Exact Mass: 168.16264
Exact Mass Matches: 168.16264
Found 500 metabolites which its exact mass value is equals to given mass value 168.16264,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geranic acid
Geranic acid, also known as 3,7-dimethylocta-2,6-dienoate or geranate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, geranic acid is considered to be a fatty acid lipid molecule. Geranic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Geranic acid, or 3,7-dimethyl-2,6-octadienoic acid, is a pheromone used by some organisms. It is a double bond isomer of nerolic acid . Geranic acid is found in cardamom. Geranic acid is present in petitgrain, lemongrass and other essential oil
Chrysanthemic acid
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
6-oxocineole
xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one
1,2-campholide is a member of the class of compounds known as lactones. Lactones are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Thus, 1,2-campholide is considered to be an isoprenoid lipid molecule. 1,2-campholide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-campholide can be found in herbs and spices, which makes 1,2-campholide a potential biomarker for the consumption of this food product. xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one is found in herbs and spices. Intermed. metabolite of camphor in mature sage.
(Z)-3,5-Hexadienyl butyrate
(z)-3,5-hexadienyl butyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid (z)-3,5-hexadienyl butyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3,5-hexadienyl butyrate can be found in passion fruit, which makes (z)-3,5-hexadienyl butyrate a potential biomarker for the consumption of this food product.
(+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde
Fliederaldehyde is found in tea. Fliederaldehyde is isolated from bergamot oil. Isolated from bergamot oil. Fliederaldehyde is found in tea.
(+)-Iridodial
An iridodial that is (1R,2R)-2-[(2R)-1-oxopropan-2-yl]cyclopentanecarbaldehyde substituted by a methyl group at position 2 (2S-stereoisomer).
Ascaridole
Ascaridole is found in cardamom. Said to be the major constituent of oil of Peumus boldus (boldo).Ascaridole is a natural organic compound classified as a bicyclic monoterpene that has an unusual bridging peroxide functional group. It is the primary constituent of the oil of Mexican Tea (Dysphania ambrosioides, formerly Chenopodium ambrosioides). It is a colorless liquid that is soluble in most organic solvents. Like other low molecular weight organic peroxides, it is unstable and prone to explosion when heated or treated with organic acids Said to be the major constituent of oil of Peumus boldus (boldo) D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(+/-)-2-Hydroxypiperitone
(+/-)-2-hydroxypiperitone, also known as 2-hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one or barosma camphor, 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, (+/-)-2-hydroxypiperitone is considered to be an isoprenoid lipid molecule (+/-)-2-hydroxypiperitone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (+/-)-2-hydroxypiperitone is a blackcurrant, buchu, and leaves tasting compound found in blackcurrant, peppermint, and spearmint, which makes (+/-)-2-hydroxypiperitone a potential biomarker for the consumption of these food products.
4-isopropenyl-7-methyloxepan-2-one
(3S)-3-hydroxycyclocitral
(3s)-3-hydroxycyclocitral, also known as 3beta-hydroxy-beta-cyclocitral, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl) (3s)-3-hydroxycyclocitral is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (3s)-3-hydroxycyclocitral can be found in a number of food items such as garden tomato (variety), malabar plum, lime, and pot marjoram, which makes (3s)-3-hydroxycyclocitral a potential biomarker for the consumption of these food products.
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol is found in crustaceans. (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol is found in polluted water, causes objectionable odour of water supplies. Implicated in off-flavour of freshwater fish and shellfis Found in polluted water, causes objectionable odour of water supplies. Implicated in off-flavour of freshwater fish and shellfish
5,6-Dihydro-6-pentyl-2H-pyran-2-one
(R)-5,6-Dihydro-6-pentyl-2H-pyran-2-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") Present in blackberries and cane molasses. Flavouring ingredient. 5,6-Dihydro-6-pentyl-2H-pyran-2-one is found in fruits. Massoia lactone is a natural product found in Allium cepa and Perilla frutescens with data available.
2-Undecenal
(E)-2-Undecenal is a component of dried/smoked fish aroma. It is found in leaf and flower essential oils, and fruit (orange peel and blackberries), butter, cooked chicken, beef, mutton, pork and roasted nuts. Used as a flavouring ingredient. it is also found in milk and spices. (Z)-2-Undecenal is found in animal foods. (Z)-2-Undecenal is a component of roasted chicken/guinea hen meat and mango aroma.
