Exact Mass: 178.09444839999998

Exact Mass Matches: 178.09444839999998

Found 500 metabolites which its exact mass value is equals to given mass value 178.09444839999998, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6-hydroxynicotine

6-Hydroxynicotine (R)

C10H14N2O (178.1106074)


   

Digitalose

6-Deoxy-3-O-methylgalactose

C7H14O5 (178.08411940000002)


   

Streptamine

1,2,3,5-Cyclohexanetetrol, 4,6-diamino-

C6H14N2O4 (178.0953524)


   

Methyleugenol

METHYLEUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]

C11H14O2 (178.09937440000002)


Methyleugenol, also known as 4-allylveratrole or eugenol methyl, belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. FDA noted the action was despite its continuing stance that this substance does not pose a risk to public health under the conditions of its intended use. Methyleugenol is a sweet, anise, and apricot tasting compound. Methyleugenol is found, on average, in the highest concentration within a few different foods, such as allspices, tarragons, and sweet bay and in a lower concentration in sweet basils, rosemaries, and hyssops. Methyleugenol has also been detected, but not quantified, in several different foods, such as soy beans, evergreen blackberries, muskmelons, citrus, and pomes. This could make methyleugenol a potential biomarker for the consumption of these foods. As of October 2018, the US FDA withdrew authorization for the use of methyl eugenol as a synthetic flavoring substance for use in food because petitioners provided data demonstrating that these additives induce cancer in laboratory animals. Methyleugenol is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Methyl eugenol (allylveratrol) is a natural chemical compound classified as a phenylpropene, a type of phenylpropanoid. It is the methyl ether of eugenol and is important to insect behavior and pollination. Their ability to attract insects, particularly Bactrocera fruit flies was first noticed in 1915 by F. M. Howlett. The compound may have evolved in response to pathogens, as methyl eugenol has some antifungal activity. Methyl eugenol is found in a number of plants (over 450 species from 80 families including both angiosperm and gymnosperm families) and has a role in attracting pollinators. About 350 plant species have them as a component of floral fragrance. Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992) O-methyleugenol is a phenylpropanoid. It is functionally related to a eugenol. Methyleugenol is a natural product found in Vitis rotundifolia, Elettaria cardamomum, and other organisms with data available. Methyleugenol is a yellowish, oily, naturally occurring liquid with a clove-like aroma and is present in many essential oils. Methyleugenol is used as a flavoring agent, as a fragrance and as an anesthetic in rodents. Methyleugenol is mutagenic in animals and is reasonably anticipated to be a human carcinogen based on evidence of carcinogenicity in animals. (NCI05) Methyleugenol is found in allspice. Methyleugenol is present in many essential oils, e.g. nutmeg, mace and also many fruits, e.g. apple, banana, orange juice or peel, grapefruit, bilberryMethyleugenol has been shown to exhibit anti-nociceptive function (A7914).Methyleugenol belongs to the family of Anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof. Present in many essential oils, e.g. nutmeg, mace and also many fruits, e.g. apple, banana, orange juice or peel, grapefruit, bilberry. Methyleugenol is found in many foods, some of which are wild carrot, sweet basil, citrus, and fruits. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Methyl Eugenol, a phenylpropanoid chemical in leaves, fruits, stems, and/or roots, may be released when that corresponding part of a plant is damaged as a result of feeding by an herbivore. Methyl Eugenol is used for male annihilation of the oriental fruit fly[1]. Methyl Eugenol is a bait that has oral activity against oriental fruit fly (Hendel).Methyl Eugenol has anti-cancer and anti-inflammatory activities. Methyl Eugenol can induce Autophagy in cells. Methyl Eugenol can be used in the study of intestinal ischemia/reperfusion injury[1][2][3]. Methyl Eugenol, a phenylpropanoid chemical in leaves, fruits, stems, and/or roots, may be released when that corresponding part of a plant is damaged as a result of feeding by an herbivore. Methyl Eugenol is used for male annihilation of the oriental fruit fly[1].

   

Methylisoeugenol

1,2-dimethoxy-4-prop-1-enylbenzene

C11H14O2 (178.09937440000002)


Cis-isomethyleugenol is an isomethyleugenol. Isoeugenyl methyl ether is a natural product found in Platostoma africanum, Asarum rigescens, and other organisms with data available. Constituent of essential oils. Flavouring ingredient. Methylisoeugenol is found in many foods, some of which are star anise, sweet basil, wild carrot, and tarragon. Methylisoeugenol is found in carrot. Methylisoeugenol is a constituent of essential oils. Methylisoeugenol is a flavouring ingredient. Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1]. Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1].

   

4-t-Butylbenzoic acid

p-tert-Butylbenzoic acid

C11H14O2 (178.09937440000002)


CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4630; ORIGINAL_PRECURSOR_SCAN_NO 4625 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4617; ORIGINAL_PRECURSOR_SCAN_NO 4616 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4640; ORIGINAL_PRECURSOR_SCAN_NO 4636 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4710; ORIGINAL_PRECURSOR_SCAN_NO 4706 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4650; ORIGINAL_PRECURSOR_SCAN_NO 4645 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4620

   

tert-Butyl benzoate

Benzoic acid,1,1-dimethylethyl ester

C11H14O2 (178.09937440000002)


   

3-Phenylpropyl acetate

laquo gammaraquo -Phenylpropyl acetate

C11H14O2 (178.09937440000002)


3-Phenylpropyl acetate is found in alcoholic beverages. 3-Phenylpropyl acetate is a flavouring ingredient. 3-Phenylpropyl acetate is present in guava fruit and peel, melon, rum and cassia leaf. 3-Phenylpropyl acetate is a flavouring ingredient. It is found in many foods, some of which are chinese cinnamon, fruits, ceylon cinnamon, and alcoholic beverages.

   
   

1-Phenylpropyl acetate

Benzenemethanol, a-ethyl-, 1-acetate

C11H14O2 (178.09937440000002)


   

3,5-Dimethoxyallylbenzene

3-(3,5-DIMETHOXYPHENYL)-1-PROPENE

C11H14O2 (178.09937440000002)


   

Pseudooxynicotine

4-(Methylamino)-1-(pyridin-3-yl)butan-1-one

C10H14N2O (178.1106074)


Nicorette is a branded over-the-counter palliative treatment which is used to ameliorate the withdrawal effects involved in quitting smoking. Originally available as a patch for topical application, it was later made available as a nicotine gum (composed of nicotine polacrilex)lozenge, inhaler, and nasal spray. All these products contain nicotine as the active ingredient and work by delivering this into the bloodstream. [HMDB] Nicorette is a branded over-the-counter palliative treatment which is used to ameliorate the withdrawal effects involved in quitting smoking. Originally available as a patch for topical application, it was later made available as a nicotine gum (composed of nicotine polacrilex)lozenge, inhaler, and nasal spray. All these products contain nicotine as the active ingredient and work by delivering this into the bloodstream.

   

Glycinexylidide

2-Amino-N-(2,6-dimethyl-phenyl)-acetamide

C10H14N2O (178.1106074)


Glycinexylidide is a metabolite of lidocaine. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. (Wikipedia)

   

6-Hydroxynicotine (S)

5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol

C10H14N2O (178.1106074)


   
   
   
   

2-Methylpropyl benzoate

Benzoic acid, isobutyl ester (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


2-Methylpropyl benzoate is found in alcoholic beverages. 2-Methylpropyl benzoate is used in perfumery and food flavouring. 2-Methylpropyl benzoate is present in banana, sweet cherry, papaya, beer, cider and cocoa. 2-Methylpropyl benzoate is used in perfumery and food flavouring. It is found in banana, sweet cherry, papaya, beer, cider and cocoa.

   

Nicotine-1'-N-oxide

1-Methyl-2-(3-pyridyl)-2,3,4,5-tetrahydropyrrol-1-olic acid

C10H14N2O (178.1106074)


Nicotine N-oxide (NNO) is a primary metabolite of nicotine, although only about 4-7\\% of nicotine absorbed by smokers is metabolized via this route. The conversion of nicotine to NNO involves a flavin-containing monooxygenase 3 (FMO3). It appears that NNO is not further metabolized to any significant extent, except by reduction back to nicotine, which may lead to recycling of nicotine in the body. [HMDB]. Nicotine-1-N-oxide is found in many foods, some of which are thistle, swede, sorghum, and pulses. Nicotine N-oxide (NNO) is a primary metabolite of nicotine, although only about 4-7\\% of nicotine absorbed by smokers is metabolized via this route. The conversion of nicotine to NNO involves a flavin-containing monooxygenase 3 (FMO3). It appears that NNO is not further metabolized to any significant extent, except by reduction back to nicotine, which may lead to recycling of nicotine in the body.

   

2-O-Methyl-L-fucose

(2R,3S,4R,5S,6S)-3-methoxy-6-methyloxane-2,4,5-triol

C7H14O5 (178.08411940000002)


2-O-Methyl-L-fucose (CAS: 34299-00-8) is found in fruits. 2-O-Methyl-L-fucose is present in plant polysaccharides, e.g. of Prunus domestica (plum). Present in plant polysaccharides, e.g. of Prunus domestica (plum). 2-O-Methyl-L-fucose is found in fruits.

   

Osmorhizole

2,4-Dimethoxy-1-(2-propenyl)benzene, 9ci

C11H14O2 (178.09937440000002)


Osmorhizole is found in green vegetables. Osmorhizole is a constituent of sweet cicely (Myrrhis odorata) leaf and root oils. Constituent of sweet cicely (Myrrhis odorata) leaf and root oils. Osmorhizole is found in green vegetables.

