(4z)-4-hydroxy-2,10-dimethylundec-4-en-7-yn-6-one

C13H20O2 (208.1463)


   

(2s,6r)-2,4,4-trimethyl-6-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

(2s,6r)-2,4,4-trimethyl-6-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

C13H20O2 (208.1463)


   

(4r)-3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one

(4r)-3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one

C13H20O2 (208.1463)


   

4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

3-(3-hydroxybut-1-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-one

3-(3-hydroxybut-1-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

(5e)-6,10-dimethylundeca-5,9-diene-2,8-dione

(5e)-6,10-dimethylundeca-5,9-diene-2,8-dione

C13H20O2 (208.1463)


   

(1s,2r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

(1s,2r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

C12H20N2O (208.1576)


   

1-[(3ar,4r,5s,7ar)-5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl]ethanone

1-[(3ar,4r,5s,7ar)-5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl]ethanone

C13H20O2 (208.1463)


   

5-heptylbenzene-1,3-diol

5-heptylbenzene-1,3-diol

C13H20O2 (208.1463)


   

4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

C13H20O2 (208.1463)


   

(4s,5s)-3,3,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

(4s,5s)-3,3,5-trimethyl-4-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

C13H20O2 (208.1463)


   

(1s,9s)-2,2,9-trimethyl-8,12-dioxatricyclo[7.2.1.0¹,⁶]dodec-5-ene

(1s,9s)-2,2,9-trimethyl-8,12-dioxatricyclo[7.2.1.0¹,⁶]dodec-5-ene

C13H20O2 (208.1463)


   

3-hexyl-5-methoxyphenol

3-hexyl-5-methoxyphenol

C13H20O2 (208.1463)


   

(4r)-4-[(1e,3s)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

(4r)-4-[(1e,3s)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

1-[4-(sec-butyl)phenyl]propane-1,2-diol

1-[4-(sec-butyl)phenyl]propane-1,2-diol

C13H20O2 (208.1463)


   

2-isopropyl-3-methoxy-5-(2-methylpropyl)pyrazine

2-isopropyl-3-methoxy-5-(2-methylpropyl)pyrazine

C12H20N2O (208.1576)


   

2,4,4-trimethyl-6-(3-oxobut-1-en-1-yl)cyclohexan-1-one

2,4,4-trimethyl-6-(3-oxobut-1-en-1-yl)cyclohexan-1-one

C13H20O2 (208.1463)


   

undeca-1,5,8-trien-3-yl acetate

undeca-1,5,8-trien-3-yl acetate

C13H20O2 (208.1463)


   

(4z)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one

(4z)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

(3e)-4-[(1r,4r)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

(3e)-4-[(1r,4r)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

C13H20O2 (208.1463)


   

4-hydroxy-2,10-dimethylundec-4-en-7-yn-6-one

4-hydroxy-2,10-dimethylundec-4-en-7-yn-6-one

C13H20O2 (208.1463)


   

(1s)-4-[(3s)-3-hydroxybut-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

(1s)-4-[(3s)-3-hydroxybut-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

C13H20O2 (208.1463)


   

n-[(1e,9ar)-octahydroquinolizin-1-ylidenemethyl]ethanimidic acid

n-[(1e,9ar)-octahydroquinolizin-1-ylidenemethyl]ethanimidic acid

C12H20N2O (208.1576)


   

2-[(2r,5r)-5-isopropyl-2-methyloxolan-2-yl]-5-methylfuran

2-[(2r,5r)-5-isopropyl-2-methyloxolan-2-yl]-5-methylfuran

C13H20O2 (208.1463)


   

(3e)-4-[(3s)-3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-one

(3e)-4-[(3s)-3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-one

C13H20O2 (208.1463)


   

(2z)-1-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

(2z)-1-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

C13H20O2 (208.1463)


   

(4r)-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

(4r)-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

(2s,3s,4s)-4-methyl-1-phenylhexane-2,3-diol

(2s,3s,4s)-4-methyl-1-phenylhexane-2,3-diol

C13H20O2 (208.1463)


   

11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

C12H20N2O (208.1576)


   

(2e,4e)-1-[(2r,5s)-2,5-dimethylpiperazin-1-yl]hexa-2,4-dien-1-one

(2e,4e)-1-[(2r,5s)-2,5-dimethylpiperazin-1-yl]hexa-2,4-dien-1-one

C12H20N2O (208.1576)


   

3,6-bis(2-methylpropyl)-1h-pyrazin-2-one

3,6-bis(2-methylpropyl)-1h-pyrazin-2-one

C12H20N2O (208.1576)


   

(2r,3r,4r)-2,3,4-trimethyl-3-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

(2r,3r,4r)-2,3,4-trimethyl-3-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

C13H20O2 (208.1463)


   

