Exact Mass: 170.1181
Exact Mass Matches: 170.1181
Found 500 metabolites which its exact mass value is equals to given mass value 170.1181,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Exo-hydroxy-1,8-cineole
2-exo-hydroxy-1,8-cineole is part of the Steroid hormone biosynthesis, Linoleic acid metabolism, Retinol metabolism, and Bile secretion pathways. It is a substrate for: Cytochrome P450 3A4.
2,6-Dimethylocta-3,7-diene-1,6-diol
2,6-dimethylocta-3,7-diene-1,6-diol, also known as (6e)-8-hydroxylinalool, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, 2,6-dimethylocta-3,7-diene-1,6-diol is considered to be a fatty alcohol lipid molecule. 2,6-dimethylocta-3,7-diene-1,6-diol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,6-dimethylocta-3,7-diene-1,6-diol can be found in ginger, which makes 2,6-dimethylocta-3,7-diene-1,6-diol a potential biomarker for the consumption of this food product.
Citronellic acid
Flavouring ingredient. Citronellic acid is found in many foods, some of which are peppermint, lemon balm, lemon grass, and cardamom. Citronellic acid is found in cardamom. Citronellic acid is a flavouring ingredien
(6E)-8-hydroxygeraniol
(6e)-8-hydroxygeraniol, also known as trans,trans-2,6-dimethyl-2,6-octadiene-1,8-diol, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle (6e)-8-hydroxygeraniol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (6e)-8-hydroxygeraniol can be found in a number of food items such as spelt, barley, italian sweet red pepper, and european plum, which makes (6e)-8-hydroxygeraniol a potential biomarker for the consumption of these food products.
Menthone lactone
8-Methylnonenoate
8-methyl-nonenoic acid is a fatty acid derivative from leucine/valine pathway.8-methyl-nonenoic acid plays a crucial role in determining the efficacy of capsaicin levels.It was evident that significantly high capsaicin was produced when 8-methyl-nonenoic acid was supplied individually and in combination with vanillylamine. This suggests that 8-methyl-nonenoic acid is very close in pathway, leading to capsaicin biosynthesis, and although vanillylamine is present in abundance, the quantity of 8-methyl-nonenoic acid determines the pungency in placental tissues of Capsicum. [HMDB]. 8-Methylnonenoate is found in many foods, some of which are peanut, groundcherry, chinese cinnamon, and mamey sapote. 8-methyl-nonenoic acid is a fatty acid derivative from leucine/valine pathway.8-methyl-nonenoic acid plays a crucial role in determining the efficacy of capsaicin levels.It was evident that significantly high capsaicin was produced when 8-methyl-nonenoic acid was supplied individually and in combination with vanillylamine. This suggests that 8-methyl-nonenoic acid is very close in pathway, leading to capsaicin biosynthesis, and although vanillylamine is present in abundance, the quantity of 8-methyl-nonenoic acid determines the pungency in placental tissues of Capsicum.
Menthone lactone
Menthone lactone is a flavouring ingredient with maple syrup-brown sugar odour. It is isolated from Mentha piperita (peppermint) rhizomes. Flavouring ingredient with maple syrup-brown sugar odour. Isolated from Mentha piperita (peppermint) rhizomes
2-Hydroxycineol
2-Hydroxycineol belongs to the family of Oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-
P-mentha-8(9)-en-1,2-diol, also known as 1-methyl-4-(1-methylethenyl)-1,2-cyclohexanediol, 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. P-mentha-8(9)-en-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). P-mentha-8(9)-en-1,2-diol can be found in wild celery, which makes P-mentha-8(9)-en-1,2-diol a potential biomarker for the consumption of this food product.
Linalyl oxide
Linalyl oxide is found in citrus. Linalyl oxide is isolated from Citrus paradisi (grapefruit), Thea sinensis (tea) and many other sources. Linalyl oxide is a flavouring ingredient.This is the furanoid form of linalool oxide; there are 4 possible stereo-isomers Linalyl oxide is a member of oxolanes. Linalyl oxide is a natural product found in Pulicaria arabica, Carica papaya, and Camellia sinensis with data available. Isolated from Citrus paradisi (grapefruit), Thea sinensis (tea) and many other sources. Flavouring ingredient Linalool oxide is a secondary metabolite in elongating wheat plants with antinociceptive and anticonvulsant effects. Linalool oxide shows anxiolytic activity[1][2][3]. Linalool oxide is a secondary metabolite in elongating wheat plants with antinociceptive and anticonvulsant effects. Linalool oxide shows anxiolytic activity[1][2][3].