   

1-Phenylethyl propanoate

Benzenemethanol, alpha-methyl-, 1-propanoate

C11H14O2 (178.09937440000002)


1-Phenylethyl propanoate is a flavouring agent. Flavouring agent

   

4-(4-Methoxyphenyl)-2-butanone

2-Butanone, 4-(P-methoxyphenyl)- (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


4-(4-Methoxyphenyl)-2-butanone is found in herbs and spices. 4-(4-Methoxyphenyl)-2-butanone is a flavour ingredient. 4-(4-Methoxyphenyl)-2-butanone is present in anise (Pimpinella anisum). 4-(4-Methoxyphenyl)-2-butanone is a flavouring ingredient. It is found in herbs and spices, such as anise (Pimpinella anisum). Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].

   

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

3-(2-hydroxy-4-methylphenyl)butan-2-one

C11H14O2 (178.09937440000002)


3-(2-Hydroxy-4-methylphenyl)-2-butanone is found in herbs and spices. 3-(2-Hydroxy-4-methylphenyl)-2-butanone is a constituent of peppermint oil. Constituent of peppermint oil. 3-(2-Hydroxy-4-methylphenyl)-2-butanone is found in herbs and spices.

   

2'-Hydroxynicotine

(2R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-2-ol

C10H14N2O (178.1106074)


2-Hydroxynicotine is a metabolite produced from the degradation of nicotine, an alkaloid found in the nightshade family of plants (Solanaceae), predominantly in tobacco, and in lower quantities in tomato, potato, eggplant (aubergine), and green pepper. Cytochrome P450 2A6 (EC 1.14.14.1) metabolizes nicotine via 2-hydroxylation into 4-(methylamino)-1-(3-pyridyl)-1-butanone with 2-hydroxynicotine as an intermediate (PMID: 11050152). 2-Hydroxynicotine spontaneously yields nicotine-Δ1′(2′)-iminium ion, which is in equilibrium with 4-(methylamino)-1-(3-pyridyl)-1-butanone (PMID: 15734728). About 10\\% of nicotine and its metabolites are excreted as 4-oxo-4-(3-pyridyl)butanoate (keto acid) and 4-hydroxy-4-(3-pyridyl)butanoate (hydroxy acid) in the urine of smokers (PMID: 10548320). 2-Hydroxynicotine is a metabolite of the degradation of Nicotine (Nicotine is an alkaloid found in the nightshade family of plants (Solanaceae), predominantly in tobacco, and in lower quantities in tomato, potato, eggplant (aubergine), and green pepper) via a 2-hydroxylation reaction producing 2-hydroxynicotine as an intermediate in the cytochrome P450 2A6 [EC 1.14.14.1] catalyzed conversion of nicotine to 4-(methylamino)-1-(3-pyridyl)-1-butanone. 2-Hydroxynicotine spontaneously yields nicotine-1(2)-iminium ion, which is in equilibrium with 4-(methylamino)-1-(3-pyridyl)-1-butanone. About 10\\% of nicotine and metabolites is excreted as 4-oxo-4-(3-pyridyl)butanoate (keto acid) and 4-hydroxy-4-(3-pyridyl)butanoate (hydroxy acid) in the urine of smokers. [HMDB]

   

5-Phenylvaleric acid

delta-Phenylvaleric acid

C11H14O2 (178.09937440000002)


5-Phenylvaleric acid, also known as delta-phenylvalerate or benzenepentanoic-acid, is a monocarboxylic acid that is valeric acid substituted by a phenyl group at the delta-position. It is a monocarboxylic acid and a member of benzenes. It derives from a valeric acid. 5-Phenylvaleric acid belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 5-Phenylvaleric acid is a Pentanoic acid of bacterial origin, occasionally found in human biofluids. (PMID 9389332) [HMDB] 5-Phenylvaleric acid (5-Phenylpentanoic acid) is a pentanoic acid of bacterial origin, occasionally found in human biofluids.

   

Dibutyl disulfide

1-(Butyldisulphanyl)butane

C8H18S2 (178.0849868)


Dibutyl disulfide is found in green vegetables. Dibutyl disulfide is a constituent of Ferula assa-foetida (asafoetida)

   

Phenylmethyl 2-methylpropanoate

Propanoic acid, 2-methyl-, phenylmethyl ester

C11H14O2 (178.09937440000002)


Phenylmethyl 2-methylpropanoate is found in alcoholic beverages. Phenylmethyl 2-methylpropanoate is present in Scotch spearmint oil, beer, hybrid passion fruit and cherimoya. Phenylmethyl 2-methylpropanoate is a flavouring agent Present in Scotch spearmint oil, beer, hybrid passion fruit and cherimoya. Flavouring agent. Phenylmethyl 2-methylpropanoate is found in spearmint, alcoholic beverages, and fruits.

   

Phenylmethyl butanoate

Butanoic acid, phenylmethyl ester

C11H14O2 (178.09937440000002)


Phenylmethyl butanoate is found in alcoholic beverages. Phenylmethyl butanoate is present in purple and yellow passion fruit, mountain papaya, cherimoya, black tea, Bourbon vanilla and hog plum. Phenylmethyl butanoate is a flavouring agent. Present in purple and yellow passion fruit, mountain papaya, cherimoya, black tea, Bourbon vanilla and hog plum. Flavouring agent. Phenylmethyl butanoate is found in tea, alcoholic beverages, and fruits.

   

2-Phenylethyl propanoate

PROPANOIC ACID,3-(ethyl,2-phenyl) ester MFC11 H14 O2

C11H14O2 (178.09937440000002)


2-Phenylethyl propanoate is found in alcoholic beverages. 2-Phenylethyl propanoate is found in guava Pisidium guajava, cheeses, peanut and brandy. 2-Phenylethyl propanoate is a food flavou Found in guava Pisidium guajava, cheeses, peanut and brandy. Food flavour

   

alpha,alpha-Dimethylphenethyl formate

Phenethyl alcohol, alpha,alpha-dimethyl-, formate

C11H14O2 (178.09937440000002)


alpha,alpha-Dimethylphenethyl formate is a flavouring ingredient with a spicy tast Flavouring ingredient with a spicy taste

   

Methyl 4-phenylbutanoate

Butyric acid, 4-phenyl-, methyl ester

C11H14O2 (178.09937440000002)


Methyl 4-phenylbutanoate is a flavouring ingredient. Flavouring ingredient

   

2-Methylphenyl 2-methylpropanoate

Propanoic acid, 2-methyl-, 2-methylphenyl ester

C11H14O2 (178.09937440000002)


2-Methylphenyl 2-methylpropanoate is a flavouring ingredient. Flavouring ingredient

   

p-Tolyl isobutyrate

Propanoic acid, 2-methyl-, 4-methylphenyl ester

C11H14O2 (178.09937440000002)


p-Tolyl isobutyrate is a flavouring ingredient. Flavouring ingredient

   

1,8-Octanedithiol

Octamethylene dimercaptan

C8H18S2 (178.0849868)


1,8-Octanedithiol is a flavouring material for soups and meat products. Flavouring material for soups and meat products

   

Ethyl 3-phenylpropanoate

Hydrocinnamic acid, ethyl ester (8ci)

C11H14O2 (178.09937440000002)


Ethyl 3-phenylpropanoate, also known as ethyl dihydrocinnamate or ethyl benzenepropanoate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Flavouring ingredient

   

Propyl phenylacetate

Acetic acid, phenyl-, propyl ester (8ci)

C11H14O2 (178.09937440000002)


Propyl phenylacetate is a flavouring ingredient. Flavouring ingredient

   

Isopropyl phenylacetate

Benzeneacetic acid, 1-methylethyl ester

C11H14O2 (178.09937440000002)


Isopropyl phenylacetate is a flavouring ingredient. Flavouring ingredient

   

2-Ethoxy-5-(1-propenyl)phenol

2-ethoxy-5-[(1E)-prop-1-en-1-yl]phenol

C11H14O2 (178.09937440000002)


2-Ethoxy-5-(1-propenyl)phenol is a flavouring ingredient. Flavouring ingredient

   

Methional diethyl acetal

1,1-diethoxy-3-(methylsulfanyl)propane

C8H18O2S (178.1027448)


Methional diethyl acetal is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]

   

(2-Pyridin-3-ylpyrrolidin-1-yl)methanol

[2-(pyridin-3-yl)pyrrolidin-1-yl]methanol

C10H14N2O (178.1106074)


   

(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol

(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol

C7H14O5 (178.08411940000002)


   

beta-D-galactosyl

2-(hydroxymethyl)-6-methyloxane-3,4,5-triol

C7H14O5 (178.08411940000002)


   

Glycerol 3-hydroxybutyrate

2,3-dihydroxypropyl 2-hydroxybutanoate

C7H14O5 (178.08411940000002)


   

Methyl isoeugenol

1,2-dimethoxy-4-(prop-1-en-1-yl)benzene

C11H14O2 (178.09937440000002)


   

Nicotine-N-oxide

3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-olate

C10H14N2O (178.1106074)


   

Nikethamide

N,N-diethylpyridine-3-carboxamide

C10H14N2O (178.1106074)


R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

Phenyl valerate

Phenyl pentanoic acid

C11H14O2 (178.09937440000002)


   

5-Hydroperoxypent-1-enylbenzene

5-Phenylpent-4-enyl-1-hydroperoxide

C11H14O2 (178.09937440000002)


   

Butyl benzoate

Benzoic acid N-butyl ester

C11H14O2 (178.09937440000002)


Butyl benzoate, also known as butyl benzoic acid, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Butyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butyl benzoate is a mild, amber, and balsamic tasting compound found in papaya, which makes butyl benzoate a potential biomarker for the consumption of this food product.

