Exact Mass: 168.106271
Exact Mass Matches: 168.106271
Found 500 metabolites which its exact mass value is equals to given mass value 168.106271,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
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.
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.
(-)-(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)
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].
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.
Methyl octynecarboxylate
Methyl octynecarboxylate is a flavouring ingredien Flavouring ingredient
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
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).
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
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
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.
1,2-diamino-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
(3Z)-3-[(4-chlorophenyl)methylidene]-8-phenyl-4-thia-1,6,7-triazabicyclo[3.3.0]octa-5,7-dien-2-one
1-[Isopropyl(dimethyl)silyl]-1H-imidazole
C8H16N2Si (168.10826960000003)
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.
1-Methylbicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
4-AMINO-5-ETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID AMIDE
4-Methoxy-a,a-dimethyl-1,4-cyclohexadiene-1-methanol
3,4-DIMETHYL-CYCLOHEX-3-ENECARBOXYLIC ACID METHYL ESTER
1H-Imidazole-4-carboxylicacid,2-(1-methylethyl)-,hydrazide(9CI)
(-)-trans-Chrysanthemic acid
5-Isopropyl-2-methyl-1-cyclopentenylcarboxylic acid
1,1-[(1R,2R)-1-Methyl-1,2-cyclopropanediyl]di(1-propanone)
1-ethyl-3-methyl-1H-pyrazole-4-carbohydrazide(SALTDATA: FREE)
(+)-iridodial lactol
An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted by methyl groups at positions 4 and 7 and a hydroxy group at position 1 (the 1R,4aS,7S,7aR-stereoisomer).
Cicrotoic Acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
1H-Pyrazole, 3,5-dimethyl-1-(trimethylsilyl)-
C8H16N2Si (168.10826960000003)
3-Methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
2-(3-Hydroxy-4-methoxyphenyl)ethanaminium
C9H14NO2+ (168.10244840000001)
(1R,2S,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
1-(3,4-Dihydroxyphenyl)propan-2-ylazanium
C9H14NO2+ (168.10244840000001)
[(1R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
C9H14NO2+ (168.10244840000001)
2-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol
Paeonilactinone
A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent.
2(3H)-Benzofuranone, hexahydro-3a,7a-dimethyl-, cis-
(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid
A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula.
(-)-2,6,6-Trimethyl-2(R)-vinyltetrahydropyran-5-one
ASCARIDOLE
A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(+)-trans-Chrysanthemic acid
A trans-chrysanthemic acid in which both stereocentres have R configuration.
(4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
(1S)-6-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Geranate
A polyunsaturated fatty acid that is octa-2,6-dienoic acid bearing two methyl substituents at positions 3 and 7 (the 2E-isomer).
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
3-methoxytyraminium
A primary ammonium ion that is the conjugate acid of 3-methoxytyramine resulting from the protonation of the primary amino group; Major microspecies at pH 7.3.
2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-
(1S,4R,6S)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
(1S,4R,6R)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
jasmolactone
A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes.
(E)-jasmolactone
A jasmolactone in which the double bond adopts a trans-configuration.
(Z)-jasmolactone
A jasmolactone in which the double bond adopts a cis-configuration.
cis-cis-nepetalactol
A cyclopentapyran that is (4aR,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by methyl groups (the 4aR,7S,7aS)-diastereomer.
4-methoxytyraminium
A primary ammonium ion that is the conjugate acid of 4-methoxytyramine resulting from the protonation of the primary amino group; major microspecies at pH 7.3.
D-synephrine(1+)
An organic cation that is the conjugate acid of D-synephrine, arising from protonation of the secondary amino group; major species at pH 7.3.
(3r,4r)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
1-[(2s)-3,3-dimethyloxiran-2-yl]-2,2-dimethylbut-3-en-1-one
(6r)-2-hydroxy-6-isopropyl-3-methylcyclohex-2-en-1-one
(1s,4r,7r)-7-isopropyl-5-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
(5s)-5-hydroxy-3,7,7-trimethylcyclohept-2-en-1-one
(1s,3r,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3-peroxol
(5r)-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one
4-isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.0²,⁴]octane
2-(hydroxymethyl)-7,7-dimethylbicyclo[3.1.1]hept-2-en-6-ol
(1r,4z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
(5s)-5-methyl-3-[(2s)-2-methylbutyl]-5h-furan-2-one
(3s,4s)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
2-[(1r,6s)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
(4s,5r)-4-methyl-5-(3-methylbut-2-en-1-yl)oxolan-2-one
(1r,4s,7s)-7-isopropyl-5-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane-2,6-diol
3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
(1r,3r,6s)-3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
1,10-oxy-α-myrcenehydroxide
{"Ingredient_id": "HBIN000246","Ingredient_name": "1,10-oxy-\u03b1-myrcenehydroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C(CCC1=CCOC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16441","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,10-oxy-β-myrcenehydroxide
{"Ingredient_id": "HBIN000247","Ingredient_name": "1,10-oxy-\u03b2-myrcenehydroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(C)(C=CCC1=CCOC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16442","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1r,4s)-p-mentha-2,8-dien-1-hydroperoxide
{"Ingredient_id": "HBIN003148","Ingredient_name": "(?)-(1r,4s)-p-mentha-2,8-dien-1-hydroperoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(C=C1)(C)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide
{"Ingredient_id": "HBIN003299","Ingredient_name": "(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(C=C1)(C)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13713","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(2r,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide
{"Ingredient_id": "HBIN006515","Ingredient_name": "(?)-(2r,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(=C)C(C1)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(2s,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide
{"Ingredient_id": "HBIN006750","Ingredient_name": "(?)-(2s,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(=C)C(C1)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde
{"Ingredient_id": "HBIN008629","Ingredient_name": "3-hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1=C(CCCC1)C(CO)C=O","Ingredient_weight": "168.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40252","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "572960","DrugBank_id": "NA"}
(4S,6R)一6一Hydroxy-PIPeritone
{"Ingredient_id": "HBIN010902","Ingredient_name": "(4S,6R)\u4e006\u4e00Hydroxy-PIPeritone","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1=CC(=O)C(CC1O)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymatatabiether
{"Ingredient_id": "HBIN011696","Ingredient_name": "5-hydroxymatatabiether","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1COC2(C(CC1C2=C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene
{"Ingredient_id": "HBIN012211","Ingredient_name": "6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene","Alias": "6\u03b1-methyl-2,6\u03b2-dihydroxymethylbicyclo-[3.1.1]-hept-2-ene","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1(C2CC=C(C1C2)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31591;14303","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-limonene diepoxide
{"Ingredient_id": "HBIN015581","Ingredient_name": "\u03b1-limonene diepoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC12CCC(CC1O2)C3(CO3)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36854","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}