Exact Mass: 198.1593
Exact Mass Matches: 198.1593
Found 274 metabolites which its exact mass value is equals to given mass value 198.1593,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(±)-Citronellyl acetate
(±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
(±)-Menthyl acetate
(±)-menthyl acetate, also known as dl-P-menth-3-yl acetate, 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 (±)-menthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-menthyl acetate can be found in cornmint, which makes (±)-menthyl acetate a potential biomarker for the consumption of this food product. (±)-Menthyl acetate is found in cornmint. (±)-Menthyl acetate is a component of peppermint oil. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
trans-Dodec-2-enoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. trans-Dodec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-Dodec-2-enoic acid is converted from (R)-3-Hydroxydodecanoic acid via two enzymes; fatty-acid Synthase and 3-Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. trans-Dodec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-Dodec-2-enoic acid is converted from (R)-3-Hydroxydodecanoic acid via two enzymes; fatty-acid Synthase and 3-Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61).
(+)-Neomenthyl acetate
(+)-neomenthyl acetate 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 (+)-neomenthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-neomenthyl acetate can be found in orange mint and peppermint, which makes (+)-neomenthyl acetate a potential biomarker for the consumption of these food products.
xi-5-Dodecanolide
Xi-5-dodecanolide, also known as (+/-)-6-heptyltetrahydro-2h-pyran-2-one or (+/-)-delta-heptyl-delta-valerolactone, is a member of the class of compounds known as delta valerolactones. Delta valerolactones are cyclic organic compounds containing an oxan-2- one moiety. Thus, xi-5-dodecanolide is considered to be a fatty ester lipid molecule. Xi-5-dodecanolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-5-dodecanolide can be found in alcoholic beverages, fruits, herbs and spices, and milk and milk products, which makes xi-5-dodecanolide a potential biomarker for the consumption of these food products. xi-5-Dodecanolide is found in alcoholic beverages. xi-5-Dodecanolide is isolated from coconut oil, peach, raspberry, strawberry and other fruits, peppermint oil, cheeses, cooked meats and white wine.
xi-Dihydro-5-octyl-2(3H)-furanone
xi-Dihydro-5-octyl-2(3H)-furanone is found in alcoholic beverages. xi-Dihydro-5-octyl-2(3H)-furanone is present in orange peel oil, various fruits, kumquat peel oil, milk, cooked beef, raw cured pork, roasted peanut, coriander leaf, cheeses and unprocessed rice. xi-Dihydro-5-octyl-2(3H)-furanone is a flavouring ingredient. It is used in perfumery and flavour industries.
5-dodecenoate (12:1n7)
5Z-Dodecenoic acid, also known as 5-dodecenoic acid or 5-dodecenoate, is a monounsaturated fatty acid that has a C12 chain as a backbone and a cis double bond at the C5 position. 5-Dodecenoic acid is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 5-dodecenoic acid is considered to be a fatty acid lipid molecule. 5-Dodecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 5-dodecenoic acid is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space. An increase of 5-dodecenoic acid in plasma is associated with acyl-CoA dehydrogenase deficiency disorders (PMID: 7586519). 5-Dodecenoic acid is an intermediate of unsaturated fatty acid oxidation. 5-Dodecenoic acid is an intermediate of unsaturated fatty acid oxidation. An increase of 5-dodecenoic acid in plasma is associated with acyl-CoA dehydrogenase deficiency disorders. (PMID 7586519) [HMDB] cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Rhodinyl acetate
Rhodinyl acetate is a flavouring ingredient. Flavouring ingredient
2-Hexenyl hexanoate
2-Hexenyl hexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
11-Dodecenoic acid
11-Dodecenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Ethyl 4-decenoate
Ethyl 4-decenoate is a flavouring ingredient. Flavouring ingredient
Methyl 10-undecenoate
Methyl 10-undecenoate is a flavouring ingredient. [CCD Flavouring ingredient. [CCD]
cis-3-Hexenyl hexanoate
Constituent of tabasco peppers (Capsicum frutescens). Aroma component of green teaand is also present in orange peel oil, guava fruit, feijoa fruit, purple passion fruit and other fruits. Flavouring agent. cis-3-Hexenyl hexanoate is found in many foods, some of which are fruits, tea, citrus, and herbs and spices. cis-3-Hexenyl hexanoate is found in citrus. cis-3-Hexenyl hexanoate is a constituent of tabasco peppers (Capsicum frutescens). Aroma component of green tea. Also present in orange peel oil, guava fruit, feijoa fruit, purple passion fruit and other fruits. cis-3-Hexenyl hexanoate is a flavouring agent.