   

N-Acetyl bongardine

N-Acetyl bongardine

C10H14N2O (178.1106074)


   

4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol

4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol

C11H14O2 (178.09937440000002)


   
   
   

2-(Methylthio)-4-heptanethiol

2-(Methylthio)-4-heptanethiol

C8H18S2 (178.0849868)


   
   

Nikethamide

Nikethamide

C10H14N2O (178.1106074)


R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

isoproturon-didemethyl

isoproturon-didemethyl

C10H14N2O (178.1106074)


A member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon. CONFIDENCE standard compound; EAWAG_UCHEM_ID 285

   
   

BUTYL BENZOATE

n-Butyl benzoate

C11H14O2 (178.09937440000002)


A benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles.

   

Nicotine-N-oxide

Nicotine-N-oxide

C10H14N2O (178.1106074)


Annotation level-3

   

2-Amino-6-dimethylaminopurine

2-Amino-6-dimethylaminopurine

C7H10N6 (178.09669000000002)


   
   

3-(4-ethoxyphenyl)prop-2-en-1-ol

3-(4-ethoxyphenyl)prop-2-en-1-ol

C11H14O2 (178.09937440000002)


   
   

2-methoxy-6-methyloxane-3,4,5-triol

2-methoxy-6-methyloxane-3,4,5-triol

C7H14O5 (178.08411940000002)


   

6-Deoxy-4-O-methylallose,9CI-D-form|6-Dexoy-3-O-methylmannose, 9CI,8CI

6-Deoxy-4-O-methylallose,9CI-D-form|6-Dexoy-3-O-methylmannose, 9CI,8CI

C7H14O5 (178.08411940000002)


   

2,6-Diaminopurine,8CI-N2,N6-Di-Me

2,6-Diaminopurine,8CI-N2,N6-Di-Me

C7H10N6 (178.09669000000002)


   
   

4-(3-Methyl-2-butenyl)-4-cyclohexene-1,3-dione

4-(3-Methyl-2-butenyl)-4-cyclohexene-1,3-dione

C11H14O2 (178.09937440000002)


   
   

2,3-di-O-methyl-D-xylose|O2,O3-dimethyl-D-xylose|O2,O3-dimethyl-xi-D-xylopyranose

2,3-di-O-methyl-D-xylose|O2,O3-dimethyl-D-xylose|O2,O3-dimethyl-xi-D-xylopyranose

C7H14O5 (178.08411940000002)


   
   
   

3,3-dimethoxyprop-1-enylbenzene

3,3-dimethoxyprop-1-enylbenzene

C11H14O2 (178.09937440000002)


   

sec-Butyl Disulfide

Di-sec-butyl disulfide

C8H18S2 (178.0849868)


   

3-amino-6-(aminomethyl)oxane-2,4,5-triol

3-amino-6-(aminomethyl)oxane-2,4,5-triol

C6H14N2O4 (178.0953524)


   
   

1-methoxy-4-(3-methoxyprop-1-enyl)benzene

1-methoxy-4-(3-methoxyprop-1-enyl)benzene

C11H14O2 (178.09937440000002)


   

Deca-4,6-diinsaeure-methylester|deca-4,6-diynoic acid methyl ester|Me ester-4, 6-Decadiynoic acid

Deca-4,6-diinsaeure-methylester|deca-4,6-diynoic acid methyl ester|Me ester-4, 6-Decadiynoic acid

C11H14O2 (178.09937440000002)


   
   

1-Hydroxy-5-phenyl-3-pentanone

1-Hydroxy-5-phenyl-3-pentanone

C11H14O2 (178.09937440000002)


A beta-hydroxy ketone that is pentan-3-one with a hydroxy group at position 1 and a phenyl group at position 5. Isolated from the edible mushroom Mycoleptodonoides aitchisonii, it exhibits protective activity against endoplasmic reticulum (ER) stress-dependent cell death.

   

5-(E)-but-2-enylidene-3-propyl-5H-furan-2-one

5-(E)-but-2-enylidene-3-propyl-5H-furan-2-one

C11H14O2 (178.09937440000002)


   
   
   

L-Glucose, 6-deoxy-3-O-methyl-

L-Glucose, 6-deoxy-3-O-methyl-

C7H14O5 (178.08411940000002)


   
   

(E)-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|nocapyrone F

(E)-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|nocapyrone F

C11H14O2 (178.09937440000002)


   
   
   
   
   

2,3,4-Trihydroxy-2,3-dimethylvaleric acid

2,3,4-Trihydroxy-2,3-dimethylvaleric acid

C7H14O5 (178.08411940000002)


   
   
   
   

2,4-di-O-methyl-D-xylose|O2,O4-dimethyl-D-xylose|O2,O4-dimethyl-xi-D-xylopyranose

2,4-di-O-methyl-D-xylose|O2,O4-dimethyl-D-xylose|O2,O4-dimethyl-xi-D-xylopyranose

C7H14O5 (178.08411940000002)


   
   
   

Isobutyl disulfide

Diisobutyl disulfide

C8H18S2 (178.0849868)


   
   
   

1,2-dimethoxy-4-(prop-1-en-2-yl)benzene

1,2-dimethoxy-4-(prop-1-en-2-yl)benzene

C11H14O2 (178.09937440000002)


   

2,3-di-O-methylxylose|D-xylo-4,5-Dihydroxy-2,3-dimethoxy-valeraldehyd|O2,O3-Dimethyl-aldehydo-D-xylose|O2,O3-dimethyl-D-xylose

2,3-di-O-methylxylose|D-xylo-4,5-Dihydroxy-2,3-dimethoxy-valeraldehyd|O2,O3-Dimethyl-aldehydo-D-xylose|O2,O3-dimethyl-D-xylose

C7H14O5 (178.08411940000002)


   

5-Deoxy-3-C-hydroxymethyllyxose,9CI-Me glycoside

5-Deoxy-3-C-hydroxymethyllyxose,9CI-Me glycoside

C7H14O5 (178.08411940000002)


   

3,5-Dimethyl-4-methoxyacetophenone

3,5-Dimethyl-4-methoxyacetophenone

C11H14O2 (178.09937440000002)


   
   

(+)-desoxygaliellactone|(+)-desoxygaliellalactone|desoxygaliellalactone

(+)-desoxygaliellactone|(+)-desoxygaliellalactone|desoxygaliellalactone

C11H14O2 (178.09937440000002)


   

L-arabino-3,4-Dihydroxy-2,5-dimethoxy-valeraldehyd|O2,O5-dimethyl-L-arabinose

L-arabino-3,4-Dihydroxy-2,5-dimethoxy-valeraldehyd|O2,O5-dimethyl-L-arabinose

C7H14O5 (178.08411940000002)


   

2,6-Decadien-4-ynoic acid-(2E,6E)-form-me ester|Decadien-(2t,6t)-in-(4)-saeure-methylester|Decadien-(2trans.6trans)-in-(4)-saeure-(1)-methylester

2,6-Decadien-4-ynoic acid-(2E,6E)-form-me ester|Decadien-(2t,6t)-in-(4)-saeure-methylester|Decadien-(2trans.6trans)-in-(4)-saeure-(1)-methylester

C11H14O2 (178.09937440000002)


   
   

4-(1,1-Dimethyl-2-propenyl)resorcinol

4-(1,1-Dimethyl-2-propenyl)resorcinol

C11H14O2 (178.09937440000002)


   

2-methoxy-4-isopropylbenzaldehyde

2-methoxy-4-isopropylbenzaldehyde

C11H14O2 (178.09937440000002)


   
   
   

Methyl isoeugenol

4-cis-Propenylveratrole; cis-Isoeugenol methyl ether;cis-Methylisoeugenol

C11H14O2 (178.09937440000002)


Isomethyleugenol is a phenylpropanoid, an olefinic compound and a dimethoxybenzene. Methylisoeugenol is a natural product found in Nicotiana bonariensis, Myrtus communis, and other organisms with data available. Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1]. Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1].

   

Nicotine 1-N-oxide

(1 inverted exclamation mark S,2 inverted exclamation mark S)-Nicotine 1 inverted exclamation mark -Oxide

C10H14N2O (178.1106074)


Trans-(S)-nicotine N(1)-oxide is an (S)-nicotine N(1)-oxide in which the N(1)-methyl group is on the opposite side of the pyrrolidine ring to the pyridine substituent. The major species at pH 7.3. (1′S,2′S)-Nicotine-1'-oxide is an alkaloid N-oxide from the leaves, stems and roots of Nicotiana tabacum[1].

   

5-Phenylvaleric acid

5-Phenylvaleric acid

C11H14O2 (178.09937440000002)


5-Phenylvaleric acid (5-Phenylpentanoic acid) is a pentanoic acid of bacterial origin, occasionally found in human biofluids.

   

Vanitrope

2-ethoxy-5-[(1E)-prop-1-en-1-yl]phenol

C11H14O2 (178.09937440000002)


CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4620 CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4617; ORIGINAL_PRECURSOR_SCAN_NO 4616 CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4650; ORIGINAL_PRECURSOR_SCAN_NO 4645 CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4640; ORIGINAL_PRECURSOR_SCAN_NO 4636 CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4710; ORIGINAL_PRECURSOR_SCAN_NO 4706 CONFIDENCE standard compound; INTERNAL_ID 392; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4630; ORIGINAL_PRECURSOR_SCAN_NO 4625

   
   

PPHP

(E)-5-Phenyl-4-Pentenyl Hydroperoxide

C11H14O2 (178.09937440000002)


   

Dibutyl disulfide

1-(Butyldisulfanyl)butane

C8H18S2 (178.0849868)


   

Benzyl isobutyrate

Propanoic acid, 2-methyl-, phenylmethyl ester

C11H14O2 (178.09937440000002)


   

Benzylsuccinate

Butanoic acid, phenylmethyl ester

C11H14O2 (178.09937440000002)


   

Anisylacetone

2-Butanone, 4-(P-methoxyphenyl)- (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].

