Exact Mass: 152.100123
Exact Mass Matches: 152.100123
Found 500 metabolites which its exact mass value is equals to given mass value 152.100123,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
2,6,6-trimethyl-2-cyclohexene-1,4-dione, also known as ketoisophorone, is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 2,6,6-trimethyl-2-cyclohexene-1,4-dione is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,6,6-trimethyl-2-cyclohexene-1,4-dione is a sweet, leaf, and musty tasting compound found in herbs and spices and tea, which makes 2,6,6-trimethyl-2-cyclohexene-1,4-dione a potential biomarker for the consumption of these food products. 2,6,6-trimethyl-2-cyclohexene-1,4-dione exists in all eukaryotes, ranging from yeast to humans. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is a member of cyclohexenones. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is a natural product found in Nicotiana bonariensis, Amauris echeria, and other organisms with data available. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is found in herbs and spices. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is present in saffron (Crocus sativus) and tea; flavouring ingredient.
3-(4-Hydroxyphenyl)-1-propanol
3-(4-Hydroxyphenyl)-1-propanol is a constituent of Pinus sylvestris (Scotch pine) 3-(4-Hydroxyphenyl)-1-propanol is used in the synthesis of (-)-centrolobine.
4-Ethyl-2-methoxyphenol
Constituent of numerous plant subspecies and cooked foods. Flavouring agent. 4-Ethyl-2-methoxyphenol is found in many foods, some of which are red bell pepper, green bell pepper, beer, and arabica coffee. 4-Ethyl-2-methoxyphenol is found in arabica coffee. 4-Ethyl-2-methoxyphenol is a constituent of numerous plant species and cooked foods. 4-Ethyl-2-methoxyphenol is a flavouring agent.
4-(Ethoxymethyl)phenol
4-(Ethoxymethyl)phenol is a constituent of Vanilla fragrans (vanilla). Constituent of Vanilla fragrans (vanilla)
3,5-Dimethoxytoluene
3,5-Dimethoxytoluene belongs to the family of Anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof
2-Isopropyl-3-methoxypyrazine
Occurs in petitgrain and galbanum oil. Perfumery and flavouring ingredient. Associated with musty/earthy aromas of marine fish, cheeses, drinking water and a wide range of vegetables. Component of *FEMA 3358*. 2-Isopropyl-3-methoxypyrazine is found in many foods, some of which are red bell pepper, green bell pepper, fishes, and pepper (c. annuum). 2-Isopropyl-3-methoxypyrazine is found in fishes. 2-Isopropyl-3-methoxypyrazine occurs in petitgrain and galbanum oil. Perfumery and flavouring ingredient. Associated with musty/earthy aromas of marine fish, cheeses, drinking water and a wide range of vegetables. 2-Isopropyl-3-methoxypyrazine is a component of *FEMA 3358*.
2-Isopropyl-1,4-benzenediol
2-Isopropyl-1,4-benzenediol is an antioxidant for fats and oil
2-Methoxy-(3 or 5 or 6)-isopropylpyrazine
2-Methoxy-(3 or 5 or 6)-isopropylpyrazine is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-(5-Methyl-2-furanyl)butanal
3-(5-Methyl-2-furanyl)butanal is a flavouring ingredien Flavouring ingredient
2-Propenyl 2,4-hexadienoate
2-Propenyl 2,4-hexadienoate is a flavouring ingredien Flavouring ingredient
1-(2-Furanyl)-1-pentanone
1-(2-Furanyl)-1-pentanone is found in animal foods. 1-(2-Furanyl)-1-pentanone is a volatile constituent of rice smoke flavouring and roast beef. Volatile constituent of rice smoke flavouring and roast beef. 1-(2-Furanyl)-1-pentanone is found in animal foods.
2-Isopropyl-5-methoxypyrazine
2-Isopropyl-5-methoxypyrazine is found in alcoholic beverages. 2-Isopropyl-5-methoxypyrazine is a flavouring ingredient. 2-Isopropyl-5-methoxypyrazine is reported in asparagus, cabbage, peas, carrot, cucumber, lettuce, onion, potato, bell pepper, ginger, white wine, coffee, peanut, beans, beetroot, parsnip and dill. Flavouring ingredient. Reported in asparagus, cabbage, peas, carrot, cucumber, lettuce, onion, potato, bell pepper, ginger, white wine, coffee, peanut, beans, beetroot, parsnip and dill. 2-Isopropyl-5-methoxypyrazine is found in many foods, some of which are fruits, root vegetables, nuts, and brassicas.
