Exact Mass: 126.1045
Exact Mass Matches: 126.1045
Found 500 metabolites which its exact mass value is equals to given mass value 126.1045,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulcatone
Sulcatone, also known as methylheptenone or fema 2707, belongs to the class of organic compounds known as ketones. These 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. Sulcatone is a very hydrophobic methylketone, practically insoluble in water, and relatively neutral. It exists as a clear, colorless liquid. Sulcatone can be found in all eukaryotes, ranging from yeast to plants to humans. Sulcatone has a musty, apple green-bean, and pear-like taste. and a citrus-like lemongrass odor. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is naturally found in bay leaf, blackberry fruit, sour cherries, cloves, ginger and lavender. In insects and animals, it has a role as an alarm or attractant pheromone. In fact, sulcatone is one of a number of mosquito attractants, especially for those species such as Aedes aegypti with the odor receptor gene Or4 (PMID:25391959 ). Sulcatone is secreted by humans in their sweat and is a compound frequently found in human body odors (but in few other mammals). Sulcoatone is used as a pheromone by ferrets, european badgers, red foxes, treefrogs, bedbugs, wasps and butterflies. Sulcatone is one of several ketones found in Cannabis sativa (PMID:6991645 ). Sulcatone, also known as 6-methylhept-5-en-2-one, 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. Thus, sulcatone is considered to be an oxygenated hydrocarbon lipid molecule. Sulcatone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Sulcatone is an apple, bitter, and citrus tasting compound and can be found in a number of food items such as oil palm, winter savory, european plum, and swamp cabbage, which makes sulcatone a potential biomarker for the consumption of these food products. Sulcatone can be found primarily in feces and saliva. Sulcatone exists in all eukaryotes, ranging from yeast to humans. Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.
(E)-2-octenal
Oct-2-en-1-al, also known as 2-octenal or oct-(E)-2-enal, 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. Oct-2-en-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Oct-2-en-1-al can be found in black walnut and burdock, which makes oct-2-en-1-al a potential biomarker for the consumption of these food products. Oct-2-en-1-al can be found primarily in feces and urine. (E)-2-octenal is a flavoring ingredient for improving the aroma and flavor of cherries, dairy products, nuts, and meat. It is a colorless to slightly yellow liquid with fresh cucumber, fragrant herbs, banana leaf-like flavor. The boiling point of (E)-2-octenal (CAS 2548-87-0) is 84-86 degree Celcius, and when heated to decomposition it emits acrid smoke and irritating vapours.
3-Octen-2-one
3-Octen-2-one, also known as fema 3416, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 3-Octen-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 3-octen-2-one is considered to be an oxygenated hydrocarbon lipid molecule. 3-Octen-2-one is a sweet, blueberry, and crushed bug tasting compound. 3-octen-2-one has been detected, but not quantified, in several different foods, such as potato, green vegetables, cereals and cereal products, fishes, and nuts. This could make 3-octen-2-one a potential biomarker for the consumption of these foods. 3-Octen-2-one has been found to be associated with the diseases such as ulcerative colitis; also 3-octen-2-one has been linked to the inborn metabolic disorders including celiac disease. Vanilla volatile, mushroom flavour component of Boletus edulis (porcini)and is also present in asparagus, baked or French fried potato, raw lean fish, chicken fat, white wine, roasted filbert, coriander seed and rice. Flavouring ingredient. 3-Octen-2-one is found in many foods, some of which are nuts, potato, cereals and cereal products, and animal foods.
(3xi,5Z)-1,5-Octadien-3-ol
Off-flavour component of cooked prawns and sand-lobsters. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. Off-flavour component of cooked prawns and sand-lobster
(3E,5Z)-3,5-Octadien-1-ol
(3Z,5Z)-3,5-Octadien-1-ol is found in pomes. (3Z,5Z)-3,5-Octadien-1-ol is a flavour component of kogyoku apple oil. Flavour component of kogyoku apple oil. (3E,5Z)-3,5-Octadien-1-ol is found in pomes.
5-Octen-2-one
5-Octen-2-one is found in citrus. 5-Octen-2-one is isolated from bergamot orange (Citrus bergamia) and black te Isolated from bergamot orange (Citrus bergamia) and black tea. 5-Octen-2-one is found in tea and citrus.
3,4-Dimethyl-1,2-cyclopentanedione
3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4-Dimethyl-1,2-cyclopentanedione is a constituent of coffee. 3,4-Dimethyl-1,2-cyclopentanedione is a flavouring additive with sugary/maple/caramel taste. Constituent of coffee. Flavouring additive with sugary/maple/caramel taste. 3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products.