   

ecopco Acu

PROPANOIC ACID,3-(ethyl,2-phenyl) ester MFC11 H14 O2

C11H14O2 (178.09937440000002)


   

DMBC Formate

Phenethyl alcohol, alpha,alpha-dimethyl-, formate

C11H14O2 (178.09937440000002)


   

FEMA 2739

Butyric acid, 4-phenyl-, methyl ester

C11H14O2 (178.09937440000002)


   

FEMA 3753

Propanoic acid, 2-methyl-, 2-methylphenyl ester

C11H14O2 (178.09937440000002)


   

FEMA 3075

Propanoic acid, 2-methyl-, 4-methylphenyl ester

C11H14O2 (178.09937440000002)


   

3-(2-hydroxy-4-methylphenyl)butan-2-one

3-(2-hydroxy-4-methylphenyl)butan-2-one

C11H14O2 (178.09937440000002)


   

Styralyl propionate

Benzenemethanol, alpha-methyl-, 1-propanoate

C11H14O2 (178.09937440000002)


   

FEMA 3514

Octamethylene dimercaptan

C8H18S2 (178.0849868)


   

Osmorhizole

2,4-Dimethoxy-1-(2-propenyl)benzene, 9ci

C11H14O2 (178.09937440000002)


   

Vanilglycolic acid

Hydrocinnamic acid, ethyl ester (8ci)

C11H14O2 (178.09937440000002)


   

Propyl phenylacetate

Acetic acid, phenyl-, propyl ester (8ci)

C11H14O2 (178.09937440000002)


   

FEMA 2956

Benzeneacetic acid, 1-methylethyl ester

C11H14O2 (178.09937440000002)


   

Isobutyl benzoate

Benzoic acid, isobutyl ester (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.

   

Di-et acetal

1,1-diethoxy-3-(methylsulfanyl)propane

C8H18O2S (178.1027448)


   

FOH 11:5;O

1-hydroxy-5-phenylpentan-3-one

C11H14O2 (178.09937440000002)


   

SFE 11:4

Methyl 4-phenylbutanoate

C11H14O2 (178.09937440000002)


   
   

1-ETHYLPIPERIDIN-3-OXYME HYDROCHLORIDE

1-ETHYLPIPERIDIN-3-OXYME HYDROCHLORIDE

C7H15ClN2O (178.08728499999998)


   
   

2-(2,3-DIHYDRO-BENZOFURAN-5-YL)-PROPAN-2-OL

2-(2,3-DIHYDRO-BENZOFURAN-5-YL)-PROPAN-2-OL

C11H14O2 (178.09937440000002)


   

(CBZ-4-AMINOMETHYL)PIPERIDINE,MIN.95\\%

(CBZ-4-AMINOMETHYL)PIPERIDINE,MIN.95\\%

C8H19ClSi (178.09444839999998)


   

Methanimidic acid, N-(4-cyano-1-methyl-1H-pyrazol-5-yl)-,ethyl ester

Methanimidic acid, N-(4-cyano-1-methyl-1H-pyrazol-5-yl)-,ethyl ester

C8H10N4O (178.085457)


   

3-isopropyl-4-methoxybenzaldehyde

3-isopropyl-4-methoxybenzaldehyde

C11H14O2 (178.09937440000002)


   

1,2-Dimethoxy-1,1,2,2-tetramethyldisilane

1,2-Dimethoxy-1,1,2,2-tetramethyldisilane

C6H18O2Si2 (178.0845288)


   
   

(S)-3-AMINO-1-METHYLAZEPAN-2-ONE HYDROCHLORIDE

(S)-3-AMINO-1-METHYLAZEPAN-2-ONE HYDROCHLORIDE

C7H15ClN2O (178.08728499999998)


   
   

4-(4-Methylphenyl)butanoic acid

4-(4-Methylphenyl)butanoic acid

C11H14O2 (178.09937440000002)


   

2,4-DIMETHYLBENZOIC ACID ETHYL ESTER

2,4-DIMETHYLBENZOIC ACID ETHYL ESTER

C11H14O2 (178.09937440000002)


   

Methyltriethoxysilane

Methyltriethoxysilane

C7H18O3Si (178.1025158)


   
   

3-(2,4-DIMETHYLPHENYL)PROPIONIC ACID

3-(2,4-DIMETHYLPHENYL)PROPIONIC ACID

C11H14O2 (178.09937440000002)


   

3-(3,4-Dimethylphenyl)propanoic acid

3-(3,4-Dimethylphenyl)propanoic acid

C11H14O2 (178.09937440000002)


   

3-(4-methoxyphenyl)-2-methylpropanal

3-(4-methoxyphenyl)-2-methylpropanal

C11H14O2 (178.09937440000002)


   

4-(2-Methylphenyl)butanoic acid

4-(2-Methylphenyl)butanoic acid

C11H14O2 (178.09937440000002)


   
   

5-ISOPROPYL-2-METHOXYBENZALDEHYDE

5-ISOPROPYL-2-METHOXYBENZALDEHYDE

C11H14O2 (178.09937440000002)


   

N,N-dimethyl-5H-purine-2,6-diamine

N,N-dimethyl-5H-purine-2,6-diamine

C7H10N6 (178.09669000000002)


   
   

Oxirane, 2-[2-(phenylmethoxy)ethyl]-

Oxirane, 2-[2-(phenylmethoxy)ethyl]-

C11H14O2 (178.09937440000002)


   

4-Methoxy-2,3,6-trimethylbenzaldehyde

4-Methoxy-2,3,6-trimethylbenzaldehyde

C11H14O2 (178.09937440000002)


   

Benzene,[(3-methyl-2-buten-1-yl)thio]-

Benzene,[(3-methyl-2-buten-1-yl)thio]-

C11H14S (178.0816164)


   

Chloro(3,3-dimethylbutyl)dimethylsilane

Chloro(3,3-dimethylbutyl)dimethylsilane

C8H19ClSi (178.09444839999998)


   

Benzoic acid,2-(1,1-dimethylethyl)-

Benzoic acid,2-(1,1-dimethylethyl)-

C11H14O2 (178.09937440000002)


   

METHYL 3,3,3-TRIMETHOXYPROPIONATE

METHYL 3,3,3-TRIMETHOXYPROPIONATE

C7H14O5 (178.08411940000002)


   
   

Benzoic acid,2,3,5,6-tetramethyl-

Benzoic acid,2,3,5,6-tetramethyl-

C11H14O2 (178.09937440000002)


   

(S)-2-NITRO-N-(1-PHENYL-2-PYRROLIDIN-1-YL-ETHYL)-BENZENESULFONAMIDE

(S)-2-NITRO-N-(1-PHENYL-2-PYRROLIDIN-1-YL-ETHYL)-BENZENESULFONAMIDE

C11H14O2 (178.09937440000002)


   

(2S,3R,4S,5R,6R)-2-methoxy-6-methyloxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-methoxy-6-methyloxane-3,4,5-triol

C7H14O5 (178.08411940000002)


   

(R)-2-METHYL-PIPERAZINE-1,4-DICARBOXYLICACID4-BENZYLESTER1-TERT-BUTYLESTER

(R)-2-METHYL-PIPERAZINE-1,4-DICARBOXYLICACID4-BENZYLESTER1-TERT-BUTYLESTER

C11H14O2 (178.09937440000002)


   

2-(PIPERIDIN-4-YL)ACETAMIDE HYDROCHLORIDE

2-(PIPERIDIN-4-YL)ACETAMIDE HYDROCHLORIDE

C7H15ClN2O (178.08728499999998)


   
   

2-[(2,4-Dimethylphenoxy)methyl]oxirane

2-[(2,4-Dimethylphenoxy)methyl]oxirane

C11H14O2 (178.09937440000002)


   

1-methylpiperidine-3-carboxamide (HCl)

1-methylpiperidine-3-carboxamide (HCl)

C7H15ClN2O (178.08728499999998)


   
   

2-[(2,5-dimethylphenoxy)methyl]oxirane

2-[(2,5-dimethylphenoxy)methyl]oxirane

C11H14O2 (178.09937440000002)


   

Butane,1,1-sulfonylbis-

Butane,1,1-sulfonylbis-

C8H18O2S (178.1027448)


   

1-(4-hydroxy-3-propylphenyl)ethanone

1-(4-hydroxy-3-propylphenyl)ethanone

C11H14O2 (178.09937440000002)


   
   

3-methoxy-1-(p-tolyl)propan-1-one

3-methoxy-1-(p-tolyl)propan-1-one

C11H14O2 (178.09937440000002)


   
   

9H-Purine, 6-propoxy-

9H-Purine, 6-propoxy-

C8H10N4O (178.085457)


   

Isobutyl(trimethoxy)silane

Isobutyl(trimethoxy)silane

C7H18O3Si (178.1025158)


   

Benzoic acid,4-(1-methylethyl)-, methyl ester

Benzoic acid,4-(1-methylethyl)-, methyl ester

C11H14O2 (178.09937440000002)


   
   
   

N-methylpiperidine-4-carboxamide hydrochloride

N-methylpiperidine-4-carboxamide hydrochloride

C7H15ClN2O (178.08728499999998)


   
   
   
   

