Exact Mass: 226.2045
Exact Mass Matches: 226.2045
Found 461 metabolites which its exact mass value is equals to given mass value 226.2045,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Myristoleate (14:1n5)
Myristoleic acid, also known as 9-tetradecenoate or myristoleate, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Myristoleic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Myristoleic acid exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, myristoleic acid is found in the highest concentration within a few different foods, such as milk (cow), butter, and margarine-like spreads, and in a lower concentration in creams, meat bouillons, and chocolates. Myristoleic acid has also been detected, but not quantified in, several different foods, such as anchovies, loganberries, sunflowers, yellow zucchinis, and dates. This could make myristoleic acid a potential biomarker for the consumption of these foods. Myristoleic acid is a monounsaturated fatty acid that represents approximately 0.3-0.7\\\\% of the total fatty acid composition of adipose tissue triacylglycerol in humans (PMID: 10393134). It has been suggested that its effective cytotoxic (i.e. cell death inducer) activity could be used for the treatment of prostate cancer (PMID: 11304730). Myristoleic acid is a tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. It has a role as an apoptosis inducer, a plant metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a tetradecenoic acid and a long-chain fatty acid. It is a conjugate acid of a myristoleate. Myristoleic acid is a natural product found in Gladiolus italicus, Erucaria microcarpa, and other organisms with data available. Myristoleic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. Occurs in natural fats, e.g. Cottonseed oil KEIO_ID M044 Myristoleic acid, a cytotoxic component in the extract from Serenoa repens, induces apoptosis and necrosis in human prostatic LNCaP cells[1]. Myristoleic acid, a cytotoxic component in the extract from Serenoa repens, induces apoptosis and necrosis in human prostatic LNCaP cells[1].
Pentadecanal
Isolated from essential oil of Cinnamomum micranthum and from lemon oil (Citrus limon). Pentadecanal is found in many foods, some of which are lemon, herbs and spices, citrus, and coriander. Pentadecanal is found in citrus. Pentadecanal is isolated from essential oil of Cinnamomum micranthum and from lemon oil (Citrus limon
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a flavouring ingredient.Methyl dihydrojasmonate is an ester and a diffusive aroma compound, with the smell vaguely similar to jasmin. In racemic mixtures the odour is floral and citrus while epimerized mixtures exhibit a dense fatty floral odour with odor recognition thresholds of 15 part per billion Flavouring ingredient [DFC] Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
trans-Tetra-dec-2-enoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. trans-tetra-dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-tetra-dec-2-enoic acid converted from (R)-3-Hydroxy-tetradecanoic 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-tetra-dec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-tetra-dec-2-enoic acid converted from (R)-3-Hydroxy-tetradecanoic 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).
4,5-Dihydrovomifoliol
4,5-Dihydrovomifoliol is found in alcoholic beverages. 4,5-Dihydrovomifoliol is a constituent of Vitis vinifera grapes and Riesling wine. Constituent of Vitis vinifera grapes and Riesling wine. 4,5-Dihydrovomifoliol is found in alcoholic beverages and fruits.
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne
(8Z,15Z)-1,8,15-Heptadecatriene-11,13-diyne is found in coffee and coffee products. (8Z,15Z)-1,8,15-Heptadecatriene-11,13-diyne occurs in Silybum marianum (milk thistle
5-Tetradecenoic acid
5-Tetradecenoic acid (CAS: 544-66-1), also known as physeterate or physeteric acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 5-tetradecenoic acid is considered to be a fatty acid lipid molecule. 5-Tetradecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-Tetradecenoic acid can be found primarily in blood. Within the cell, 5-tetradecenoic acid is primarily located in the cytoplasm and in the membrane. It can also be found in the extracellular space. 5-Tetradecenoic acid is an intermediate of unsaturated fatty acid metabolism found in the plasma of patients with very long chain acyl-CoA dehydrogenase (VLCAD) deficiency, a genetic disorder (PMID: 7586519).
2-Pentadecanone
2-Pentadecanone is found in cereals and cereal products. 2-Pentadecanone is isolated from hop (Humulus lupulus), coconut (Cocos nucifera) and other oils. Also found in American cranberry, feijoa fruit, quince, asparagus, ginger, wheat bread, soybean, cooked rice and cheeses. 2-Pentadecanone is a flavouring ingredien Isolated from hop (Humulus lupulus), coconut (Cocos nucifera) and other oilsand is also found in American cranberry, feijoa fruit, quince, asparagus, ginger, wheat bread, soybean, cooked rice and cheeses. Flavouring ingredient.