2-Isopropyl-6-methoxypyrazine
Flavouring ingredient. Reported in asparagus, cabbage, peas, carrot, cucumber, lettuce, onion, potato, bell pepper, ginger, white wine, coffee, peanut, beans, beetroot, parsnip and dill. 2-Isopropyl-6-methoxypyrazine is found in many foods, some of which are root vegetables, onion-family vegetables, green vegetables, and alcoholic beverages. 2-Isopropyl-6-methoxypyrazine is found in alcoholic beverages. 2-Isopropyl-6-methoxypyrazine is a flavouring ingredient. 2-Isopropyl-6-methoxypyrazine is reported in asparagus, cabbage, peas, carrot, cucumber, lettuce, onion, potato, bell pepper, ginger, white wine, coffee, peanut, beans, beetroot, parsnip and dill.
2-(Ethoxymethyl)phenol
2-(Ethoxymethyl)phenol is a flavouring agent. Flavouring agent
(Dimethoxymethyl)benzene
(Dimethoxymethyl)benzene, also known as benzaldehyde dimethyl acetal or alpha,alpha-dimethoxytoluene, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene)(Dimethoxymethyl)benzene is an almond, floral, and fruity tasting compound. (Dimethoxymethyl)benzene has been detected, but not quantified, in green vegetables and potato. This could make (dimethoxymethyl)benzene a potential biomarker for the consumption of these foods. Constituent of rhubarb and potato. It is used in perfumery and food flavouring. (Dimethoxymethyl)benzene is found in green vegetables and potato.
2-Isopropoxyphenol
2-isopropoxyphenol belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
N-methylphenylethanolaminium
N-methylphenylethanolaminium is also known as (2-Hydroxy-2-phenylethyl)(methyl)azanium. N-methylphenylethanolaminium is considered to be practically insoluble (in water) and relatively neutral
Ethyl guaiacol
Ethyl guaiacol is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. Ethyl guaiacol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl guaiacol can be found in chinese cinnamon, which makes ethyl guaiacol a potential biomarker for the consumption of this food product.
1,2-Dimethoxy-4-methylbenzene
1,2-dimethoxy-4-methylbenzene 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. 1,2-dimethoxy-4-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-dimethoxy-4-methylbenzene can be found in tea, which makes 1,2-dimethoxy-4-methylbenzene a potential biomarker for the consumption of this food product.
2-(4-Methoxyphenyl)ethanol
4-Methoxyphenethyl alcohol, an aromatic alcohol, is the major component in the anise-like odour produced by Amorphophallus. 4-Methoxyphenethyl alcohol can inhibits the protein, RNA and DNA synthesis in Escherichia coli[1]. 4-Methoxyphenethyl alcohol, an aromatic alcohol, is the major component in the anise-like odour produced by Amorphophallus. 4-Methoxyphenethyl alcohol can inhibits the protein, RNA and DNA synthesis in Escherichia coli[1].
3,5-Dimethoxytoluene
A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties.
2-isopropyl-6-methylpyrimidin-4-ol
A hydroxypyrimidine that is pyrimidine substituted by an isopropyl group at position 2, a methyl group at position 6 and a hydroxy group at position 4.
5-methyl-2,3,4,5-tetrahydro-[2,3]bifuranyl|alpha-Methyl-alpha-(beta-furyl)-tetrahydrofuran
Tox21_300755
4-Methoxyphenethyl alcohol is a natural product found in Amorphophallus albispathus, Mimusops elengi, and other organisms with data available. 4-Methoxyphenethyl alcohol, an aromatic alcohol, is the major component in the anise-like odour produced by Amorphophallus. 4-Methoxyphenethyl alcohol can inhibits the protein, RNA and DNA synthesis in Escherichia coli[1]. 4-Methoxyphenethyl alcohol, an aromatic alcohol, is the major component in the anise-like odour produced by Amorphophallus. 4-Methoxyphenethyl alcohol can inhibits the protein, RNA and DNA synthesis in Escherichia coli[1].