Ethyl (4Z)-4,7-octadienoate
Ethyl (4Z)-4,7-octadienoate is found in fruits. Aroma component of purple passion fruit (Passiflora edulis). Ethyl (4Z)-4,7-octadienoate is a flavouring agent Aroma component of purple passion fruit (Passiflora edulis). Flavouring agent. Ethyl (4Z)-4,7-octadienoate is found in fruits.
Epoxyartemisia ketone
Epoxyartemisia ketone is found in mugwort. Epoxyartemisia ketone is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort). Epoxyartemisia ketone is found in mugwort.
6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one is found in citrus. 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one is a constituent of Citrus junos (yuzu) Constituent of Citrus junos (yuzu). 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one is found in citrus.
1-Dodecene
1-dodecene is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 1-dodecene is considered to be a hydrocarbon lipid molecule. 1-dodecene can be found in soy bean, which makes 1-dodecene a potential biomarker for the consumption of this food product. 1-dodecene can be found primarily in saliva. 1-dodecene exists in all eukaryotes, ranging from yeast to humans. 1-dodecene is an alkene with the formula C10H21CH=CH2, consisting of a chain of twelve carbon atoms terminating with a double bond. While there are many isomers of dodecene depending on which carbon the double bond is placed, this isomer is of greater commercial importance. It is classified as an alpha-olefin. Alpha-olefins are distinguished by having a double bond at the primary or alpha (α) position. This location of a double bond enhances the reactivity of the compound and makes it useful for a number of applications, especially for the production of detergents . 1-Dodecene belongs to the family of Acyclic Alkenes. These are acyclic unsaturated compounds containing at least one carbon-carbon double bond
(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is found in herbs and spices. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is a flavouring ingredient. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is present in peppermint oil and various types of tea. (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is a flavouring ingredient. It is found in peppermint oil and various types of tea, herbs and spices.
(+/-)-Dihydromintlactone
(+/-)-Dihydromintlactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
gamma-Diosphenol
gamma-Diosphenol is a constituent of Agathosma betulina leaf oil (buchu). Constituent of Agathosma betulina leaf oil (buchu)
Nonyl cyclopropane
Nonyl cyclopropane is classified as a member of the cycloalkanes. Cycloalkanes are saturated monocyclic hydrocarbons (with or without side chains). (ChemoSummarizer)
Dihydronepetalactone
Isodihydronepetalactone is found in herbs and spices. Isodihydronepetalactone is a constituent of Nepeta cataria (catnip) Constituent of Nepeta cataria (catnip). Dihydronepetalactone is found in tea and herbs and spices.
(xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone
Constituent of peppermint oil. (xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone is found in herbs and spices. (xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone is a flavour and fragrance agent [CCD].
10-Undecen-2-one
10-Undecen-2-one is a constituent of dwarf mountain pine (Pinus mugo) essential oil. Constituent of dwarf mountain pine (Pinus mugo) essential oil.
trans-4,5-epoxy-2(E)-decenal
Polyunsaturated fatty acids such as arachidonate and linoeate, while essential to health maintenance, are subject to random peroxidation by ambient oxygen, resulting in fragmented and reactive decomposition products. One prominent autoxidation product of either trilinolein or arachidonic acid is trans-4,5-epoxy-2(E)-decenal. This aldehyde is responsible for a pungent metallic flavor of decomposed lipids, with a detection threshold of 1.5 pg/l in air.1 trans-4,5-epoxy-2(E)-Decenal also reacts with nucleophiles (lysine amino groups) on proteins, leading to loss of cell function and viability.2 This reactive aldehyde is therefore a useful tool in elucidating the effects of peroxidative damage in experimental models. Lipid peroxidation production Contributor to warmed-over flavour development in cooked meats and off-flavour in stored soybean oiland is) also present in breadcrumb, hop cone and roasted sesame seed odours and pastry products prepared from margarine. 4,5-Epoxy-2-decenal is found in cereals and cereal products.
10-Undecenal
10-Undecenal is found in herbs and spices. 10-Undecenal is found in coriander leaf (Coriandrum sativum). Perfumery and flavouring ingredien Found in coriander leaf (Coriandrum sativum). Perfumery and flavouring ingredient
Methyl octynecarboxylate
Methyl octynecarboxylate is a flavouring ingredien Flavouring ingredient
(+/-)-N,N-Dimethyl menthyl succinamide
(+/-)-N,N-Dimethyl menthyl succinamide 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 .