N-(PIPERIDIN-4-YL)ACETAMIDE HYDROCHLORIDE

N-(PIPERIDIN-4-YL)ACETAMIDE HYDROCHLORIDE

C7H15ClN2O (178.08728499999998)


   

1,2-DIMETHOXY-3-(PROP-1-EN-2-YL)BENZENE

1,2-DIMETHOXY-3-(PROP-1-EN-2-YL)BENZENE

C11H14O2 (178.09937440000002)


   

1-(4-hydroxy-2-methylphenyl)-2-methylpropan-1-one

1-(4-hydroxy-2-methylphenyl)-2-methylpropan-1-one

C11H14O2 (178.09937440000002)


   

[3-(Cyclopropylmethoxy)phenyl]methanol

[3-(Cyclopropylmethoxy)phenyl]methanol

C11H14O2 (178.09937440000002)


   
   
   

a-L-Mannopyranoside, methyl6-deoxy-

a-L-Mannopyranoside, methyl6-deoxy-

C7H14O5 (178.08411940000002)


   

2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE 1-OXIDE

2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE 1-OXIDE

C11H14O2 (178.09937440000002)


   

(4,4-Difluorocyclohexyl)acetic acid

(4,4-Difluorocyclohexyl)acetic acid

C8H12F2O2 (178.0805316)


   

2-[(2,6-dimethylphenoxy)methyl]oxirane

2-[(2,6-dimethylphenoxy)methyl]oxirane

C11H14O2 (178.09937440000002)


   

2-imidazo[1,2-b][1,2,4]triazin-7-ylpropan-2-ol

2-imidazo[1,2-b][1,2,4]triazin-7-ylpropan-2-ol

C8H10N4O (178.085457)


   

2-hydroxy-5-isopropylacetophenone

2-hydroxy-5-isopropylacetophenone

C11H14O2 (178.09937440000002)


   

2,2-dimethyl-3,4-dihydrochromen-7-ol

2,2-dimethyl-3,4-dihydrochromen-7-ol

C11H14O2 (178.09937440000002)


   
   
   
   

2-[(3-Methyl-2-buten-1-yl)oxy]phenol

2-[(3-Methyl-2-buten-1-yl)oxy]phenol

C11H14O2 (178.09937440000002)


   

Benzeneethanol, a-methyl-, 1-acetate

Benzeneethanol, a-methyl-, 1-acetate

C11H14O2 (178.09937440000002)


   

butylhydrazine oxalate

butylhydrazine oxalate

C6H14N2O4 (178.0953524)


   

(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL

(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL

C11H14O2 (178.09937440000002)


   
   
   

Dioxybis(trimethylsilane)

Dioxybis(trimethylsilane)

C6H18O2Si2 (178.0845288)


   
   

5-((trimethylsilyl)ethynyl)-1

5-((trimethylsilyl)ethynyl)-1

C9H14N2Si (178.0926204)


   
   
   
   

Methyl 2-methyl-2-phenylpropanoate

Methyl 2-methyl-2-phenylpropanoate

C11H14O2 (178.09937440000002)


   

(S)-1-ethyl-5-methylpiperazin-2-one

(S)-1-ethyl-5-methylpiperazin-2-one

C7H15ClN2O (178.08728499999998)


   

Butyl(trimethoxy)silane

Butyl(trimethoxy)silane

C7H18O3Si (178.1025158)


   
   
   

(2RS)-2-(4-Ethylphenyl)propanoic acid

(2RS)-2-(4-Ethylphenyl)propanoic acid

C11H14O2 (178.09937440000002)


   
   

Hexane,1,6-bis(methylthio)-

Hexane,1,6-bis(methylthio)-

C8H18S2 (178.0849868)


   
   
   

Methyl alpha-L-fucopyranoside

a-L-Galactopyranoside, methyl6-deoxy-

C7H14O5 (178.08411940000002)


   

2-(4-methoxyphenyl)-tetrahydrofuran

2-(4-methoxyphenyl)-tetrahydrofuran

C11H14O2 (178.09937440000002)


   
   

Ethyl p-tolylacetate

Ethyl (4-methylphenyl)acetate

C11H14O2 (178.09937440000002)


   
   
   

4,4-DIMETHYL-THIOCHROMAN

4,4-DIMETHYL-THIOCHROMAN

C11H14S (178.0816164)


   

ethyl 3-cyclopropyl-2,2-difluoropropanoate

ethyl 3-cyclopropyl-2,2-difluoropropanoate

C8H12F2O2 (178.0805316)


   

7-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one

7-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H11FO (178.0793888)


   
   

[4-(1-hydroxycyclopropyl)phenyl]boronic acid

[4-(1-hydroxycyclopropyl)phenyl]boronic acid

C9H11BO3 (178.08012060000001)


   
   

5,8-dimethyl-3,4-dihydro-2H-chromen-4-ol

5,8-dimethyl-3,4-dihydro-2H-chromen-4-ol

C11H14O2 (178.09937440000002)


   

Benzenepropanoic acid, 3-Methyl-, Methyl ester

Benzenepropanoic acid, 3-Methyl-, Methyl ester

C11H14O2 (178.09937440000002)


   

1-(4-AMINOPIPERIDIN-1-YL)ETHANONE HYDROCHLORIDE

1-(4-AMINOPIPERIDIN-1-YL)ETHANONE HYDROCHLORIDE

C7H15ClN2O (178.08728499999998)


   
   

2-(7-fluoro-1H-indol-3-yl)ethanamine

2-(7-fluoro-1H-indol-3-yl)ethanamine

C10H11FN2 (178.0906218)


   

3-(4-FLUOROPHENYL)CYCLOPENTANONE

3-(4-FLUOROPHENYL)CYCLOPENTANONE

C11H11FO (178.0793888)


   

(E)-(4-METHOXYSTYRYL)BORONIC ACID

(E)-(4-METHOXYSTYRYL)BORONIC ACID

C9H11BO3 (178.08012060000001)


   
   

2-(2-methylpropoxy)benzaldehyde

2-(2-methylpropoxy)benzaldehyde

C11H14O2 (178.09937440000002)


   

2,2-DIMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE

2,2-DIMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE

C11H14O2 (178.09937440000002)


   

3-(3,5-diMethylphenyl)propanoic acid

3-(3,5-diMethylphenyl)propanoic acid

C11H14O2 (178.09937440000002)


   

2-BROMO-4-TERT-BUTYLBENZOIC ACID

2-BROMO-4-TERT-BUTYLBENZOIC ACID

C11H14O2 (178.09937440000002)


   

Benzenemethanol,2-methoxy-a-2-propen-1-yl-

Benzenemethanol,2-methoxy-a-2-propen-1-yl-

C11H14O2 (178.09937440000002)


   

Benzoic acid,1-methylpropyl ester

Benzoic acid,1-methylpropyl ester

C11H14O2 (178.09937440000002)


   

1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine(SALTDATA: CH3SO3H)

1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine(SALTDATA: CH3SO3H)

C10H11FN2 (178.0906218)


   
   

R(-)-8A-METHYL-3,4,8,8A-TETRAHYDRO-1,6(2H,7H)-NAPHTHALENENDIONE

R(-)-8A-METHYL-3,4,8,8A-TETRAHYDRO-1,6(2H,7H)-NAPHTHALENENDIONE

C11H14O2 (178.09937440000002)


   

Methanone,cyclobutyl(4-fluorophenyl)-

Methanone,cyclobutyl(4-fluorophenyl)-

C11H11FO (178.0793888)


   
   
   

2-HYDROXY-6-ISOPROPYL-METHYL-BENZALDEHYDE

2-HYDROXY-6-ISOPROPYL-METHYL-BENZALDEHYDE

C11H14O2 (178.09937440000002)


   

3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde

3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde

C11H14O2 (178.09937440000002)


   

Ethanone,1-(4-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-

Ethanone,1-(4-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-

C8H10N4O (178.085457)


   

Ethyl 3,5-dimethylbenzoate

3,5-DIMETHYLBENZOIC ACID ETHYL ESTER

C11H14O2 (178.09937440000002)


   

3-[4-(ETHYLTHIO)PHENYL]-1-PROPENE

3-[4-(ETHYLTHIO)PHENYL]-1-PROPENE

C11H14S (178.0816164)


   

5-METHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHOL

5-METHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHOL

C11H14O2 (178.09937440000002)


   

Methyl 4,4-difluorocyclohexanecarboxylate

Methyl 4,4-difluorocyclohexanecarboxylate

C8H12F2O2 (178.0805316)


   

Benzenepropanal,2-methoxy-5-methyl-

Benzenepropanal,2-methoxy-5-methyl-

C11H14O2 (178.09937440000002)


   

4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE

4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE

C7H10N6 (178.09669000000002)


   

[2-(2-Methoxyethoxy)ethoxy]acetic acid

[2-(2-Methoxyethoxy)ethoxy]acetic acid

C7H14O5 (178.08411940000002)


   
   

3-amino-1-pyrrolidin-1-ylpropan-1-one,hydrochloride

3-amino-1-pyrrolidin-1-ylpropan-1-one,hydrochloride

C7H15ClN2O (178.08728499999998)


   
   

3,5-Diethyl-4-hydroxybenzaldehyde

3,5-Diethyl-4-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   

3-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

3-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C11H11FO (178.0793888)


   

3-tert-Butyl-4-hydroxybenzaldehyde

3-tert-Butyl-4-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   

1H-Imidazo[4,5-b]pyrazine,1,5,6-trimethyl-,4-oxide(9CI)

1H-Imidazo[4,5-b]pyrazine,1,5,6-trimethyl-,4-oxide(9CI)