pyrimidinol
CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5254; ORIGINAL_PRECURSOR_SCAN_NO 5253 CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5263; ORIGINAL_PRECURSOR_SCAN_NO 5262 CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5290; ORIGINAL_PRECURSOR_SCAN_NO 5288 CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5293; ORIGINAL_PRECURSOR_SCAN_NO 5292 INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5293; ORIGINAL_PRECURSOR_SCAN_NO 5292 CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5295; ORIGINAL_PRECURSOR_SCAN_NO 5294 CONFIDENCE standard compound; INTERNAL_ID 233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5294; ORIGINAL_PRECURSOR_SCAN_NO 5292 CONFIDENCE standard compound; INTERNAL_ID 2870 CONFIDENCE standard compound; INTERNAL_ID 8814 CONFIDENCE standard compound; INTERNAL_ID 8203 CONFIDENCE standard compound; INTERNAL_ID 4195 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2706 CONFIDENCE standard compound; INTERNAL_ID 2071
3-(4-Hydroxyphenyl)-1-propanol
3-(4-Hydroxyphenyl)-1-propanol is used in the synthesis of (-)-centrolobine.
4-g-Hydroxypropylphenol
3-(4-Hydroxyphenyl)-1-propanol is used in the synthesis of (-)-centrolobine.
1-Cyclopentene-1-carboxylicacid,2-propenylester(9CI)
1-Cyclopentene-1-acetaldehyde, 2-formyl-3-methyl- (9CI)
Ethanone, 1-(1,2,4-trimethyl-1H-imidazol-5-yl)- (9CI)
1H-Indene-2-methanol,2,3,3a,4,7,7a-hexahydro-,(cis)-(9CI)
2,5-DIMETHYL-4,5,6,7-TETRAHYDRO-OXAZOLO[4,5-C]PYRIDINE
Hotrienol
Present in wine and kiwifruit. Flavouring ingredient for beverages, confectionery etc. Hotrienol is found in many foods, some of which are alcoholic beverages, fruits, beverages, and black elderberry.
5-Methyl-4,5,6,7-tetrahydro Pyrazolo[1,5-a]pyrazin-2-amine
2-METHYLBICYCLO[2.2.1]-5-HEPTENE-2-CARBOXYLIC ACID
1H,5H-Pyrazolo[1,2-a]pyrazol-1-one,6,7-dihydro-2,3-dimethyl-
3-exo-Aminobicyclo[2.2.1]hept-5-ene-2-exo-carboxamide
1-Cyclopentene-1-carboxylicacid,2-(2-propenyl)-(9CI)
1H-1,2,3-Triazolo[4,5-c]pyridine,4,5,6,7-tetrahydro-1,5-dimethyl-(9CI)
(4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIDIN-2-YL)METHANOL
()-(1α,2β,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S)-
Bicyclo[4.1.0]hept-4-en-3-ol, 3,7,7-trimethyl- [1S-(1-alpha,3-alpha, 6-alpha)]-
4,7-Methano-1H-inden-5-ol, octahydro-, (3aR,4R,5S,7R,7aR)-
Tricyclo[5.1.0.02,4]octane-5-carboxylic acid (9CI)
[1R-(1alpha,2beta,4beta,6alpha)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
(+)-trans-Pinocarveol
(-)-trans-pinocarveol, also known as (-)-trans-2(10)-pinen-3-ol or (1s,3r,5s)-(-)-2(10)-pinen-3-ol, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (-)-trans-pinocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (-)-trans-pinocarveol can be found in a number of food items such as cumin, sweet bay, pepper (spice), and common sage, which makes (-)-trans-pinocarveol a potential biomarker for the consumption of these food products.
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
trans-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
30465_FLUKA
trans,trans-2,4-Decadienal is a lipid peroxidation product of linolieic acid[1]. trans,trans-2,4-Decadienal is a lipid peroxidation product of linolieic acid[1].