delta-Decalactone
delta-Decalactone, also known as 5-decanolide or δ-amylvalerolactone, belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Thus, delta-decalactone is considered to be a fatty ester lipid molecule. delta-Decalactone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. delta-Decalactone is a sweet, apricot, and butter tasting compound. delta-Decalactone has been detected, but not quantified, in several different foods, such as coconuts, evergreen blackberries, bilberries, milk and milk products, and fats and oils. This could make delta-decalactone a potential biomarker for the consumption of these foods. A delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. 6-pentyloxan-2-one is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It is functionally related to a 5-valerolactone. delta-Decalactone is a natural product found in Curio articulatus, Mangifera indica, and Fusarium poae with data available. 1,5-Decanolide is a metabolite found in or produced by Saccharomyces cerevisiae. Present in coconut oil, butter oil, apricots, peaches, cheese, cane sugar, pork fat, margarine, lavender oil, and other substances. Fragrance raw material and flavouring agent. 5-Pentyl-delta-valerolactone is found in many foods, some of which are bilberry, fruits, animal foods, and milk and milk products. A delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2]. δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2].
trans-Dec-2-enoic acid
trans-Dec-2-enoic acid, also known as 10:1, N-8 trans or (2E)-decenoic acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. trans-Dec-2-enoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Occurs in pear, capsicum, mutton, pork and black tea. Flavourant for beverages, baked goods, etc.
xi-5-Hexyldihydro-2(3H)-furanone
xi-5-Hexyldihydro-2(3H)-furanone, also known as 4-hexyl-4-butanolide or gamma-lactone decanoic acid, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a carboxy group on the carbon adjacent to the oxygen atom. xi-5-Hexyldihydro-2(3H)-furanone has been detected, but not quantified, in fruits. This could make XI-5-hexyldihydro-2(3H)-furanone a potential biomarker for the consumption of these foods. Component of apricot, plum and strawberry aromas. xi-5-Hexyldihydro-2(3H)-furanone is found in fruits.
9-Hydroxygeraniol
9-Hydroxygeraniol is found in herbs and spices. 9-Hydroxygeraniol is a constituent of tarragon (Artemisia dracunculus). Constituent of tarragon (Artemisia dracunculus). 9-Hydroxygeraniol is found in herbs and spices.
2-Hexenyl butanoate
2-Hexenyl butanoate is found in highbush blueberry. 2-Hexenyl butanoate is a flavouring agent Flavouring agent. 2-Hexenyl butanoate is found in highbush blueberry.
Lilac alcohol
Lilac alcohol is found in herbs and spices. Lilac alcohol is a constituent of dried woodruff and coriander oil aroma. May also be present in honeys from certain flowers Constituent of dried woodruff and coriander oil aroma. May also be present in honeys from certain flowers. Lilac alcohol is found in herbs and spices.
Ethyl 4Z-octenoate
Ethyl 4Z-octenoate is found in fruits. Ethyl 4Z-octenoate is a constituent of pineapple and other fruit aromas. Ethyl 4Z-octenoate is a flavouring ingredient. Constituent of pineapple and other fruit aromas. Flavouring ingredient. Ethyl 4Z-octenoate is found in fruits.
2-Octenyl acetate
2-Octenyl acetate is found in fruits. 2-Octenyl acetate is present in banana. 2-Octenyl acetate is a flavouring agent Present in banana. Flavouring agent. 2-Octenyl acetate is found in fruits.
9-Decenoic acid
Minor constituent of milk fatsand is also detected in beer, wine, clams, Parmesan cheese and snails. Flavouring agent. 9-Decenoic acid is found in alcoholic beverages, milk and milk products, and mollusks. 9-Decenoic acid is found in alcoholic beverages. 9-Decenoic acid is a minor constituent of milk fats. Also detected in beer, wine, clams, Parmesan cheese and snails. 9-Decenoic acid is a flavouring agent
4-Hydroxy-2,6-dimethyl-7-octen-3-one
4-Hydroxy-2,6-dimethyl-7-octen-3-one is found in herbs and spices. 4-Hydroxy-2,6-dimethyl-7-octen-3-one is a constituent of Tagetes minuta (Mexican marigold)
trans-p-Menth-2-ene-1,4-diol
trans-p-Menth-2-ene-1,4-diol is found in herbs and spices. trans-p-Menth-2-ene-1,4-diol is isolated from peppermint oil and Chenopodium ambroisioides. Isolated from peppermint oil and Chenopodium ambroisioides. trans-p-Menth-2-ene-1,4-diol is found in herbs and spices.