Enol-3-Ethyl-1,2-cyclopentanedione
Enol-3-Ethyl-1,2-cyclopentanedione is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
xi-5-Isopropyl-2(5H)-furanone
xi-5-Isopropyl-2(5H)-furanone is found in fats and oils. xi-5-Isopropyl-2(5H)-furanone is a component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. Component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. xi-5-Isopropyl-2(5H)-furanone is found in fats and oils.
(2E,4E)-2,4-Octadien-1-ol
(2E,4E)-2,4-Octadien-1-ol is a flavouring ingredient. Flavouring ingredient
(S,E)-Filbertone
(S,E)-Filbertone is found in nuts. Principal flavour constituent of hazelnuts. (S,E)-Filbertone is a flavouring ingredient. Principal flavour constituent of hazelnuts. Flavouring ingredient. (S,E)-Filbertone is found in nuts.
6-Methyl-3-hepten-2-one, trans-
6-Methyl-3-hepten-2-one, trans- is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Methyl-1,2-cyclohexanedione
3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products. 3-Methyl-1,2-cyclohexanedione is a constituent of coffee. 3-Methyl-1,2-cyclohexanedione is a flavouring ingredient. Constituent of coffee. Flavouring ingredient. 3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products.
Isopropylcyclohexane
Isopropylcyclohexane is found in fruits. Isopropylcyclohexane is found in Carica papaya (papaya). Found in Carica papaya (papaya)
xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one
Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one can be found in herbs and spices, which makes xi-4-hydroxy-4-methyl-2-cyclohexen-1-one a potential biomarker for the consumption of this food product. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is found in herbs and spices. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is a constituent of Nigella sativa (black cumin) and peppermint oil (Mentha piperita).
3-Ethyl-1,2-cyclopentanedione
3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-1,2-cyclopentanedione is isolated from coffee and tobacco. 3-Ethyl-1,2-cyclopentanedione is a flavouring material, with caramel flavour and flavour enhancing properties Isolated from coffee and tobacco. Flavouring material, with caramel flavour and flavour enhancing props. 3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products.
1-Octen-3-one
1-Octen-3-one is found in fruits. Mushroom flavour component (shiitake, matsutake). Also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods Oct-1-en-3-one (CH2=CHC(=O)(CH2)4CH3), also known as 1-octen-3-one, is the odorant that is responsible for the typical metallic smell of metals and blood coming into contact with skin. Oct-1-en-3-one has a strong metallic mushroom-like odor with an odor detection threshold of 0.03 - 1.12 µg/m and it is the main compound responsible for the "smell of metal", followed by decanal (smell: orange skin, flowery) and nonanal (smell: tallowy, fruity). Oct-1-en-3-one is the degradative reduction product of the chemical reaction of skin lipid peroxides and Fe2+. Skin lipid peroxides are formed from skin lipid by oxidation, either enzymatically by lipoxygenases or by air oxygen. Oct-1-en-3-one is a ketone analog of the alkene 1-octene Mushroom flavour component (shiitake, matsutake)and is also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods
2,5-Octadien-1-ol
2,5-Octadien-1-ol is found in fishes. 2,5-Octadien-1-ol is a constituent of various fish and other marine animals. Constituent of various fish and other marine animals. 2,5-Octadien-1-ol is found in fishes.
2,4,4-Trimethylcyclopentanone
2,4,4-Trimethylcyclopentanone is found in fats and oils. 2,4,4-Trimethylcyclopentanone is isolated from oil of Mentha pulegium (European pennyroyal
3,5-Dimethyl-1,2-cyclopentanedione
3,5-Dimethyl-1,2-cyclopentanedione is found in animal foods. 3,5-Dimethyl-1,2-cyclopentanedione is a constituent of coffee and cooked cured pork. 3,5-Dimethyl-1,2-cyclopentanedione is a flavouring agent. Constituent of coffee and cooked cured pork. Flavouring agent. 3,5-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products and animal foods.
Methyl sorbate
Methyl sorbate is a flavouring ingredien Flavouring ingredient
4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone
4-methyl-4-vinyl-gamma-butyrolactone 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. 4-methyl-4-vinyl-gamma-butyrolactone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-methyl-4-vinyl-gamma-butyrolactone has a fruity and minty taste. 4-methyl-4-vinyl-gamma-butyrolactone exists in all eukaryotes, ranging from yeast to humans. 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Octen-4-one
2-Octen-4-one is found in cereals and cereal products. 2-Octen-4-one is a flavouring ingredient. 2-Octen-4-one is present in roasted hazelnut and white brea 2-Octen-4-one is a flavouring ingredient. It is found in roasted hazelnut, white bread, and cereal products.