4-Methoxyphenethyl alcohol
4-Methoxyphenethyl alcohol, an aromatic alcohol, is the major component in the anise-like odour produced by Amorphophallus. 4-Methoxyphenethyl alcohol can inhibits the protein, RNA and DNA synthesis in Escherichia coli[1]. 2-(4-Methoxyphenyl)ethanol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=702-23-8 (retrieved 2024-08-21) (CAS RN: 702-23-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
AI3-12108
3-(4-Hydroxyphenyl)-1-propanol is used in the synthesis of (-)-centrolobine.
cis-2-Carveol
(-)-cis-carveol, also known as cis-P-mentha-6,8-dien-2-ol, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, (-)-cis-carveol is considered to be an isoprenoid lipid molecule (-)-cis-carveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (-)-cis-carveol is a spearmint tasting compound found in citrus, which makes (-)-cis-carveol a potential biomarker for the consumption of this food product.
D-CAMPHOR
(+)-camphor, also known as formosa camphor or 2-bornanone, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (+)-camphor is considered to be an isoprenoid lipid molecule (+)-camphor is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-camphor is a bitter, camphor, and herbal tasting compound and can be found in a number of food items such as sugar apple, sunflower, fennel, and cardamom, which makes (+)-camphor a potential biomarker for the consumption of these food products. (+)-Camphor is a food additive used medicinally as a preservative. (+)-Camphor is a food additive used medicinally as a preservative. (+)-Camphor is a food additive used medicinally as a preservative. (+)-Camphor is a food additive used medicinally as a preservative.
(-)-Fenchone
Isolated from various essential oils e.g. Thuja occidentalis and Artemisia frigida. Flavouring ingredient [CCD] (-)-Fenchone, a bicyclic monoterpene, is widely distributed in plants and found in essential oils from Foeniculum vulgare. (-)-Fenchone is oxidized to 6-endo-hydroxyfenchone, 6-exo-hydroxyfenchone and 10-hydroxyfenchone derivatives by CYP2A6 and CYP2B6 in human liver microsomes with CYP2A6 playing a more important role than CYP2B6[1]. (-)-Fenchone, a bicyclic monoterpene, is widely distributed in plants and found in essential oils from Foeniculum vulgare. (-)-Fenchone is oxidized to 6-endo-hydroxyfenchone, 6-exo-hydroxyfenchone and 10-hydroxyfenchone derivatives by CYP2A6 and CYP2B6 in human liver microsomes with CYP2A6 playing a more important role than CYP2B6[1]. (-)-Fenchone, a bicyclic monoterpene, is widely distributed in plants and found in essential oils from Foeniculum vulgare. (-)-Fenchone is oxidized to 6-endo-hydroxyfenchone, 6-exo-hydroxyfenchone and 10-hydroxyfenchone derivatives by CYP2A6 and CYP2B6 in human liver microsomes with CYP2A6 playing a more important role than CYP2B6[1]. (-)-Fenchone, a bicyclic monoterpene, is widely distributed in plants and found in essential oils from Foeniculum vulgare. (-)-Fenchone is oxidized to 6-endo-hydroxyfenchone, 6-exo-hydroxyfenchone and 10-hydroxyfenchone derivatives by CYP2A6 and CYP2B6 in human liver microsomes with CYP2A6 playing a more important role than CYP2B6[1].
(+)-limonene oxide
Isolated from oil of Cymbopogon subspecies, orange (Citrus sinensis), Japanese pepper tree (Zanthoxylum piperitum) and others. 1,2-Epoxy-p-menth-8-ene is found in spearmint, citrus, and herbs and spices.
(+)-dihydrocarvone
(1r,4r)-dihydrocarvone, also known as (2r,5r)-2-methyl-5-isopropenylcyclohexanone, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, (1r,4r)-dihydrocarvone is considered to be an isoprenoid lipid molecule (1r,4r)-dihydrocarvone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (1r,4r)-dihydrocarvone is a herbal and minty tasting compound found in spearmint, which makes (1r,4r)-dihydrocarvone a potential biomarker for the consumption of this food product.