1-Cyclopropyl-4-methyl-1,3-cyclohexanediol
9,10-cyclo-2,4-menthanediol, also known as 1-cyclopropyl-4-methyl-1,3-cyclohexanediol, 9ci, is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. 9,10-cyclo-2,4-menthanediol is soluble (in water) and a very weakly acidic compound (based on its pKa). 9,10-cyclo-2,4-menthanediol can be found in pistachio, which makes 9,10-cyclo-2,4-menthanediol a potential biomarker for the consumption of this food product. 1-Cyclopropyl-4-methyl-1,3-cyclohexanediol is found in nuts. 1-Cyclopropyl-4-methyl-1,3-cyclohexanediol is a constituent of pistachio (Pistacia vera).
cis-3-Hexenyl butyrate
Constituent of aroma from Ceylon teaand is also present in orange peel oil, lovage root and many fruits, e.g. feijoa fruit, nectarine, strawberry, guava, Chinese quince. Flavouring ingredient. cis-3-Hexenyl butyrate is found in many foods, some of which are tea, safflower, fruits, and citrus. cis-3-Hexenyl butyrate is found in citrus. cis-3-Hexenyl butyrate is a constituent of aroma from Ceylon tea. Also present in orange peel oil, lovage root and many fruits, e.g. feijoa fruit, nectarine, strawberry, guava, Chinese quince. cis-3-Hexenyl butyrate is a flavouring ingredient.
3-Decenoic acid
3-Decenoic acid is found in animal foods. 3-Decenoic acid occurs in pork and squid oil. Comly. available flavour ingredien Occurs in pork and squid oil. Comly. available flavour ingredient. 3-Decenoic acid is found in animal foods.
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol is found in herbs and spices. (E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol is a constituent of peppermint oil Constituent of peppermint oil. (E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol is found in herbs and spices.
p-Menth-1-ene-8-thiol
p-Menth-1-ene-8-thiol is found in citrus. p-Menth-1-ene-8-thiol is a powerful flavour constituent of grapefruit juice detectable at 10 4 ppb (equiv. to 10 4 mg per ton of water Powerful flavour constituent of grapefruit juice detectable at 10?4 ppb (equiv. to 10?4 mg per ton of water). p-Menth-1-ene-8-thiol is found in citrus.
1,6,7-Trimethylnaphthalene
1,6,7-trimethylnaphthalene (CAS: 2245-38-7) with formula C10H5(CH3)3 is a solid and is insoluble in water. The molecular weight of 1,6,7-trimethylnaphthalene is 170.25. The melting point of 1,6,7-trimethylnaphthalene is 28C and the boiling point is 285C.
(+/-)-2,8-Epithio-cis-p-menthane
(+/-)-2,8-Epithio-cis-p-menthane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,3 or 10-Mercaptopinane
2,3 or 10-Mercaptopinane 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 .
Thiogeraniol
Thiogeraniol is a flavouring and perfumery ingredien Flavouring and perfumery ingredient
p-Menth-3-ene-3-thiol
p-Menth-3-ene-3-thiol is a flavouring ingredient. Flavouring ingredient
1,4,5-Trimethyl-naphtalene
1,4,5-Trimethyl-naphtalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester
1,3,3-Trimethyl-2-(hydroxymethyl)-5-hydroxy-1-cyclohexene
(-)-(1R*,2S*,4R*,5S*)-3,3-dimethyl-5-hydroxybicyclo[2.2.1]hept-2-ylmethanol
(E)-5-Hydroxy-5-isopropylhept-3-en-2-one|5-Ethyl-5-hydroxy-6-methyl-3-hepten-2-one
(2E,4S)-2,4-dimethyloct-2-enoic acid|(S,E)-2,4-dimethyloct-2-enoic acid
(E)-2-isopropenyl-5-methylhex-3-ene-1,5-diol|trans-5-hydroxy-2-isopropenyl-5-methylhex-3-en-1-ol
δ-Decalactone
[Raw Data] CB015_delta-Decalactone_pos_20eV_CB000009.txt [Raw Data] CB015_delta-Decalactone_pos_10eV_CB000009.txt δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2]. δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2].