C8H10N4O (178.085457)


   
   

1-Isopropylpiperazin-2-one hydrochloride

1-Isopropylpiperazin-2-one hydrochloride

C7H15ClN2O (178.08728499999998)


   

2-(methylamino)-1-pyrrolidin-1-ylethanone,hydrochloride

2-(methylamino)-1-pyrrolidin-1-ylethanone,hydrochloride

C7H15ClN2O (178.08728499999998)


   

(4-PROPIONYLPHENYL)BORONIC ACID

(4-PROPIONYLPHENYL)BORONIC ACID

C9H11BO3 (178.08012060000001)


   

Benzoicacid, 3-(1,1-dimethylethyl)-

Benzoicacid, 3-(1,1-dimethylethyl)-

C11H14O2 (178.09937440000002)


   

1-Propanone,1-(4-ethoxyphenyl)-

1-Propanone,1-(4-ethoxyphenyl)-

C11H14O2 (178.09937440000002)


   
   

Benzeneethanol,4-methyl-, 1-acetate

Benzeneethanol,4-methyl-, 1-acetate

C11H14O2 (178.09937440000002)


   
   

1-(5-FLUORO-2,3-DIHYDRO-INDEN-2-YL)ETHANONE

1-(5-FLUORO-2,3-DIHYDRO-INDEN-2-YL)ETHANONE

C11H11FO (178.0793888)


   

4-tert-Butyl-2-hydroxybenzaldehyde

4-tert-Butyl-2-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   

Cyclopropyl 2-fluorobenzyl ketone

Cyclopropyl 2-fluorobenzyl ketone

C11H11FO (178.0793888)


   
   

2-(1-Phenylethyl)-1,3-dioxolane

1,3-Dioxolane,2-(1-phenylethyl)-

C11H14O2 (178.09937440000002)


A dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.

   
   
   

butyl 2,2-difluorocyclopropanecarboxylate

butyl 2,2-difluorocyclopropanecarboxylate

C8H12F2O2 (178.0805316)


   

DI-TERT-BUTYL DISULFIDE

DI-TERT-BUTYL DISULFIDE

C8H18S2 (178.0849868)


   

N-Methyl-2-piperidinecarboxamide HCl

N-Methyl-2-piperidinecarboxamide HCl

C7H15ClN2O (178.08728499999998)


   

1-(4-methoxy-3-methylphenyl)propan-2-one

1-(4-methoxy-3-methylphenyl)propan-2-one

C11H14O2 (178.09937440000002)


   

1-(4-Methoxy-3,5-dimethylphenyl)ethanone

1-(4-Methoxy-3,5-dimethylphenyl)ethanone

C11H14O2 (178.09937440000002)


   
   
   

Methoxy(methyl)phenyl(vinyl)silane

Methoxy(methyl)phenyl(vinyl)silane

C10H14OSi (178.08138739999998)


   
   
   

N-(3-Aminopropyl)methacrylamide hydrochloride

N-(3-Aminopropyl)methacrylamide hydrochloride

C7H15ClN2O (178.08728499999998)


   
   
   

2-Isopropyl-2-phenylacetic acid

2-Isopropyl-2-phenylacetic acid

C11H14O2 (178.09937440000002)


   

3-(4-Ethylphenyl)propanoic acid

3-(4-Ethylphenyl)propanoic acid

C11H14O2 (178.09937440000002)


   

8,8-Difluoro-1,4-dioxaspiro[4.5]decane

8,8-Difluoro-1,4-dioxaspiro[4.5]decane

C8H12F2O2 (178.0805316)


   

1-(3-ethyl-4-hydroxymethylphenyl)ethanone

1-(3-ethyl-4-hydroxymethylphenyl)ethanone

C11H14O2 (178.09937440000002)


   

3-isopropyl-4-hydroxyacetophenone

3-isopropyl-4-hydroxyacetophenone

C11H14O2 (178.09937440000002)


   

4-(sec-butyl)-2-hydroxybenzaldehyde

4-(sec-butyl)-2-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   

.beta.-D-Galactopyranoside, methyl 6-deoxy-

.beta.-D-Galactopyranoside, methyl 6-deoxy-

C7H14O5 (178.08411940000002)


   
   

(3R)-N-Methyl-3-piperidinecarboxamide HCl

(3R)-N-Methyl-3-piperidinecarboxamide HCl

C7H15ClN2O (178.08728499999998)


   

METHYL-6-DEOXY-A-D-GLUCOPYRANOSIDE

METHYL-6-DEOXY-A-D-GLUCOPYRANOSIDE

C7H14O5 (178.08411940000002)


   
   

(4-Cyclopropoxyphenyl)boronic acid

(4-Cyclopropoxyphenyl)boronic acid

C9H11BO3 (178.08012060000001)


   
   
   

4-Formyl-3,5-dimethylphenylboronic acid

4-Formyl-3,5-dimethylphenylboronic acid

C9H11BO3 (178.08012060000001)


   

5-Tert-butyl-2-hydroxybenzaldehyde

5-Tert-butyl-2-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   
   

6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C11H14O2 (178.09937440000002)


   
   
   
   

b-D-Glucopyranoside, methyl6-deoxy-

b-D-Glucopyranoside, methyl6-deoxy-

C7H14O5 (178.08411940000002)


   

Butane,1,4-bis(ethylthio)-

Butane,1,4-bis(ethylthio)-

C8H18S2 (178.0849868)


   

boronic acid, [4-(2-propenyloxy)phenyl]-

boronic acid, [4-(2-propenyloxy)phenyl]-

C9H11BO3 (178.08012060000001)


   
   
   

7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenol

7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenol

C11H14O2 (178.09937440000002)


   

1-(3-METHOXYPHENOXY)BENZENE-3-CARBOHYDRAZIDE

1-(3-METHOXYPHENOXY)BENZENE-3-CARBOHYDRAZIDE

C11H14O2 (178.09937440000002)


   

3-(tert-Butyl)-2-hydroxybenzaldehyde

3-(tert-Butyl)-2-hydroxybenzaldehyde

C11H14O2 (178.09937440000002)


   

4-Ethoxy-3,5-dimethylbenzaldehyde

4-Ethoxy-3,5-dimethylbenzaldehyde

C11H14O2 (178.09937440000002)


   
   

1,4-BIS(DIMETHYLPHOSPHINO)BUTANE

1,4-BIS(DIMETHYLPHOSPHINO)BUTANE

C8H20P2 (178.104018)


   

1-(3,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE

1-(3,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE

C11H14O2 (178.09937440000002)


   
   

Chloro(2,3-dimethyl-2-butanyl)dimethylsilane

Chloro(2,3-dimethyl-2-butanyl)dimethylsilane

C8H19ClSi (178.09444839999998)


   
   
   

4-(4-METHYOXY)PHENYL-1-BUTEN-4-OL

4-(4-METHYOXY)PHENYL-1-BUTEN-4-OL

C11H14O2 (178.09937440000002)


   
   
   

Titanium ethylhexoxide

Titanium ethylhexoxide

C8H18OTi (178.0837048)


   

1H-Benzimidazole,1-ethyl-5-fluoro-2-methyl-(9CI)

1H-Benzimidazole,1-ethyl-5-fluoro-2-methyl-(9CI)

C10H11FN2 (178.0906218)


   

(AS)-A-ISOPROPYLBENZENEACETIC ACID

(AS)-A-ISOPROPYLBENZENEACETIC ACID

C11H14O2 (178.09937440000002)


   

(R)-3-Methyl-2-phenylbutanoic acid

(R)-3-Methyl-2-phenylbutanoic acid

C11H14O2 (178.09937440000002)


   

(R)-2-AMINO-N-METHYL-3-PHENYLPROPANAMIDE

(R)-2-AMINO-N-METHYL-3-PHENYLPROPANAMIDE

C10H14N2O (178.1106074)


   

2-(4-Fluoro-1H-indol-3-yl)ethanamine

2-(4-Fluoro-1H-indol-3-yl)ethanamine

C10H11FN2 (178.0906218)


   

1-(4-Methylphenyl)ethyl acetate

1-(4-Methylphenyl)ethyl acetate

C11H14O2 (178.09937440000002)


   

2-O-Methyl-beta-L-fucopyranose

2-O-Methyl-beta-L-fucopyranose

C7H14O5 (178.08411940000002)


   

5-Phenylpent-4-enyl-1-hydroperoxide

(E)-5-Phenyl-4-Pentenyl Hydroperoxide

C11H14O2 (178.09937440000002)


   

3-(2,5-Dimethoxyphenyl)-1-propene

3-(2,5-Dimethoxyphenyl)-1-propene

C11H14O2 (178.09937440000002)


   

o-Methoxy-o-methyl-p-allylphenol

o-Methoxy-o-methyl-p-allylphenol

C11H14O2 (178.09937440000002)


   

2-Methoxy-6-methyl-4-prop-1-enylphenol

2-Methoxy-6-methyl-4-prop-1-enylphenol

C11H14O2 (178.09937440000002)


   

3-Hydroxy-3-methyl-4-phenylbutan-2-one

3-Hydroxy-3-methyl-4-phenylbutan-2-one

C11H14O2 (178.09937440000002)


   

5-Methyleugenol

5-Methyleugenol

C11H14O2 (178.09937440000002)


A phenylpropanoid consisting of eugenol having a methyl substituent at the 5-position.