(+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol
(+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol 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 .
2,4-Hexadienyl butyrate
2,4-Hexadienyl butyrate 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 .
2,4-Hexadienyl isobutyrate
2,4-Hexadienyl isobutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
cis-3-Hexenyl crotonate
cis-3-Hexenyl crotonate 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 .
Epoxycampholenic aldehyde
Epoxycampholenic aldehyde is found in fruits. Epoxycampholenic aldehyde is a constituent of Juniperus communis (juniper) Constituent of Juniperus communis (juniper). Epoxycampholenic aldehyde is found in fruits.
4-Isopropyl-3-cyclohexene-1-carboxylic acid
xi-4-Isopropyl-3-cyclohexene-1-carboxylic acid is found in herbs and spices. xi-4-Isopropyl-3-cyclohexene-1-carboxylic acid is a flavouring ingredient. xi-4-Isopropyl-3-cyclohexene-1-carboxylic acid is present in cumin oil. It is used as a food additive
9-Undecenal
9-Undecenal is present in juniper leaf oil. 9-Undecenal is a flavouring ingredient. Present in juniper leaf oil. Flavouring ingredient
(E)-2-Dodecene
(E)-2-Dodecene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(Z)-3-Dodecene
(Z)-3-Dodecene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(E)-3-Dodecene
(E)-3-Dodecene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
4,6,8-trimethyl-1-nonene
4,6,8-trimethyl-1-nonene is classified as a member of the Unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds
2,2,4,6,6-Pentamethyl-3-heptene
2,2,4,6,6-Pentamethyl-3-heptene (CAS: 123-48-8) is classified as a member of the branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contain one or more unsaturated carbon atoms, and an aliphatic branch. 2,2,4,6,6-Pentamethyl-3-heptene can be found in feces.
3-Methyl-2-undecene (Z)
3-methyl-2-undecene (z) is classified as a member of the branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 3-methyl-2-undecene (z) can be found in feces.
6-exo-Hydroxyfenchone
6-exo-Hydroxyfenchone belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 6-exo-Hydroxyfenchone was found to be an oxidation product of both (+)-fenchone and (-)-fenchone by two human liver microsomal P450 enzymes: CYP2A6 and CYP2B6 (PMID: 17142962, 17484521).
6-endo-Hydroxyfenchone
6-endo-Hydroxyfenchone belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 6-endo-Hydroxyfenchone was found to be an oxidation product of both (+)-fenchone and (-)-fenchone by two human liver microsomal P450 enzymes: CYP2A6 and CYP2B6 (PMID: 17142962, 17484521).
Sebacil
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
(+)-Bottrospicatol
[(1S,5S,7R)-3,7-dimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl]methanol is a member of the class of compounds known as tetrahydrofurans. Tetrahydrofurans are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. [(1S,5S,7R)-3,7-dimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl]methanol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa).
Cyclododecane
Cyclododecane is a member of the class of compounds known as cycloalkanes. Cycloalkanes are saturated monocyclic hydrocarbons (with or without side chains). Cyclododecane can be found in roman camomile, which makes cyclododecane a potential biomarker for the consumption of this food product. Cyclododecane is an organic compound with the chemical formula (CH2)12. It is a waxy white solid that is soluble in nonpolar organic solvents .
Neric acid
Cis-geranic acid, also known as cis-geranate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, cis-geranic acid is considered to be a fatty acid lipid molecule. Cis-geranic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cis-geranic acid can be found in ginger, which makes cis-geranic acid a potential biomarker for the consumption of this food product.
Piperitone oxide
Piperitone oxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Piperitone oxide is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Piperitone oxide can be found in cornmint, orange mint, peppermint, and spearmint, which makes piperitone oxide a potential biomarker for the consumption of these food products.