Allyl nonanoate
Allyl nonanoate is a flavouring ingredien Flavouring ingredient
cis-4-Decenyl acetate
cis-4-Decenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2,6-Dimethyl-5-heptenal propyleneglycol acetal
2,6-Dimethyl-5-heptenal propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Citronellyl acetate
Citronellyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
5,5-Dibutyl-4,5-dihydro-2(3H)furanone
5,5-Dibutyl-4,5-dihydro-2(3H)furanone is a flavouring ingredien Flavouring ingredient
Methyl 9-undecenoate
Methyl 9-undecenoate is a flavouring ingredient with a brandy-like flavour. Flavouring ingredient with a brandy-like flavour
Ethyl 2-decenoate
Ethyl 2-decenoate is a flavouring agent. Flavouring agent
1-Ethenylhexyl butanoate
1-Ethenylhexyl butanoate is a flavouring ingredient. Flavouring ingredient
3-Heptyldihydro-5-methyl-2(3H)-furanone
3-Heptyldihydro-5-methyl-2(3H)-furanone is a flavouring ingredient. Flavouring ingredient
2-Octenyl butyrate
2-Octenyl butyrate is a flavouring ingredient. Flavouring ingredient
Hexyl 2E-hexenoate
Hexyl 2E-hexenoate is a flavouring ingredient. Flavouring ingredient
7-Hexyl-2-oxepanone
7-Hexyl-2-oxepanone is a food flavouring ingredient for candies, dairy products and soft drinks. Food flavouring ingredient for candies, dairy products and soft drinks
Hexyl 2-methyl-3-pentenoate
Hexyl 2-methyl-3-pentenoate is a flavouring ingredient. Hexyl 2-methyl-3-pentenoate is a component of *FEMA 3693* together with the 4-methyl isomer. Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer
Hexyl 2-methyl-4-pentenoate
Hexyl 2-methyl-4-pentenoate is a flavouring ingredient. Hexyl 2-methyl-4-pentenoate is a component of *FEMA 3693* used for flavouring chewing gum, confectionery and beverages. Flavouring ingredient. Component of *FEMA 3693* used for flavouring chewing gum, confectionery and beverages
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene is a flavouring ingredient. Flavouring ingredient
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde is a flavouring ingredient. Flavouring ingredient
2,2'-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
Hex-trans-2-enyl hexanoate
Hex-trans-2-enyl hexanoate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Hex-trans-2-enyl hexanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-2-enyl hexanoate can be found in tea, which makes hex-trans-2-enyl hexanoate a potential biomarker for the consumption of this food product.
1-Menthol acetate
1-menthol acetate 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. 1-menthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-menthol acetate can be found in spearmint, which makes 1-menthol acetate a potential biomarker for the consumption of this food product.
Isomenthol acetate
Isomenthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isomenthol acetate can be found in peppermint and spearmint, which makes isomenthol acetate a potential biomarker for the consumption of these food products.
Neoisomenthol acetate
Neoisomenthol acetate 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. Neoisomenthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Neoisomenthol acetate can be found in peppermint, which makes neoisomenthol acetate a potential biomarker for the consumption of this food product.
dihydroterpinyl acetate
Flavouring compound [Flavornet]
cis-5-dodecenoic acid
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Menthyl acetate
?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
3,4-Methylen-decansaeuremethylester|Cascarill-saeuremethylester|Cascarillicsaeure-methylester
Menthyl_acetate
(+/-)-Menthyl acetate is a p-menthane monoterpenoid. Menthyl acetate is a natural product found in Mentha canadensis with data available. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
(±)-Citronellyl acetate
Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a citronellol. Citronellyl acetate is a natural product found in Mikania cordifolia, Cinnamomum sieboldii, and other organisms with data available. Citronellyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Java citronella oil (part of). (±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
δ-Dodecalactone
[Raw Data] CB026_delta-Dodecalactone_pos_20eV_CB000013.txt [Raw Data] CB026_delta-Dodecalactone_pos_10eV_CB000013.txt
γ Dodecalactone
[Raw Data] CB027_gamma-Dodecalactone_pos_30eV_CB000014.txt [Raw Data] CB027_gamma-Dodecalactone_pos_20eV_CB000014.txt [Raw Data] CB027_gamma-Dodecalactone_pos_10eV_CB000014.txt
5Z-dodecenoic acid
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
5-Dodecenoate
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Methyl undecenate
A fatty acid methyl ester of 10-undecenoic acid.
Citronellyl acetate
Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
(2S,4R,6R,8S)-2,4,8-Trimethyl-1,7-dioxaspiro-[5.5]undecane
(6R,8S)-2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane
4-(Ethenyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
Cyclohexanol, 1-methyl-4-(1-methylethyl)-, 1-acetate
D003358 - Cosmetics
2-Methyl-3-{2-methyl-1-[(2-methylprop-2-en-1-yl)oxy]propoxy}prop-1-ene
(±)-Menthyl acetate
Component of peppermint oil. (±)-Menthyl acetate is found in many foods, some of which are herbs and spices, spearmint, cornmint, and ginger.
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-
Menthyl acetate
?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
cis-5-dodecenoic acid
The cis-stereoisomer of 5-dodecenoic acid. cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
2,2-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
gamma-Dodecalactone
A gamma-lactone that is oxolan-2-one substituted by an octyl group at position 5.
ethyl (2E)-2-decenoate
A fatty acid ethyl ester obtained by the formal condensation of trans-2-decenoic acid with ethanol.
(1r,4s,4as,8ar)-4,8a-dimethyl-octahydronaphthalene-1,4a-diol
1-Cyclohexyl-3-ethoxy-2-butanone
{"Ingredient_id": "HBIN002463","Ingredient_name": "1-Cyclohexyl-3-ethoxy-2-butanone","Alias": "NA","Ingredient_formula": "C12H22O2","Ingredient_Smile": "CCOC(C)C(=O)CC1CCCCC1","Ingredient_weight": "198.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40267","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "552107","DrugBank_id": "NA"}