(S)-(?)-Perillyl alcohol
Occurs in a variety of essential oils, e.g. lavender (S)-(?)-Perillyl alcohol is a monoterpene found in lavender, inhibits farnesylation of Ras, upregulates the mannose-6-phosphate receptor and induces apoptosis. Anti-cancer activity[1]. (S)-(?)-Perillyl alcohol is a monoterpene found in lavender, inhibits farnesylation of Ras, upregulates the mannose-6-phosphate receptor and induces apoptosis. Anti-cancer activity[1].
laevo-pinocarveol
Constituent of oil of Eucalyptus globulus (Tasmanian blue gum)
(2E,4E)-Decadienal
Present in apple, bitter orange peel oil, mandarin peel oil, wheat bread, cooked beef, raw cured pork, cooked scented rice, quince, maize, dried bonito, clary sage (Salvia sclarea), water yam (Dioscerea alata) melon and peas. Flavouring agent. (2E,4E)-Decadienal is found in many foods, some of which are cereals and cereal products, herbs and spices, animal foods, and pomes. trans,trans-2,4-Decadienal is a lipid peroxidation product of linolieic acid[1]. trans,trans-2,4-Decadienal is a lipid peroxidation product of linolieic acid[1].
α-campholenaldehyde
Constituent of many essential oils of Juniperus, Eucalyptus and Thymus subspecies (R)-Campholenic aldehyde is found in sunflower and fruits.
(-)-DIHYDROCARVONE
A dihydrocarvone in (S,S) configuration. The (1S,4R)-stereoisomer of dihydrocarvone.
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
A dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration.
N-Methyltyraminium
The conjugate acid of N-methyltyramine; major species at pH 7.3.
N-methylphenylethanolaminium
An ammonium ion that is the conjugate acid of N-methylphenylethanolamine; major species at pH 7.3.
1-(4-Hydroxyphenyl)propan-2-ylazanium
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics
(4R)-ipsdienol
A meroterpenoid that is (4R)-octa-2,7-dien-4-ol substituted at positions 2 and 6 by methyl and methylidene groups respectively.
Cumyl hydroperoxide
A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. D009676 - Noxae > D016877 - Oxidants
3-propylcatechol
A member of the class of catechols that is catechol which is substituted by a propyl group at position 3. It is a chemical component in tobacco.
Pinocarveol
A pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3.
Nerol oxide
A member of the class of pyrans that is 3,6-dihydro-2H-pyran which is substituted at positions 2 and 4 by a 2-methylprop-1-en-1-yl group and a methyl group, respectively.
(1R,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
1-p-menth-1-ene-9-al
A monoterpenoid that is propanal substituted by a 4-methylcyclohex-3-en-1-yl group at position 2.
2-isopropyl-6-methyl-4-pyrimidinone
A pyrimidone that is pyrimidin-4(1H)-one substituted by a methyl group at position 6 and an isopropyl group at position 2. It is a metabolite of diazinon.
Limonene 1,2-epoxide
An epoxide resulting from the formal epoxidation of the cyclic double bond of limonene.
alpha-campholenaldehyde
An aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina.
(1S,4R)-fenchone
A fenchone that has 1S,4R stereochemistry. A colourless, oily liquid found in fennel oil, it is used in perfumery and as flavour in foods.
4-hydroxy-3-methyl-2-(prop-2-en-1-yl)cyclopent-2-en-1-one
2,3-dimethyl-5-methoxyphenol
{"Ingredient_id": "HBIN004062","Ingredient_name": "2,3-dimethyl-5-methoxyphenol","Alias": "NA","Ingredient_formula": "C9H12O2","Ingredient_Smile": "CC1=CC(=CC(=C1C)O)OC","Ingredient_weight": "152.19 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8932","PubChem_id": "592450","DrugBank_id": "NA"}
(5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde
{"Ingredient_id": "HBIN011895","Ingredient_name": "(5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde","Alias": "(5R)-2-methyl-5-(2-oxoethyl)-1-cyclopentenecarboxaldehyde; (5R)-5-(2-ketoethyl)-2-methyl-cyclopentene-1-carbaldehyde","Ingredient_formula": "C9H12O2","Ingredient_Smile": "NA","Ingredient_weight": "152.19","OB_score": "51.55846749","CAS_id": "203508-76-3","SymMap_id": "SMIT12762","TCMID_id": "NA","TCMSP_id": "MOL011924","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}