UNII:7HLS05KP9O
Xi-5-hexyldihydro-2(3h)-furanone, also known as 4-decanolide or gamma-decanolactone, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Xi-5-hexyldihydro-2(3h)-furanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-5-hexyldihydro-2(3h)-furanone can be found in fruits, which makes xi-5-hexyldihydro-2(3h)-furanone a potential biomarker for the consumption of this food product. [Raw Data] CB016_gamma-Decalactone_pos_20eV_CB000010.txt [Raw Data] CB016_gamma-Decalactone_pos_10eV_CB000010.txt
epsilon-decalactone
CONFIDENCE standard compound; INTERNAL_ID 717; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9205; ORIGINAL_PRECURSOR_SCAN_NO 9201 CONFIDENCE standard compound; INTERNAL_ID 717; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9232; ORIGINAL_PRECURSOR_SCAN_NO 9227 CONFIDENCE standard compound; INTERNAL_ID 717; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9267; ORIGINAL_PRECURSOR_SCAN_NO 9264 CONFIDENCE standard compound; INTERNAL_ID 717; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9298; ORIGINAL_PRECURSOR_SCAN_NO 9295 CONFIDENCE standard compound; INTERNAL_ID 717; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9272; ORIGINAL_PRECURSOR_SCAN_NO 9267
(2Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol
Linalyl oxide
Linalool oxide is a secondary metabolite in elongating wheat plants with antinociceptive and anticonvulsant effects. Linalool oxide shows anxiolytic activity[1][2][3]. Linalool oxide is a secondary metabolite in elongating wheat plants with antinociceptive and anticonvulsant effects. Linalool oxide shows anxiolytic activity[1][2][3].
1-Cyclopropyl-4-methyl-1,3-cyclohexanediol
5-Decanolide
δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2]. δ-Decalactone is a lactone compound found in nonfat dry milks and fruit. δ-Decalactone has a sweet taste[1][2].
(4R,7S)-7-isopropyl-4-methyloxepan-2-one
A 7-isopropyl-4-methyloxepan-2-one that has 4R,7S configuration.
(S)-Citronellic acid
A citronellic acid that has (S)-configuration.
1-(2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL)-PROPAN-1-ONE
4,6,8-Trimethylazulene
A member of the class of azulenes that is azulene substituted by methyl groups at positions 4, 6 and 8 respectively.
(1S,4S,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
(R,R)-(-)-2,3-DIMETHOXY-1,4-BIS(DIMETHYLAMINO)BUTANE
1-buten-1-yl methyl sulfide
1-(Methylthio)-1-butene is a flavouring ingredient. It is found in roasted peanuts.
(1R,2S,3R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol
2-Propenoic acid,2-Methyl-,1,1-diMethylbuthyl ester
(1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-diol
2-N-(2,2,3,3-tetradeuteriocyclopropyl)-1,3,5-triazine-2,4,6-triamine
2-Exo-hydroxy-1,8-cineole
A cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration).
trans-Linalool oxide
Linalool 3,6-oxide 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. Linalool 3,6-oxide is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Linalool 3,6-oxide is an alcohol, camphor, and fenchyl tasting compound and can be found in a number of food items such as roselle, fig, citrus, and ginger, which makes linalool 3,6-oxide a potential biomarker for the consumption of these food products. Linalool 3,6-oxide can be found primarily in urine.
trans-4-Decenoic acid
4-Decenoic acid (and other intermediates of unsaturated fatty acid oxidation) has been found in increased amounts in liver, skeletal muscle and heart obtained post mortem from patients with medium-chain acyl-CoA dehydrogenase deficiency (MCADD), multiple acyl-CoA dehydrogenase deficiency (MADD) and very long-chain acyl-CoA dehydrogenase deficiency (VLCADD) (PMID 11486898) [HMDB]
6,7-Epoxylinalool
6,7-epoxylinalool is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 6,7-epoxylinalool is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,7-epoxylinalool can be found in papaya, which makes 6,7-epoxylinalool a potential biomarker for the consumption of this food product.
2-Exo-hydroxy-1,4-cineole
A cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration).
cis-Linalol-oxide
6,7-epoxylinalool is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 6,7-epoxylinalool is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,7-epoxylinalool can be found in papaya, which makes 6,7-epoxylinalool a potential biomarker for the consumption of this food product.
(+)-Angelicoidenol
(+)-angelicoidenol 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 (+)-angelicoidenol is soluble (in water) and a very weakly acidic compound (based on its pKa). (+)-angelicoidenol can be found in ginger, which makes (+)-angelicoidenol a potential biomarker for the consumption of this food product.
(3R)-1-Octen-3-yl acetate
Isolated from Conocephalum japonicum. It is used in perfumery. [CCD].
Octen-1-ol acetate
Octen-1-ol acetate is a member of the class of compounds known as enol esters. Enol esters are ester derivatives of enols. They have the general formula RC=COC(=O)R where R, R = H or organyl group. Octen-1-ol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Octen-1-ol acetate can be found in sweet basil, which makes octen-1-ol acetate a potential biomarker for the consumption of this food product.