   
   

6-deoxy-3-O-methyl-alpha-L-mannopyranose

6-deoxy-3-O-methyl-alpha-L-mannopyranose

C7H14O5 (178.08411940000002)


   

N5,N5-dimethyl-2,1,3-benzoxadiazole-4,5-diamine

N5,N5-dimethyl-2,1,3-benzoxadiazole-4,5-diamine

C8H10N4O (178.085457)


   

2-Methoxy-3-methyl-4-prop-1-enylphenol

2-Methoxy-3-methyl-4-prop-1-enylphenol

C11H14O2 (178.09937440000002)


   

5-Methylisoeugenol

5-Methylisoeugenol

C11H14O2 (178.09937440000002)


An isoeugenol derivative carrying a 5-methyl substituent.

   
   
   
   

Benzoic acid, 2-methyl-, 1-methylethyl ester

Benzoic acid, 2-methyl-, 1-methylethyl ester

C11H14O2 (178.09937440000002)


   

(S)-4,7a-Dimethyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione

(S)-4,7a-Dimethyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione

C11H14O2 (178.09937440000002)


   
   

93-15-2

4-06-00-06337 (Beilstein Handbook Reference)

C11H14O2 (178.09937440000002)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Methyl Eugenol, a phenylpropanoid chemical in leaves, fruits, stems, and/or roots, may be released when that corresponding part of a plant is damaged as a result of feeding by an herbivore. Methyl Eugenol is used for male annihilation of the oriental fruit fly[1]. Methyl Eugenol is a bait that has oral activity against oriental fruit fly (Hendel).Methyl Eugenol has anti-cancer and anti-inflammatory activities. Methyl Eugenol can induce Autophagy in cells. Methyl Eugenol can be used in the study of intestinal ischemia/reperfusion injury[1][2][3]. Methyl Eugenol, a phenylpropanoid chemical in leaves, fruits, stems, and/or roots, may be released when that corresponding part of a plant is damaged as a result of feeding by an herbivore. Methyl Eugenol is used for male annihilation of the oriental fruit fly[1].

   

AI3-01267

Benzoic acid, isobutyl ester (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


   

93-16-3

InChI=1\C11H14O2\c1-4-5-9-6-7-10(12-2)11(8-9)13-3\h4-8H,1-3H3\b5-4

C11H14O2 (178.09937440000002)


Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1]. Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1].

   

AI3-22217

Acetic acid, phenyl-, propyl ester (8ci)

C11H14O2 (178.09937440000002)


   

WLN: 4OVR

4-09-00-00290 (Beilstein Handbook Reference)

C11H14O2 (178.09937440000002)


   

LS-2896

2-Butanone, 4-(P-methoxyphenyl)- (6ci,7ci,8ci)

C11H14O2 (178.09937440000002)


Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].

   

AI3-18533

acetic acid 3-phenylpropyl ester

C11H14O2 (178.09937440000002)


   

AI3-06120

Benzylester kyseliny maselne [Czech]

C11H14O2 (178.09937440000002)


   

(E)-Methyl isoeugenol

(E)-Methyl isoeugenol

C11H14O2 (178.09937440000002)


Methylisoeugenol, also known as cis-4-propenyl veratrole, is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Methylisoeugenol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methylisoeugenol is a mild, bitter, and clove tasting compound and can be found in a number of food items such as wild carrot, carrot, nutmeg, and sweet basil, which makes methylisoeugenol a potential biomarker for the consumption of these food products. Methyl isoeugenol (isomethyleugenol) is a phenylpropanoid, the methyl ether of isoeugenol, found in certain essential oils. It can occur as both (E)- and (Z)-isomers .

   
   
   

(2S,3R,4S,5R)-6,6-dimethyltetrahydro-2H-pyran-2,3,4,5-tetraol

(2S,3R,4S,5R)-6,6-dimethyltetrahydro-2H-pyran-2,3,4,5-tetraol

C7H14O5 (178.08411940000002)


   

(3R,4R,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol

(3R,4R,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol

C7H14O5 (178.08411940000002)


   

[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium

[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium

C7H16NO4+ (178.1079276)


   

1,1-Dimethylindol-1-ium-5,6-diol

1,1-Dimethylindol-1-ium-5,6-diol

C10H12NO2+ (178.0867992)


   

nocapyrone F

nocapyrone F

C11H14O2 (178.09937440000002)


A natural product found in Nocardiopsis dassonvillei.

   

2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranose

2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranose

C6H14N2O4 (178.0953524)


   

6-Methylisoeugenol

6-Methylisoeugenol

C11H14O2 (178.09937440000002)


An isoeugenol derivative carrying a 6-methyl substituent.

   

4-Hydroxy-3-methyl-4-phenyl-2-butanone

4-Hydroxy-3-methyl-4-phenyl-2-butanone

C11H14O2 (178.09937440000002)


   
   

3-Methylisoeugenol

3-Methylisoeugenol

C11H14O2 (178.09937440000002)


An isoeugenol derivative carrying a 3-methyl substituent.

   

2-Hydroxy-6-methyl-5-allylanisole

2-Hydroxy-6-methyl-5-allylanisole

C11H14O2 (178.09937440000002)


   

4-O-methyl-alpha-L-rhamnopyranose

4-O-methyl-alpha-L-rhamnopyranose

C7H14O5 (178.08411940000002)


   

2,6-diamino-2,6-dideoxy-beta-L-idopyranose

2,6-diamino-2,6-dideoxy-beta-L-idopyranose

C6H14N2O4 (178.0953524)


   
   

1,1-(Nitroimino)dipropan-2-ol

1,1-(Nitroimino)dipropan-2-ol

C6H14N2O4 (178.0953524)


   

2-O-Methyl-alpha-L-rhamnopyranose

2-O-Methyl-alpha-L-rhamnopyranose

C7H14O5 (178.08411940000002)


   

alpha-D-galactopyranosyl group

alpha-D-galactopyranosyl group

C7H14O5 (178.08411940000002)


   

1-(4-Hydroxyphenyl)pentan-3-one

1-(4-Hydroxyphenyl)pentan-3-one

C11H14O2 (178.09937440000002)


   

2-Methoxy-5-methyl-4-prop-1-enylphenol

2-Methoxy-5-methyl-4-prop-1-enylphenol

C11H14O2 (178.09937440000002)


   

(3R,4S,5R,6R)-4-methoxy-6-methyloxane-2,3,5-triol

(3R,4S,5R,6R)-4-methoxy-6-methyloxane-2,3,5-triol

C7H14O5 (178.08411940000002)


   

[(2S,3R)-3-carboxy-2,3-dihydroxypropyl]-trimethylazanium

[(2S,3R)-3-carboxy-2,3-dihydroxypropyl]-trimethylazanium

C7H16NO4+ (178.1079276)


   

2,2-Dimethyl-4-phenyl-1,3-dioxolane

2,2-Dimethyl-4-phenyl-1,3-dioxolane

C11H14O2 (178.09937440000002)


   

2-[2-(Trimethylsilyloxy)ethoxy]ethanol

2-[2-(Trimethylsilyloxy)ethoxy]ethanol

C7H18O3Si (178.1025158)


   

Trimethyl(3-(methylthio)propoxy)silane

Trimethyl(3-(methylthio)propoxy)silane

C7H18OSSi (178.08475780000003)


   

2-[Trimethylsiloxy]ethyl, ethyl sulfide

2-[Trimethylsiloxy]ethyl, ethyl sulfide

C7H18OSSi (178.08475780000003)


   
   
   
   

Isopropyl ortho toluate (1,1,1,3,3,3-D6)

Isopropyl ortho toluate (1,1,1,3,3,3-D6)

C11H14O2 (178.09937440000002)


   

Isopropyl ortho toluate (alpha,alpha,alpha-D3)

Isopropyl ortho toluate (alpha,alpha,alpha-D3)

C11H14O2 (178.09937440000002)


   

Isopropyl ortho toluate (1,1,1,2,3,3,3-D7)

Isopropyl ortho toluate (1,1,1,2,3,3,3-D7)

C11H14O2 (178.09937440000002)


   

Decahydro-4,7-methanonaphthalene-1,9-dione

Decahydro-4,7-methanonaphthalene-1,9-dione

C11H14O2 (178.09937440000002)


   

1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one

1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one

C11H14O2 (178.09937440000002)


   

3-Phenylpropyl acetate

Benzenepropanol,1-acetate

C11H14O2 (178.09937440000002)


The acetate ester of 3-phenylpropan-1-ol.

   

3-(3,5-DIMETHOXYPHENYL)-1-PROPENE

3-(3,5-DIMETHOXYPHENYL)-1-PROPENE

C11H14O2 (178.09937440000002)


   
   
   

1,8-Octanedithiol

1,8-Octanedithiol

C8H18S2 (178.0849868)


   

p-Methoxybenzylacetone

4-(4-Methoxyphenyl)-2-butanone

C11H14O2 (178.09937440000002)


Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].

   
   
   
   
   
   
   
   
   

dimethyl benzyl carbinyl formate

alpha,alpha-Dimethylphenethyl formate

C11H14O2 (178.09937440000002)


   

Methional diethyl acetal

Methional diethyl acetal

C8H18O2S (178.1027448)


   

3-methyleugenol

3-methyleugenol

C11H14O2 (178.09937440000002)


A derivative of eugenol carrying a methyl substituent at the 3-position.

   

3-Methoxy-6-methyloxane-2,4,5-triol

3-Methoxy-6-methyloxane-2,4,5-triol

C7H14O5 (178.08411940000002)


   
   

6-methyleugenol

6-methyleugenol

C11H14O2 (178.09937440000002)


A phenylpropanoid consisting of eugenol having a methyl substituent at the 6-position.