(R)-14-Methyloxacyclotetradecan-2-one
(R)-14-Methyloxacyclotetradecan-2-one is found in herbs and spices. (R)-14-Methyloxacyclotetradecan-2-one is a constituent of Ferula galbaniflua (galbanum)
7Z-tetradecenoic acid
7Z-tetradecenoic acid is also known as (7Z)-Tetradec-7-enate or (cis-Delta(7))-Tetradecenoic acid. 7Z-tetradecenoic acid is considered to be practically insoluble (in water) and acidic. 7Z-tetradecenoic acid is a fatty acid lipid molecule
2-Hexenyl octanoate
2-Hexenyl octanoate 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 .
12-Methyl-13-tridecanolide
12-Methyl-13-tridecanolide is found in fats and oils. 12-Methyl-13-tridecanolide is a constituent of root of Angelica archangelica (angelica)
Ethyl (E)-2-dodecenoate
Ethyl (E)-2-dodecenoate is found in pomes. Ethyl (E)-2-dodecenoate occurs in pear Occurs in pears. Ethyl (E)-2-dodecenoate is found in pomes.
Tsuzuic acid
Tsuzuic acid is a fatty acid. Tsuzuic acid is found in the seeds of some plants from the Lauraceae family, and is occasionally found in human adipose tissue and biofluids. It has been part of a screening analysis to identify fatty acid beta-oxidation disorders. (CAN 136:180078, PMID: 3372640, 11750281, 17805664) [HMDB] Tsuzuic acid is a fatty acid. Tsuzuic acid is found in the seeds of some plants from the Lauraceae family, and is occasionally found in human adipose tissue and biofluids. It has been part of a screening analysis to identify fatty acid beta-oxidation disorders. (CAN 136:180078, PMID: 3372640, 11750281, 17805664).
Heptyl ketone
Heptyl ketone belongs to the family of Ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).
5Z-Tetradecenoic acid
5Z-Tetradecenoic acid is an intermediate of unsaturated fatty acid oxidation that is incorporated in triglycerides, but not in phospholipids. 5Z-Tetradecenoic acid is found in the tissues of patients with mitochondrial beta-oxidation defects, particularly in very long-chain acyl-CoA dehydrogenase deficiency (VLCADD1/VLCADD2), a genetic disorder (PMID: 2051892). 5Z-Tetradecenoic acid is also found to be associated with long-chain 3-hydroxyacyl-CoA dehydrogenase and multiple acyl-CoA dehydrogenase deficiency (MADD), which are also inborn errors of metabolism. 5Z-Tetradecenoic acid is an intermediate of unsaturated fatty acid oxidation that is incorporated in triglycerides but not in phospholipids in tissues from patients with mitochondrial beta-oxidation defects, particularly in very long-chain acyl-CoA dehydrogenase deficiency (VLCADD1/ VLCADD2). (PMID 2051892) [HMDB]
Acetaldehyde di-cis-3-hexenyl acetal
Acetaldehyde di-cis-3-hexenyl acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Houttuynin
Houttuynin is found in herbs and spices. Houttuynin is isolated from Houttuynia cordata (Yu Xing Cao Isolated from Houttuynia cordata (Yu Xing Cao). Houttuynin is found in herbs and spices.
Rhodinyl butyrate
Rhodinyl butyrate is a flavouring ingredient. Flavouring ingredient
Rhodinyl isobutyrate
Rhodinyl isobutyrate is a flavouring ingredient. Flavouring ingredient
Citronellyl butyrate
Constituent of Ceylon citronella oil, tomato, orange juice and passion fruit juice. Flavouring ingredient. Citronellyl butyrate is found in many foods, some of which are garden tomato, citrus, fruits, and herbs and spices. Citronellyl butyrate is found in citrus. Citronellyl butyrate is a constituent of Ceylon citronella oil, tomato, orange juice and passion fruit juice. Citronellyl butyrate is a flavouring ingredient.
Citronellyl isobutyrate
Citronellyl isobutyrate is found in herbs and spices. Citronellyl isobutyrate is a constituent of Ceylon citronella oil. Citronellyl isobutyrate is a flavouring ingredient. Constituent of Ceylon citronella oil. Flavouring ingredient. Citronellyl isobutyrate is found in herbs and spices.
