Chemical Formula: C13H18O

Chemical Formula C13H18O

Found 64 metabolite its formula value is C13H18O

beta-Damascenone

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene

C13H18O (190.1357578)


Beta-damascenone is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and a plant metabolite. It is an enone, an apo carotenoid monoterpenoid and a cyclic monoterpene ketone. Damascenone is a natural product found in Vitis rotundifolia, Vitis labrusca, and other organisms with data available. 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one is a metabolite found in or produced by Saccharomyces cerevisiae. trans-beta-damascenone is a metabolite found in or produced by Saccharomyces cerevisiae. Damascenones are a series of closely related chemical compounds that are components of a variety of essential oils. The damascenones belong to a family of chemicals known as rose ketones, which also includes damascones and ionones. beta-Damascenone is a major contributor to the aroma of roses, despite its very low concentration, and is an important fragrance chemical used in perfumery. [Wikipedia] From Rosa damascena and many other sources. 3,5,8-Megastigmatrien-7-one is found in many foods, some of which are herbs and spices, tea, common grape, and green vegetables. A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone.

   

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

1,4,5,7a-tetrahydro-1,4,4,7a-Tetramethyl-2H-inden-2-one, 9ci

C13H18O (190.1357578)


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

   

Megastigmatrienone

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

C13H18O (190.1357578)


Megastigmatrienone belongs to the family of Ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).

   

xi-3-(4-Isopropylphenyl)-2-methylpropanal

2-methyl-3-[4-(propan-2-yl)phenyl]propanal

C13H18O (190.1357578)


3-(4-Isopropylphenyl)-2-methylpropanal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").

   

dehydro-beta-Ionone

(3E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one

C13H18O (190.1357578)


dehydro-beta-Ionone belongs to the family of Enones. These are compounds containing the enone functional group, with the structure RC(=O)CR

   

2-(3-Phenylpropyl)tetrahydrofuran

tetrahydro-2-(3-Phenylpropyl)furan, 9ci

C13H18O (190.1357578)


2-(3-Phenylpropyl)tetrahydrofuran is a flavouring ingredien Flavouring ingredient

   

Heptanophenone

1-Phenyl-1-heptanone

C13H18O (190.1357578)


   

bisabolene-1-one

bisabolene-1-one

C13H18O (190.1357578)


   

3-buta-1,3-dienyl-2,4,4-trimethylcyclohex-2-en-1-one

3-buta-1,3-dienyl-2,4,4-trimethylcyclohex-2-en-1-one

C13H18O (190.1357578)


   
   

(5-Isopropyl-2-methyl-phenyl)-aceton|(5-isopropyl-2-methyl-phenyl)-acetone|Methyl-2-methyl-5-isopropylbenzylketon

(5-Isopropyl-2-methyl-phenyl)-aceton|(5-isopropyl-2-methyl-phenyl)-acetone|Methyl-2-methyl-5-isopropylbenzylketon

C13H18O (190.1357578)


   

Megastigmatrienone

Megastigmatrienone

C13H18O (190.1357578)


   

4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one

4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one

C13H18O (190.1357578)


   

Damascenone

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-

C13H18O (190.1357578)


Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone.

   

FEMA 2898

tetrahydro-2-(3-Phenylpropyl)furan, 9ci

C13H18O (190.1357578)


   

2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien

1,4,5,7a-tetrahydro-1,4,4,7a-Tetramethyl-2H-inden-2-one, 9ci

C13H18O (190.1357578)


   

xi-3-(4-Isopropylphenyl)-2-methylpropanal

2-methyl-3-[4-(propan-2-yl)phenyl]propanal

C13H18O (190.1357578)


   

Dicyclopentadiene, allyl alcohol polymer

Dicyclopentadiene, allyl alcohol polymer

C13H18O (190.1357578)


   

Cyclamen aldehyde

3-(4-Isopropylphenyl)-2-methylpropanal

C13H18O (190.1357578)


It is used as a food additive. Cyclamen aldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=103-95-7 (retrieved 2024-07-09) (CAS RN: 103-95-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Benzene,1-cyclohexyl-4-methoxy-

Benzene,1-cyclohexyl-4-methoxy-

C13H18O (190.1357578)


   

1,5-DI-TERT-BUTYL-1,4-PENTADIYN-3-ONE

1,5-DI-TERT-BUTYL-1,4-PENTADIYN-3-ONE

C13H18O (190.1357578)


   

2-Pentanone,4-methyl-4-(4-methylphenyl)-

2-Pentanone,4-methyl-4-(4-methylphenyl)-

C13H18O (190.1357578)


   

1-(4-butan-2-ylphenyl)propan-1-one

1-(4-butan-2-ylphenyl)propan-1-one

C13H18O (190.1357578)


   

1-Propanone,1-[4-(1,1-dimethylethyl)phenyl]-

1-Propanone,1-[4-(1,1-dimethylethyl)phenyl]-

C13H18O (190.1357578)


   

2-(4-ISOBUTYRYLPHENYL)PROPANE

2-(4-ISOBUTYRYLPHENYL)PROPANE

C13H18O (190.1357578)


   

3-(4-Isopropyl-2-methylphenyl)propanal

3-(4-Isopropyl-2-methylphenyl)propanal

C13H18O (190.1357578)


   

3-[3-(2-Methyl-2-propanyl)phenyl]propanal

3-[3-(2-Methyl-2-propanyl)phenyl]propanal

C13H18O (190.1357578)


   

Bourgeonal

3-(4-Tert-butylphenyl)propanal

C13H18O (190.1357578)


   