   
   

(4r,7r,9s,11r)-9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

(4r,7r,9s,11r)-9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

C11H14O2 (178.09937440000002)


   

2,4,5-trihydroxy-3-methoxyhexanal

2,4,5-trihydroxy-3-methoxyhexanal

C7H14O5 (178.08411940000002)


   

(2s,3r,4s,5s)-2-ethoxyoxane-3,4,5-triol

(2s,3r,4s,5s)-2-ethoxyoxane-3,4,5-triol

C7H14O5 (178.08411940000002)


   

(3e)-5-[(1e)-buta-1,3-dien-1-yl]-3-propylideneoxolan-2-one

(3e)-5-[(1e)-buta-1,3-dien-1-yl]-3-propylideneoxolan-2-one

C11H14O2 (178.09937440000002)


   

2,4-dimethoxy-1-[(1e)-prop-1-en-1-yl]benzene

2,4-dimethoxy-1-[(1e)-prop-1-en-1-yl]benzene

C11H14O2 (178.09937440000002)


   

(2r)-2-hydroxy-1-phenylpentan-3-one

(2r)-2-hydroxy-1-phenylpentan-3-one

C11H14O2 (178.09937440000002)


   

acetophenone ethyleneglycol cyclic acetal

acetophenone ethyleneglycol cyclic acetal

C11H14O2 (178.09937440000002)


   

(5e)-5-[(2e)-but-2-en-1-ylidene]-3-propylfuran-2-one

(5e)-5-[(2e)-but-2-en-1-ylidene]-3-propylfuran-2-one

C11H14O2 (178.09937440000002)


   

(5s)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

(5s)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C11H14O2 (178.09937440000002)


   

2-(hexa-1,3,5-trien-1-yl)-5-methyloxolan-3-one

2-(hexa-1,3,5-trien-1-yl)-5-methyloxolan-3-one

C11H14O2 (178.09937440000002)


   
   

1,2-dimethoxy-4-(1'Z-propenyl)benzene

NA

C11H14O2 (178.09937440000002)


{"Ingredient_id": "HBIN000813","Ingredient_name": "1,2-dimethoxy-4-(1'Z-propenyl)benzene","Alias": "NA","Ingredient_formula": "C11H14O2","Ingredient_Smile": "CC=CC1=CC(=C(C=C1)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(3-ethyl-2-butenyl)-4-cyclohexene-1,3,dione

NA

C11H14O2 (178.09937440000002)


{"Ingredient_id": "HBIN009903","Ingredient_name": "4-(3-ethyl-2-butenyl)-4-cyclohexene-1,3,dione","Alias": "NA","Ingredient_formula": "C11H14O2","Ingredient_Smile": "CC(=CCC1=CCC(=O)CC1=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30093","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(3-methyl-2-butenyl)-4-cyclohexene-1,3-dione

NA

C11H14O2 (178.09937440000002)


{"Ingredient_id": "HBIN009909","Ingredient_name": "4-(3-methyl-2-butenyl)-4-cyclohexene-1,3-dione","Alias": "NA","Ingredient_formula": "C11H14O2","Ingredient_Smile": "CC(=CCC1=CCC(=O)CC1=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4- guaethol

NA

C11H14O2 (178.09937440000002)


{"Ingredient_id": "HBIN010402","Ingredient_name": "4- guaethol","Alias": "NA","Ingredient_formula": "C11H14O2","Ingredient_Smile": "CCOC1=C(C=C(C=C1)C=CC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37706","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

actinidiolide

NA

C11H14O2 (178.09937440000002)


{"Ingredient_id": "HBIN014639","Ingredient_name": "actinidiolide","Alias": "NA","Ingredient_formula": "C11H14O2","Ingredient_Smile": "CC1(CC=CC2(C1=CC(=O)O2)C)C","Ingredient_weight": "178.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "583","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11084442","DrugBank_id": "NA"}

   
   

(4r,4as,5r)-4-hydroxy-5-methyl-4a,5,6,7-tetrahydro-4h-naphthalen-1-one

(4r,4as,5r)-4-hydroxy-5-methyl-4a,5,6,7-tetrahydro-4h-naphthalen-1-one

C11H14O2 (178.09937440000002)


   

4-(2-methylbut-3-en-2-yl)benzene-1,3-diol

4-(2-methylbut-3-en-2-yl)benzene-1,3-diol

C11H14O2 (178.09937440000002)


   

(2r,3r,4r,5r)-2,4,5-trihydroxy-3-methoxyhexanal

(2r,3r,4r,5r)-2,4,5-trihydroxy-3-methoxyhexanal

C7H14O5 (178.08411940000002)


   

5-[(2e)-but-2-en-1-ylidene]-3-propylfuran-2-one

5-[(2e)-but-2-en-1-ylidene]-3-propylfuran-2-one

C11H14O2 (178.09937440000002)


   

4-isopropyl-3-methoxybenzaldehyde

4-isopropyl-3-methoxybenzaldehyde

C11H14O2 (178.09937440000002)


   

(2r,3r,4r,5s)-3,4,5-trihydroxy-2-methoxyhexanal

(2r,3r,4r,5s)-3,4,5-trihydroxy-2-methoxyhexanal

C7H14O5 (178.08411940000002)


   

1-(2-hydroxyphenyl)pentan-1-one

1-(2-hydroxyphenyl)pentan-1-one

C11H14O2 (178.09937440000002)


   

9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

C11H14O2 (178.09937440000002)


   
   

4-(but-1-en-1-yl)-3-(prop-1-en-1-yl)-5h-furan-2-one

4-(but-1-en-1-yl)-3-(prop-1-en-1-yl)-5h-furan-2-one

C11H14O2 (178.09937440000002)


   
   
   
   

n-[(1s)-1-(6-methylpyridin-3-yl)ethyl]ethanimidic acid

n-[(1s)-1-(6-methylpyridin-3-yl)ethyl]ethanimidic acid

C10H14N2O (178.1106074)


   

n-[1-(6-methylpyridin-3-yl)ethyl]ethanimidic acid

n-[1-(6-methylpyridin-3-yl)ethyl]ethanimidic acid

C10H14N2O (178.1106074)


   

3-methyl-6-(pent-2-en-2-yl)pyran-2-one

3-methyl-6-(pent-2-en-2-yl)pyran-2-one

C11H14O2 (178.09937440000002)


   

(2r,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-one

(2r,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-one

C11H14O2 (178.09937440000002)


   
   

(5s)-3,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

(5s)-3,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C11H14O2 (178.09937440000002)


   

4-[(2e)-but-2-en-1-yl]-3-(prop-1-en-1-yl)-5h-furan-2-one

4-[(2e)-but-2-en-1-yl]-3-(prop-1-en-1-yl)-5h-furan-2-one

C11H14O2 (178.09937440000002)


   
   

2,4-dimethoxy-1-(prop-1-en-1-yl)benzene

2,4-dimethoxy-1-(prop-1-en-1-yl)benzene

C11H14O2 (178.09937440000002)


   

methyl 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylate

methyl 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylate

C11H14O2 (178.09937440000002)


   

(3r)-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-8-ol

(3r)-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-8-ol

C11H14O2 (178.09937440000002)


   

3-isopropyl-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

3-isopropyl-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

C10H14N2O (178.1106074)


   

3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-8-ol

3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-8-ol

C11H14O2 (178.09937440000002)


   

(2s,3s,4r,5s)-2,4,5-trihydroxy-3-methoxyhexanal

(2s,3s,4r,5s)-2,4,5-trihydroxy-3-methoxyhexanal

C7H14O5 (178.08411940000002)


   

4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C11H14O2 (178.09937440000002)


   

3,4,5-trihydroxy-2-methoxyhexanal

3,4,5-trihydroxy-2-methoxyhexanal

C7H14O5 (178.08411940000002)


   

(5e)-5-(but-2-en-1-ylidene)-3-propylfuran-2-one

(5e)-5-(but-2-en-1-ylidene)-3-propylfuran-2-one

C11H14O2 (178.09937440000002)


   

(2s,3r,4s,5r)-3,4-dimethoxyoxane-2,5-diol

(2s,3r,4s,5r)-3,4-dimethoxyoxane-2,5-diol

C7H14O5 (178.08411940000002)


   

2-methoxy-6-methyl-4-[(1z)-prop-1-en-1-yl]phenol

2-methoxy-6-methyl-4-[(1z)-prop-1-en-1-yl]phenol

C11H14O2 (178.09937440000002)


   

(2r,3s,4r,5s)-2,3,5-trihydroxy-4-methoxyhexanal

(2r,3s,4r,5s)-2,3,5-trihydroxy-4-methoxyhexanal

C7H14O5 (178.08411940000002)


   
   

(4r,7r,9s)-9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

(4r,7r,9s)-9-methyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one

C11H14O2 (178.09937440000002)


   

4-(but-2-en-1-yl)-3-(prop-1-en-1-yl)-5h-furan-2-one

4-(but-2-en-1-yl)-3-(prop-1-en-1-yl)-5h-furan-2-one

C11H14O2 (178.09937440000002)


   

2,3,5-trihydroxy-4-methoxyhexanal

2,3,5-trihydroxy-4-methoxyhexanal

C7H14O5 (178.08411940000002)


   

(2s,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-one

(2s,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-one

C11H14O2 (178.09937440000002)


   

(2s,3r,4s,5r,6s)-2-methoxy-6-methyloxane-3,4,5-triol

(2s,3r,4s,5r,6s)-2-methoxy-6-methyloxane-3,4,5-triol

C7H14O5 (178.08411940000002)


   

2-ethoxy-4-(prop-2-en-1-yl)phenol

2-ethoxy-4-(prop-2-en-1-yl)phenol

C11H14O2 (178.09937440000002)