Exact Mass: 178.1027
Exact Mass Matches: 178.1027
Found 500 metabolites which its exact mass value is equals to given mass value 178.1027,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methyleugenol
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
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
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
3-Phenylpropyl acetate
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.
Pseudooxynicotine
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
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)
2-Methylpropyl benzoate
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
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.
Osmorhizole
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
1-Phenylethyl propanoate is a flavouring agent. Flavouring agent
4-(4-Methoxyphenyl)-2-butanone
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)-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
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
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.
Phenylmethyl 2-methylpropanoate
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
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
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
alpha,alpha-Dimethylphenethyl formate is a flavouring ingredient with a spicy tast Flavouring ingredient with a spicy taste
Methyl 4-phenylbutanoate
Methyl 4-phenylbutanoate is a flavouring ingredient. Flavouring ingredient
2-Methylphenyl 2-methylpropanoate
2-Methylphenyl 2-methylpropanoate is a flavouring ingredient. Flavouring ingredient
p-Tolyl isobutyrate
p-Tolyl isobutyrate is a flavouring ingredient. Flavouring ingredient
Ethyl 3-phenylpropanoate
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
Propyl phenylacetate is a flavouring ingredient. Flavouring ingredient
Isopropyl phenylacetate
Isopropyl phenylacetate is a flavouring ingredient. Flavouring ingredient
2-Ethoxy-5-(1-propenyl)phenol
2-Ethoxy-5-(1-propenyl)phenol is a flavouring ingredient. Flavouring ingredient
Methional diethyl acetal
Methional diethyl acetal is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]
Nikethamide
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
Butyl benzoate
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.
Nikethamide
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
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
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.
Deca-4,6-diinsaeure-methylester|deca-4,6-diynoic acid methyl ester|Me ester-4, 6-Decadiynoic acid
1-Hydroxy-5-phenyl-3-pentanone
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.
(E)-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|nocapyrone F
(+)-desoxygaliellactone|(+)-desoxygaliellalactone|desoxygaliellalactone
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
Methyl isoeugenol
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
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 (5-Phenylpentanoic acid) is a pentanoic acid of bacterial origin, occasionally found in human biofluids.
Vanitrope
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
2-Amino-n-isopropylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6321; ORIGINAL_PRECURSOR_SCAN_NO 6319 CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6349; ORIGINAL_PRECURSOR_SCAN_NO 6346 CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6378; ORIGINAL_PRECURSOR_SCAN_NO 6375 CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6378; ORIGINAL_PRECURSOR_SCAN_NO 6374 CONFIDENCE standard compound; INTERNAL_ID 680; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6396; ORIGINAL_PRECURSOR_SCAN_NO 6394
pseudooxynicotine
An aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group.
Anisylacetone
Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].
Isobutyl benzoate
A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.
(S)-2-NITRO-N-(1-PHENYL-2-PYRROLIDIN-1-YL-ETHYL)-BENZENESULFONAMIDE
(R)-2-METHYL-PIPERAZINE-1,4-DICARBOXYLICACID4-BENZYLESTER1-TERT-BUTYLESTER
7-(DIFLUOROMETHYL)-5-METHYL-4,5,6,7-TETRAHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
6-CYCLOPROPYL-3-METHYL-ISOXAZOLO[5,4-B]PYRIDINE-4-CARBOXYLIC ACID
(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL
(4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)Methanamine
3-(3-aminophenyl)-N-methylpropanamide(SALTDATA: 2HCl)
(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine(SALTDATA: CH3SO3H)
R(-)-8A-METHYL-3,4,8,8A-TETRAHYDRO-1,6(2H,7H)-NAPHTHALENENDIONE
4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE
3,6,6-TRIMETHYL-1,5,6,7-TETRAHYDRO-4H-INDAZOL-4-ONE
2-(1-Phenylethyl)-1,3-dioxolane
A dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.
2-(METHYLAMINO)-N-(4-METHYLPHENYL)ACETAMIDE HYDROCHLORIDE
8-HYDROXYMETHYL-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPIN
5-Methyleugenol
A phenylpropanoid consisting of eugenol having a methyl substituent at the 5-position.
Pyridine, 3-((1R,2S)-1-methyl-1-oxido-2-pyrrolidinyl)-
(S)-4,7a-Dimethyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-3,6-dimethyl-
93-15-2
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].
93-16-3
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].
(E)-Methyl isoeugenol
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 .
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
[(2S,3R)-3-carboxy-2,3-dihydroxypropyl]-trimethylazanium
1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one
p-Methoxybenzylacetone
Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1].
Glycinexylidide
A amino acid amide with 2,6-dimethylaniline and glycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.
3-methyleugenol
A derivative of eugenol carrying a methyl substituent at the 3-position.
6-methyleugenol
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
(3e)-5-[(1e)-buta-1,3-dien-1-yl]-3-propylideneoxolan-2-one
(5e)-5-[(2e)-but-2-en-1-ylidene]-3-propylfuran-2-one
(5s)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
1,2-dimethoxy-4-(1'Z-propenyl)benzene
{"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
{"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
{"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
{"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
{"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"}