Butyl 2-decenoate
Butyl 2-decenoate is a flavouring agent with a fruity odour and taste. Flavouring agent with a fruity odour and taste
Riesling acetal
Riesling acetal is found in alcoholic beverages. Riesling acetal is a constituent of Riesling wine. Constituent of Riesling wine. Riesling acetal is found in alcoholic beverages.
xi-Tetrahydro-3-nonyl-2H-pyran-2-one
xi-Tetrahydro-3-nonyl-2H-pyran-2-one is found in fruits. xi-Tetrahydro-3-nonyl-2H-pyran-2-one is present in aroma of date palm fruit (Phoenix dactylifera). Present in aroma of date palm fruit (Phoenix dactylifera). xi-Tetrahydro-3-nonyl-2H-pyran-2-one is found in fruits.
delta-Tetradecalactone
delta-Tetradecalactone is found in fats and oils. delta-Tetradecalactone is found in coconut oil, butter, cheese, pork fat, tuberose oil, chicken fat, beef fat, milk and others (poss. in an enantiomeric form). delta-Tetradecalactone is a flavouring ingredient. Found in coconut oil, butter, cheese, pork fat, tuberose oil, chicken fat, beef fat, milk and others (poss. in an enantiomeric form). Flavouring ingredient
1,1-Diethoxy-3,7-dimethyl-2,6-octadiene
1,1-Diethoxy-3,7-dimethyl-2,6-octadiene is a flavouring ingredient. Flavouring ingredient
9E-tetradecenoic acid
9E-tetradecenoic acid, also known as C14:1N-5 or Myristelaidic acid, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 9E-tetradecenoic acid is considered to be practically insoluble (in water) and acidic. 9E-tetradecenoic acid is a fatty acid lipid molecule
Heptyl cyclohexane carboxylic acid
Heptyl cyclohexane carboxylic acid is classified as a member of the fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Heptyl cyclohexane carboxylic acid is considered to be a practically insoluble (in water) and an extremely weak basic compound. Heptyl cyclohexane carboxylic acid can be found in feces.
2-[(Z)-[(4Z)-4-(Diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine
Pentadecanone
Pentadecanone is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Pentadecanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pentadecanone can be found in soft-necked garlic, which makes pentadecanone a potential biomarker for the consumption of this food product.
Tetradecenoic acid
Tetradecenoic acid, also known as 14:1, n-12 or 2-tetradecensaeure, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Tetradecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tetradecenoic acid can be found in black walnut, carrot, and wild carrot, which makes tetradecenoic acid a potential biomarker for the consumption of these food products.
3,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
It is used as a food additive .
Methyl dihydroepijasmonate
Flavouring compound [Flavornet]
FA 14:1
Myristoleic acid, a cytotoxic component in the extract from Serenoa repens, induces apoptosis and necrosis in human prostatic LNCaP cells[1]. Myristoleic acid, a cytotoxic component in the extract from Serenoa repens, induces apoptosis and necrosis in human prostatic LNCaP cells[1].