2-Endo-hydroxy-1,8-cineole
A cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented endo (R configuration).
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
(5R)-5-isopropenyl-2-methylcyclohexane-1-hydroperoxide
(1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
Linalool oxide pyranoside
A member of the class of oxanes that is oxane substituted by methyl groups at positions 2,2 and 6, by a hydroxy group at position 3 and by an ethenyl group at position 6.
cis-2-Decenoic acid
A 2-decenoic acid having its double bond in the cis configuration.
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
trans-dec-3-enoic acid
A decenoic acid having a trans- double bond at position 3.
trans-2-decenoic acid
A 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis.
(1s,5r)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
(1r,2s,5s)-2-(hydroxymethyl)-5-isopropylbicyclo[3.1.0]hexan-2-ol
(1r,4r,5s)-5-isopropyl-2-methylcyclohex-2-ene-1,4-diol
(1s,5s)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
(1r,2r,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
2-[(2s,5r)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
(1s,2s,4s,7s)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
(2r,5s)-4-hydroxy-2-isopropyl-5-methylcyclohexan-1-one
(1s)-1-(2-hydroxypropan-2-yl)-4-methylcyclohex-3-en-1-ol
(1r,2r,4s,6s)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,6-diol
2-Hydroxycineole
{"Ingredient_id": "HBIN005790","Ingredient_name": "2-Hydroxycineole","Alias": "NA","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC1(C2CCC(O1)(C(C2)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33233","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-ISOPROPYLNAPHTHALENE
{"Ingredient_id": "HBIN005862","Ingredient_name": "2-ISOPROPYLNAPHTHALENE","Alias": "SBB007801; 2027-17-0; 68442-08-0; BRN 1099059; Naphthalene, 2-(1-methylethyl)-; NSC166466; EINECS 217-976-0; NSC 166466; Naphthalene, isopropylated; 2-propan-2-ylnaphthalene; 4-05-00-01723 (Beilstein Handbook Reference); beta-Isopropylnaphthalene; 2-(1-Methylethyl)naphthalene; .beta.-Isopropylnaphthalene; HSDB 5863; Naphthalene, 2-isopropyl-; FR-0361; 2-iso-Propylnaphthalene","Ingredient_formula": "C13H14","Ingredient_Smile": "CC(C)C1=CC2=CC=CC=C2C=C1","Ingredient_weight": "170.25 g/mol","OB_score": "31.8537084","CAS_id": "68442-08-0","SymMap_id": "SMIT09993","TCMID_id": "NA","TCMSP_id": "MOL008768","TCM_ID_id": "NA","PubChem_id": "16238","DrugBank_id": "NA"}
(3r,4r,6s)-3,6-dihydroxy-1-menthene
{"Ingredient_id": "HBIN009528","Ingredient_name": "(3r,4r,6s)-3,6-dihydroxy-1-menthene","Alias": "NA","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC1=CC(C(CC1O)C(C)C)O","Ingredient_weight": "170.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5958","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10374851","DrugBank_id": "NA"}
4-hydroxy-2-isopropenyl-5-methylene-hexan-1-ol
{"Ingredient_id": "HBIN010452","Ingredient_name": "4-hydroxy-2-isopropenyl-5-methylene-hexan-1-ol","Alias": "NA","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC(=C)C(CC(C(=C)C)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10260","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
64911-68-8
{"Ingredient_id": "HBIN012023","Ingredient_name": "64911-68-8","Alias": "(1S,2R,4S,5S)-1,7,7-trimethylnorbornane-2,5-diol; (1S,3S,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,6-diol","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC1(C2CC(C1(CC2O)C)O)C","Ingredient_weight": "170.25","OB_score": "78.59591965","CAS_id": "64911-68-8","SymMap_id": "SMIT11488","TCMID_id": "NA","TCMSP_id": "MOL010437","TCM_ID_id": "NA","PubChem_id": "182459","DrugBank_id": "NA"}
7-hydroxydihydromatatabiether
{"Ingredient_id": "HBIN013278","Ingredient_name": "7-hydroxydihydromatatabiether","Alias": "NA","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC1COC2(CCC1C2CO)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10007","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxygeraniol
{"Ingredient_id": "HBIN013777","Ingredient_name": "8-hydroxygeraniol","Alias": "NA","Ingredient_formula": "C10H18O2","Ingredient_Smile": "CC(=CCO)CCCC(=C)CO","Ingredient_weight": "170.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38322","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6430784","DrugBank_id": "NA"}