(±)-Limonene diepoxide
(±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product.
p-mentha-1,8-dien-4-yl-hydroperoxide
Flavouring compound [Flavornet]
(E)-p-mentha-1(7),8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(E)-p-mentha-6,8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(Z)-p-mentha-1,8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one
(1alpha,4beta,5alpha)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
(4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one
(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
4-Hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
(1s,5r,7r,s)-(4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-en-7-yl)methanol
(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
(4S-cis)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one
1,10-oxy-alpha-myrcene hydroxide|1,10-Oxy-??-myrcene hydroxide
Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propene-1-one
(Z)-5-Undecen-2-one|5-Undecen-2-one|undec-5c-en-2-one
2-Hydroxy-3-n-pentyl-cyclopent-2-en-1-on|2-hydroxy-3-pentyl-2-cyclopenten-1-one|2-hydroxy-3-pentyl-2-cyclopentenone
(Z)-O-beta-D-Glucopyranoside-8-Hydroxy-2,6-dimethyl-2,5-octadien-4-one
3-Butenoic acid, 3-methyl-, (3-methyl-3-butenyl) ester
5-Methyl-7-isopropyl-2,3-dioxabicyclo[2.2.2]octa-5-ene
(+)-(2E,4E)-4,6-dimethylocta-2,4-dienoic acid|(+)-(2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid|(S)-4,6-dimethyl-octa-2t,4t-dienoic acid|(S)-4,6-Dimethyl-octa-2t,4t-diensaeure
(1R,4R)-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-en-4-ol
(-)-dec-6t-en-4-yne-1,8-diol|Deca-4t-en-6-in-3,10-diol
1,10-oxy-beta-myrcene hydroxide|1,10-Oxy-??-myrcene hydroxide
3,3,7-Trimethyl-4,9-dioxatricyclo(3.3.1.02,7)nonane
(1R,4R,5R)-4,8-dimethyl-2-oxabicyclo[3.3.1]non-7-en-4-ol|(1R,5R,6R)-2,6-dimethyl-8-oxabicyclo[3.3.1]non-2-en-6-ol|2,9-epoxy-p-menth-6-en-8-ol|haplopappol
methyl non-8-ynoate|methyl-8-nonynoate|Non-8-insaeure-methylester|non-8-ynoic acid methyl ester
Chrysanthemic_acid
Chrysanthemic acid is a monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. It has a role as a plant metabolite. It is a member of cyclopropanes and a monocarboxylic acid. It is functionally related to a cyclopropanecarboxylic acid. Chrysanthemic acid is a natural product found in Chrysanthemum indicum with data available. A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
FA 10:2
(2E,4E)-deca-2,4-dienoic acid is a polyunsaturated fatty acid that is decanoic acid (capric acid) which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5. It is a medium-chain fatty acid and a polyunsaturated fatty acid. A polyunsaturated fatty acid that is capric acid which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5.
cis-(+)-chrysanthemic acid
(-)-cis-chrysanthemic acid
dodecene
An alkene that is dodecane containing one double bond at position 1. It is an intermediate used in the production of lubricants and surfactants.
Undecenal
Component of roasted chicken/guinea hen meat and mango aroma. (Z)-2-Undecenal is found in animal foods and fruits. It is used as a food additive
Diosphenol
A cyclic monoterpene ketone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6.
1,2-Campholide
A delta-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively.
ENDO-N,9-DIMETHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINE
(3Z)-3-[(4-chlorophenyl)methylidene]-8-phenyl-4-thia-1,6,7-triazabicyclo[3.3.0]octa-5,7-dien-2-one
1-[1-(cyclopropylmethyl)-4-piperidinyl]methanamine(SALTDATA: FREE)
4,4,5,5-TETRAMETHYL-2-(PROP-1-EN-1-YL)-1,3,2-DIOXABOROLANE
4,6,8-Trimethyl-1-nonene
An alkene that is 1-nonene substituted by methyl groups at positions 4, 6 and 8 respectively. Metabolite observed in cancer metabolism.
POLY(ETHYLENE-CO-1-BUTENE-CO-1-HEXENE), MELT INDEX 3.5
Limonene dioxide
(±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product.