Crotetamide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3187
(all-E)-2,8,10-Heptodecatriene-4,6-diyne|all-trans-Heptadecatrien-(2.8.10)-diin-(4.6)|heptadeca-2t,8t,10t-triene-4,6-diyne|Heptadecatrien-(2t,8t,10t)-diin-(4,6)
(2R*,4S*,5E)-2-hydroxy-7-isopropyl-4-methyl-5-nonen-4-olide|(2R*,4S*,5E,7xi)-5-(3-Ethyl-4-methyl-1-pentenyl)-4,5-dihydro-3-hydroxy-5-methyl-2(3H)furanone
(2R*)-1-[(1S*,4S*,5S*,8R*)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]oct-4-yl]-2-methylbutan-1-one|colomitide A
(3S,5R,6R)-5,6-dihydro-5-hydroxy-3,6-epoxy-pi-ionol|5,6-Dihydro 5-hydroxy-3,6-epoxy-beta-ionol
4R-hydroxy-4-(9S-hydroxy-12-methylhexan-6-yl)-3-methylcyclopent-2-enone
(2R,3R,4S,5R)-3-hydroxy-2,4-dimethyl-5-[(S,Z)-3-methylpentenyl]-tetrahydro-pyranone
1,5,5-Trimethyl-6-(3,4-dihydroxybutyl)-1-cyclohexene-3-one
(all-E)-1,3,7,9,13-Heptadecapentaen-11-yne|heptadeca-1,3t,7t,9t,13t-pentaen-11-yne|Heptadecapentaen-(1.3trans.7trans.9trans.13trans)-in-(11)
(-)-(5R,6R)-5,6-dihydroxy-5,6-dihydro-beta-ionone|5,6-dihydroxy-5,6-dihydro-beta-jonone|dihydroxy-beta-ionone
3alpha,5beta-dihydroxy-4alpha,11-epoxybisnorcadinane
(2Xi,3S)-3r,5t-diethyl-2-methyl-5c-pent-1-enyl-tetrahydro-furan-2-ol|(3S,5S)-3,5-diethyl-5-hydroxy-dec-6t-en-2-one (Xi)-cyclohemiacetal
Blumenol B
9-Epiblumenol B is a sesquiterpenoid. 9-Epiblumenol B is a natural product found in Phyllanthus polyphyllus and Phyllanthus lawii with data available.
Methyl_dihydrojasmonate
Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate is a lipid. It is functionally related to a jasmonic acid. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
Hedione
Acquisition and generation of the data is financially supported in part by CREST/JST. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one
2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
C13H22O3_2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl
DIHYDROJASMONIC ACID, METHYL ESTER
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
PENTADECANAL
A long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanum erianthum and Cassia siamea.
(R)-3-CYCLOPROPYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
TERT-BUTYL 5-AMINOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
tert-Butyl 3-(cyclopropylamino)pyrrolidine-1-carboxylate
2,7-Diazaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester
tert-butyl 2,5-diazaspiro[3.5]nonane-2-carboxylate
TERT-BUTYL 1,6-DIAZASPIRO[3.5]NONANE-1-CARBOXYLATE
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
8-Amino-5-aza-spiro[2.5]octane-5-carboxylic acid tert-butyl ester
(S,S)-(-)-2,3-DIHYDROXY-N,N,N,N-TETRAMETHYLSUCCINAMIDE
tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE-6(2H)-CARBOXYLATE
tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
2-(CYCLOHEXYLOXY)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-2(3H)-CARBOXYLATE
Tert-Butyl3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
2-[3-(Acetyloxy)-1-methylpropyl]-5-methylcyclohexanone
tert-Butyl 2,6-diazaspiro[4.4]nonane-2-carboxylate
1,6-Diaza-spiro[3.5]nonane-6-carboxylic acid tert-butyl ester
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
2,5-Diazaspiro[3.5]nonane-5-carboxylic acid tert-butyl ester
POLY(M-XYLYLENEDIAMINE-ALT-EPICHLOROHYDRIN), DIAMINE TERMINATED
tert-butyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
6H-Pyrrolo[2,3-c]pyridine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
tert-butyl octahydrocyclopenta[c]pyrrol-4-ylcarbamate
tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
1-(5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-1,2-benzodioxin-3-yl)ethanol
6-[(1E)-3-Hydroxy-1-butenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
2,6,6-Trimethyl-1,2-epoxy-1-(4-hydroxy-2,3-epoxybutan-1-yl)cyclohexane
tert-Butyl (6-aminospiro[3.3]heptan-2-yl)carbamate
tert-butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, ethyl ester
tert-Butyl 8-aza-bicyclo[3.2.1]octan-3-ylcarbamate
(2-CHLOROPHENYL)[3-(METHOXYMETHOXY)PHENYL]METHANONE
(Z)-tetradec-2-enoic acid
An alpha,beta-unsaturated monocarboxylic acid that is tetradecanoic acid (myristic acid) which has undergone formal dehydrogenation to introduce a double bond with Z configuration between positions 2 and 3.
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S-cis)-
Silane, [(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]trimethyl-
[(2-Isopropenyl-5-methyl-4-hexenyl)oxy](trimethyl)silane
Silane, trimethyl[1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethoxy]-, (S)-
Silane, [(2-ethenyl-2,5-dimethyl-4-hexenyl)oxy]trimethyl-
7-Tetradecenoic acid
A tetradecenoic acid having its double bond in the 7-position.