(2s,4e,6e,8r,10e)-trideca-4,6,10,12-tetraene-2,8-diol

(2s,4e,6e,8r,10e)-trideca-4,6,10,12-tetraene-2,8-diol

C13H20O2 (208.1463)


   

4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate

4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate

C13H20O2 (208.1463)


   

(2e)-1-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

(2e)-1-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-2-en-1-one

C13H20O2 (208.1463)


   

1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

C13H20O2 (208.1463)


   

4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one

4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

2-(dimethylamino)-6-hydroxy-7,9-dimethyl-8h-purin-8-yl

2-(dimethylamino)-6-hydroxy-7,9-dimethyl-8h-purin-8-yl

C9H14N5O (208.1198)


   

4-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

2-hexyl-5-methylbenzene-1,3-diol

2-hexyl-5-methylbenzene-1,3-diol

C13H20O2 (208.1463)


   

trideca-4,6,10,12-tetraene-2,8-diol

trideca-4,6,10,12-tetraene-2,8-diol

C13H20O2 (208.1463)


   

1-[3-(piperidin-2-yl)-5,6-dihydro-4h-pyridin-1-yl]ethanone

1-[3-(piperidin-2-yl)-5,6-dihydro-4h-pyridin-1-yl]ethanone

C12H20N2O (208.1576)


   

(1r,4r,4as,8ar)-4-methyl-7-methylidene-octahydro-1h-naphthalene-1-carboxylic acid

(1r,4r,4as,8ar)-4-methyl-7-methylidene-octahydro-1h-naphthalene-1-carboxylic acid

C13H20O2 (208.1463)


   

(4e,6e,10e)-trideca-4,6,10,12-tetraene-2,8-diol

(4e,6e,10e)-trideca-4,6,10,12-tetraene-2,8-diol

C13H20O2 (208.1463)


   

2-[(2r,5s)-5-isopropyl-2-methyloxolan-2-yl]-5-methylfuran

2-[(2r,5s)-5-isopropyl-2-methyloxolan-2-yl]-5-methylfuran

C13H20O2 (208.1463)


   

6,10-dimethylundeca-5,9-diene-2,8-dione

6,10-dimethylundeca-5,9-diene-2,8-dione

C13H20O2 (208.1463)


   

6-methoxy-7,9-dimethyl-2-(methylimino)-3h-purin-7-ium

6-methoxy-7,9-dimethyl-2-(methylimino)-3h-purin-7-ium

[C9H14N5O]+ (208.1198)


   

n-(octahydroquinolizin-1-ylidenemethyl)ethanimidic acid

n-(octahydroquinolizin-1-ylidenemethyl)ethanimidic acid

C12H20N2O (208.1576)


   

(1s,2r)-1-{4-[(2s)-butan-2-yl]phenyl}propane-1,2-diol

(1s,2r)-1-{4-[(2s)-butan-2-yl]phenyl}propane-1,2-diol

C13H20O2 (208.1463)


   

1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol

1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol

C13H20O2 (208.1463)


   

β-ionone 5,6-epoxide

β-ionone 5,6-epoxide

C13H20O2 (208.1463)


   

(2e,4s)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate

(2e,4s)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate

C13H20O2 (208.1463)


   

(1s)-1-[(2r,7ar)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl]ethanol

(1s)-1-[(2r,7ar)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl]ethanol

C13H20O2 (208.1463)


   

(4s)-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

(4s)-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2 (208.1463)


   

deoxyaspergillic acid

deoxyaspergillic acid

C12H20N2O (208.1576)


   

3,3,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohexan-1-one

3,3,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohexan-1-one

C13H20O2 (208.1463)


   

2-[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl acetate

2-[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl acetate

C13H20O2 (208.1463)


   

1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one

C13H20O2 (208.1463)


   

(3ar,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

(3ar,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

C13H20O2 (208.1463)


   

4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

(3e)-4-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

(3e)-4-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

C13H20O2 (208.1463)


   

2,4,4-trimethyl-6-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

2,4,4-trimethyl-6-[(1e)-3-oxobut-1-en-1-yl]cyclohexan-1-one

C13H20O2 (208.1463)


   

(1r,6s,8r)-2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0¹,⁶]undec-4-ene

(1r,6s,8r)-2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0¹,⁶]undec-4-ene

C13H20O2 (208.1463)


   

2-methoxy-4-methyl-3-pentylphenol

2-methoxy-4-methyl-3-pentylphenol

C13H20O2 (208.1463)


   

(3as,4r,7s)-3a-hydroxy-4-isopropyl-7-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

(3as,4r,7s)-3a-hydroxy-4-isopropyl-7-methyl-4,5,6,7-tetrahydro-3h-inden-2-one

C13H20O2 (208.1463)


   

3,6-bis(sec-butyl)-1h-pyrazin-2-one

3,6-bis(sec-butyl)-1h-pyrazin-2-one

C12H20N2O (208.1576)