4-Piperidinopiperidine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Methylbicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
Pyrrolidine, 1-[(2R)-2-pyrrolidinylcarbonyl]- (9CI)
1H-Imidazole,1-butyl-4,5-dihydro-2-(1-methylethyl)-(9CI)
2-Methyl-2-(4-methyl-3-pentenyl)-cyclopropanemethanol
1-(cyclopropylcarbonyl)-3-piperidinamine(SALTDATA: HCl)
Bicyclo[2.2.1]heptane,2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel-
Cyclohexene,4-(1-methoxy-1-methylethyl)-1-methyl-
1H-Imidazole,1-butyl-2,5-dihydro-2-(1-methylethyl)-(9CI)
trans-2-Undecen-1-al
2-undecenal, also known as (E)-undec-2-enal or fema 3423, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, 2-undecenal is considered to be a fatty aldehyde lipid molecule. 2-undecenal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-undecenal can be found in fruits, which makes 2-undecenal a potential biomarker for the consumption of this food product.
alpha-Allenylagmatine
A member of the class of guanidines that is agmatine in which one of the methylene hydrogens adjacent to the primary amino group has been replaced by an allenyl group.
(E)-2-Dodecene
A 2-dodecene that is dodecane which has been dehydrogenated to introduce a trans double bond between positions 2 and 3.
(Z)-2-dodecene
A 2-dodecene that is dodecane which has been dehydrogenated to introduce a cis double bond between positions 2 and 3.
(1s,2s,4s)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
(2r,3s,6s)-6-isopropyl-2,3-dimethylcyclohexan-1-one
1-methyl-3-propylcyclooctane
{"Ingredient_id": "HBIN002774","Ingredient_name": "1-methyl-3-propylcyclooctane","Alias": "NA","Ingredient_formula": "C12H24","Ingredient_Smile": "CCCC1CCCCCC(C1)C","Ingredient_weight": "168.32 g/mol","OB_score": "34.81047905","CAS_id": "NA","SymMap_id": "SMIT10630","TCMID_id": "NA","TCMSP_id": "MOL009508","TCM_ID_id": "NA","PubChem_id": "550139","DrugBank_id": "NA"}
2,4,6-trimethyl-1-nonene
{"Ingredient_id": "HBIN004252","Ingredient_name": "2,4,6-trimethyl-1-nonene","Alias": "NA","Ingredient_formula": "C12H24","Ingredient_Smile": "CCCC(C)CC(C)CC(=C)C","Ingredient_weight": "168.32 g/mol","OB_score": "30.42285727","CAS_id": "NA","SymMap_id": "SMIT09520","TCMID_id": "NA","TCMSP_id": "MOL008201","TCM_ID_id": "NA","PubChem_id": "536118","DrugBank_id": "NA"}
2,4-Undecadien-1-ol
{"Ingredient_id": "HBIN004552","Ingredient_name": "2,4-Undecadien-1-ol","Alias": "NA","Ingredient_formula": "C11H20O","Ingredient_Smile": "CCCCCCC=CC=CCO","Ingredient_weight": "168.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42748","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5362760","DrugBank_id": "NA"}
2-isopropyl-2,5-dimethyl-cyclohexanone
{"Ingredient_id": "HBIN005851","Ingredient_name": "2-isopropyl-2,5-dimethyl-cyclohexanone","Alias": "NA","Ingredient_formula": "C11H20O","Ingredient_Smile": "CC1CCC(C(=O)C1)(C)C(C)C","Ingredient_weight": "168.28","OB_score": "64.58177839","CAS_id": "20144-44-9","SymMap_id": "SMIT12434","TCMID_id": "NA","TCMSP_id": "MOL011554","TCM_ID_id": "NA","PubChem_id": "543517","DrugBank_id": "NA"}
4-Dodecene
{"Ingredient_id": "HBIN010331","Ingredient_name": "4-Dodecene","Alias": "4-Dodecene, (E)-; (4E)-4-Dodecene; (E)-dodec-4-ene","Ingredient_formula": "C12H24","Ingredient_Smile": "CCCCCCCC=CCCC","Ingredient_weight": "168.32","OB_score": "14.90390247","CAS_id": "7206-27-1","SymMap_id": "SMIT10797","TCMID_id": "NA","TCMSP_id": "MOL009707","TCM_ID_id": "NA","PubChem_id": "5364443","DrugBank_id": "NA"}
5-methyl-1-undecene
{"Ingredient_id": "HBIN011782","Ingredient_name": "5-methyl-1-undecene","Alias": "NA","Ingredient_formula": "C12H24","Ingredient_Smile": "CCCCCCC(C)CCC=C","Ingredient_weight": "168.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34662","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "522550","DrugBank_id": "NA"}