2-[(E)-[(4E)-4-(diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine
Butyl dec-9-enoate
A fatty acid ester obtained by the formal condensation of butan-1-ol with caproleic acid.
[[(2Z)-3,7-Dimethyl-2,6-octadienyl]oxy]trimethylsilane
Isopulegol, [1R-(1alpha,2beta,5alpha)]-, TMS derivative
Silane, [(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methoxy]trimethyl-
Bicyclo[6.1.0]nonane-9-methanol, (1alpha,8alpha,9beta)-, TMS derivative
2-(4-Trimethylsilylmethyl-3-cyclohexenyl)-2-propanol
2,2,5,5-Tetramethyl-3-(trimethylsilylmethyl)cyclopentanone
Methyl (1S,2R,4S,(4A)R,(8A)R)-decahydro-4-hydroxy-2-methylnaphthalen-1-carboxylate
2,4,4-Trimethyl-3-(trimethylsilyloxy)-2,6-heptadiene
trans-2-tetradecenoic acid
A 2-tetradecenoic acid having trans-configuration.
2-tetradecenoic acid
A tetradecenoic acid having its double bond in the 2-position.
4-Hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
11-tetradecenoic acid
A tetradecenoic acid having its double bond in the 11-position.
cis-tetradec-5-enoic acid
A straight-chain, monounsaturated, 14-carbon long-chain fatty acid with a cis-double bond at position C-5
cis-tetradec-7-enoic acid
A tetradecenoic acid having a cis-double bond at the 7-position.
methyl 2-[3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]acetate
(4s,5s)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
(4s)-4-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(2e,7s,8s,11e)-7,8-dihydroxytrideca-2,11-dien-6-one
(1r,3s)-6-[(3r)-3-hydroxybut-1-en-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
(7e,9e,13e,15e)-heptadeca-1,7,9,13,15-pentaen-11-yne
4-hydroxy-3,5-dimethyl-6-(3-methylpent-1-en-1-yl)oxan-2-one
5-ethyl-4-hydroxy-3-methoxy-5-methyl-2-(sec-butyl)cyclopent-2-en-1-one
4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one
(3s,6s)-3,6-bis[(2s)-butan-2-yl]-3,6-dihydropyrazine-2,5-diol
6-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
(4s,6r)-6-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(5r)-3-[(1r)-1-hydroxyoctyl]-5-methyl-5h-furan-2-one
1,8,15-heptadecatriene-11,13-diyne
{"Ingredient_id": "HBIN002074","Ingredient_name": "1,8,15-heptadecatriene-11,13-diyne","Alias": "NA","Ingredient_formula": "C17H22","Ingredient_Smile": "CC=CC#CC#CCC=CCCCCCC=C","Ingredient_weight": "226.36","OB_score": "NA","CAS_id": "6386-16-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9466","PubChem_id": "149752","DrugBank_id": "NA"}
2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin
{"Ingredient_id": "HBIN005709","Ingredient_name": "2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1(C(CCC2(C13CCC(C2)OO3)C)O)C","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40808","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538297","DrugBank_id": "NA"}
(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one
{"Ingredient_id": "HBIN006530","Ingredient_name": "(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1=CC(=O)C(C(C1CCC(C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5957","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009657","Ingredient_name": "(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7078","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "23251169","DrugBank_id": "NA"}
(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009732","Ingredient_name": "(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41392","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-Undecenoic acid,2,6,10-trimethyl-
{"Ingredient_id": "HBIN014194","Ingredient_name": "9-Undecenoic acid,2,6,10-trimethyl-","Alias": "NA","Ingredient_formula": "C14H26O2","Ingredient_Smile": "CC(CCCC(C)C(=O)O)CCC=C(C)C","Ingredient_weight": "226.35 g/mol","OB_score": "43.43201714","CAS_id": "NA","SymMap_id": "SMIT12536","TCMID_id": "NA","TCMSP_id": "MOL011665","TCM_ID_id": "NA","PubChem_id": "549556","DrugBank_id": "NA"}
annuionone e
{"Ingredient_id": "HBIN016243","Ingredient_name": "annuionone e","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(CCC1C2(CC(=O)CC1(OC2)C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1336","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101260349","DrugBank_id": "NA"}
annuionone g
{"Ingredient_id": "HBIN016245","Ingredient_name": "annuionone g","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=C=C1C(CC(CC1(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