3-(4-Ethylphenyl)-2,2-dimethylpropanal

3-(4-Ethylphenyl)-2,2-dimethylpropanal

C13H18O (190.1357578)


   

1-(4-tert-butylphenyl)propan-2-one

1-(4-tert-butylphenyl)propan-2-one

C13H18O (190.1357578)


   

2-Cyclohexyl-5-methylphenol

2-Cyclohexyl-5-methylphenol

C13H18O (190.1357578)


   
   

2,2,4,6,7-Pentamethyldihydrobenzofuran

2,2,4,6,7-Pentamethyldihydrobenzofuran

C13H18O (190.1357578)


   

1-[4-(2-methylpropyl)phenyl]propan-1-one

1-[4-(2-methylpropyl)phenyl]propan-1-one

C13H18O (190.1357578)


   

4-(4-ISOPROPYLPHENYL)BUTAN-2-ONE

4-(4-ISOPROPYLPHENYL)BUTAN-2-ONE

C13H18O (190.1357578)


   

(S)-1-[4-(2-Methylbutyl)phenyl]ethanone

(S)-1-[4-(2-Methylbutyl)phenyl]ethanone

C13H18O (190.1357578)


   

Phenol,2-cyclohexyl-4-methyl-

Phenol,2-cyclohexyl-4-methyl-

C13H18O (190.1357578)


   

2-(4-isobutylphenyl)propionaldehyde

2-(4-isobutylphenyl)propionaldehyde

C13H18O (190.1357578)


   

4-METHYL-1-PHENYL-HEX-5-EN-3-OL

4-METHYL-1-PHENYL-HEX-5-EN-3-OL

C13H18O (190.1357578)


   

2,3,4,5,6-pentamethylacetophenone

2,3,4,5,6-pentamethylacetophenone

C13H18O (190.1357578)


   

Benzene,1-cyclohexyl-2-methoxy-

Benzene,1-cyclohexyl-2-methoxy-

C13H18O (190.1357578)


   

Cyclohexanol,1-(phenylmethyl)-

Cyclohexanol,1-(phenylmethyl)-

C13H18O (190.1357578)


   

cyclohexyl(phenyl)methanol

cyclohexyl(phenyl)methanol

C13H18O (190.1357578)


   

(R)-(+)-1-BENZYLOXY-BUTANE-2-OL

(R)-(+)-1-BENZYLOXY-BUTANE-2-OL

C13H18O (190.1357578)


   

4-N-HEXYLBENZALDEHYDE

4-N-HEXYLBENZALDEHYDE

C13H18O (190.1357578)


   

4-Pentylacetophenone

4-Pentylacetophenone

C13H18O (190.1357578)


   

1-Phenyl-2-heptanone

1-Phenyl-2-heptanone

C13H18O (190.1357578)


   
   

(4-Phenylcyclohexyl)methanol

(4-Phenylcyclohexyl)methanol

C13H18O (190.1357578)


   

3-[4-(2-methylpropyl)phenyl]propanal

3-[4-(2-methylpropyl)phenyl]propanal

C13H18O (190.1357578)


   

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

C13H18O (190.1357578)


   

5-Methyl-5-phenylhexan-3-one

5-Methyl-5-phenylhexan-3-one

C13H18O (190.1357578)


   

2-(4-tert-Butylphenyl)propanal

2-(4-tert-Butylphenyl)propanal

C13H18O (190.1357578)


   

alpha-[(Z)-2-Hexenyl]benzenemethanol

alpha-[(Z)-2-Hexenyl]benzenemethanol

C13H18O (190.1357578)


   

10-Isopropenyl-3,7-cyclodecadien-1-one

10-Isopropenyl-3,7-cyclodecadien-1-one

C13H18O (190.1357578)


   

2-phenyl propyl tetrahydrofuran

2-(3-Phenylpropyl)tetrahydrofuran

C13H18O (190.1357578)


   

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

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

C13H18O (190.1357578)


   

β-damascenone

NA

C13H18O (190.1357578)


{"Ingredient_id": "HBIN018046","Ingredient_name": "\u03b2-damascenone","Alias": "NA","Ingredient_formula": "C13H18O","Ingredient_Smile": "CC=CC(=O)C1=C(C=CCC1(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37226","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl-

(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one

C13H18O (190.1357578)


{"Ingredient_id": "HBIN018462","Ingredient_name": "Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl-","Alias": "(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one","Ingredient_formula": "C13H18O","Ingredient_Smile": "CC1(CC=C2CCCC2=CC(=O)C1)C","Ingredient_weight": "190.28 g/mol","OB_score": "46.50396681","CAS_id": "NA","SymMap_id": "SMIT13928","TCMID_id": "NA","TCMSP_id": "MOL013249","TCM_ID_id": "NA","PubChem_id": "5372011","DrugBank_id": "NA"}

   

1-ethyl-4-[(3-methylbut-2-en-1-yl)oxy]benzene

1-ethyl-4-[(3-methylbut-2-en-1-yl)oxy]benzene

C13H18O (190.1357578)


   

7-phenylheptan-3-one

7-phenylheptan-3-one

C13H18O (190.1357578)


   

(1s,7as)-1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one

(1s,7as)-1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one

C13H18O (190.1357578)


   

(1s,2s,8r)-2-methyl-7-methylidenetricyclo[6.2.1.0¹,⁵]undecan-6-one

(1s,2s,8r)-2-methyl-7-methylidenetricyclo[6.2.1.0¹,⁵]undecan-6-one

C13H18O (190.1357578)


   

megastigmatrienone a

megastigmatrienone a

C13H18O (190.1357578)