3-Methyl-3-hepten-2-one
3-Methyl-3-hepten-2-one is found in herbs and spices. 3-Methyl-3-hepten-2-one is a constituent of the oil of Glycyrrhiza glabra (licorice)
5-Methyl-5-hepten-2-one
5-Methyl-5-hepten-2-one is found in root vegetables. 5-Methyl-5-hepten-2-one is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). 5-Methyl-5-hepten-2-one is found in root vegetables.
Allyl crotonate
Allyl crotonate is found in nuts. Allyl crotonate is found in roasted filberts (Corylus avellana Found in roasted filberts (Corylus avellana)
4-Octen-3-one
4-Octen-3-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-(3-Ethyloxiranyl)-2-propenal
Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adducts Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adduct
2-Ethylidenehexanal
2-Ethylidenehexanal is a flavouring ingredient, imparting sweet nutty flavour. Flavouring ingredient, imparting sweet nutty flavour
2-(Ethoxymethyl)furan
2-(Ethoxymethyl)furan 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-Ethyl-2-hexenal
2-Ethyl-2-hexenal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
N(tele)-methylhistaminium
N(tele)-methylhistaminium is considered to be slightly soluble (in water) and basic COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Isopropylcyclopentanone
2-isopropylcyclopentanone is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-isopropylcyclopentanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-isopropylcyclopentanone can be found in cornmint, which makes 2-isopropylcyclopentanone a potential biomarker for the consumption of this food product.
1-(3-Aminopropyl)-pyrrolinium
1-(3-aminopropyl)-pyrrolinium is a member of the class of compounds known as pyrrolopyrimidines. Pyrrolopyrimidines are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 1-(3-aminopropyl)-pyrrolinium is soluble (in water) and a very strong basic compound (based on its pKa). 1-(3-aminopropyl)-pyrrolinium can be found in barley, common wheat, corn, and oat, which makes 1-(3-aminopropyl)-pyrrolinium a potential biomarker for the consumption of these food products.
3-Octenal
3-octenal 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, 3-octenal is considered to be a fatty aldehyde lipid molecule. 3-octenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-octenal can be found in coriander, which makes 3-octenal a potential biomarker for the consumption of this food product.
3,5,5,Trimethyl-2-hexene
3,5,5,trimethyl-2-hexene is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 3,5,5,trimethyl-2-hexene can be found in soy bean, which makes 3,5,5,trimethyl-2-hexene a potential biomarker for the consumption of this food product.
trans-Octen-2-al
Trans-octen-2-al, also known as (E)-2-octenal or 2-octenal, (E)-isomer, 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, trans-octen-2-al is considered to be a fatty aldehyde lipid molecule. Trans-octen-2-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-octen-2-al can be found in ginger and potato, which makes trans-octen-2-al a potential biomarker for the consumption of these food products.
Filbertone
Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods . Flavouring compound [Flavornet]
6-METHYL-5-HEPTEN-2-ONE
Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.
2-Ethyl-2-hexenal
A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.
7-OCTEN-2-ONE
An methyl ketone that is octan-2-one carrying a double bond at position 7.
(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal
1,5-diazabicyclo[4.3.0]nonane
An azabicycloalkane that consists of a hexahydropyrimidine ring fused with a cyclopentane ring at positions 2 and 3.
(E)-2-octenal
2-octenal, also known as 2-octenal, (Z)-isomer, 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. 2-octenal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-octenal has a fatty and green taste. 2-octenal can be found primarily in blood. 2-octenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).
1-(1H-1,2,4-triazol-1-yl)propan-2-amine(SALTDATA: FREE)
Spiro[2,3-diazabicyclo[2.2.1]heptane-7,2-oxirane] (9CI)
3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-1-AMINE HYDROCHLORIDE
2,4-DIMETHYL-1-HEPTENE
An alkene that is 2-methylhept-1-ene carrying a methyl group at position 4.
N-{4-[4-(PIPERIDINOMETHYL)PYRIDYL-2-OXY]-CIS-2-BUTENE}PHTHALIMIDE MALEIC ACID
Filbertone
Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods .
(2-CHLORO-6-METHYL-PYRIMIDIN-4-YL)-CYCLOPROPYL-AMINE
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxaMide
(1R,3S,5R)-2-Azabicyclo[3.1.0]hexane-3-carboxamide
1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE
(3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole
6-Heptyne-2,5-diamine
D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors D000970 - Antineoplastic Agents
Sulcatone
A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.
trans-Octen-2-al
Trans-octen-2-al, also known as (E)-2-octenal or 2-octenal, (E)-isomer, 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, trans-octen-2-al is considered to be a fatty aldehyde lipid molecule. Trans-octen-2-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-octen-2-al can be found in ginger and potato, which makes trans-octen-2-al a potential biomarker for the consumption of these food products.
N(tele)-methylhistaminium
Conjugate acid of N(tele)-methylhistamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(Z)-2-ethyl-2-hexenal
A 2-ethyl-2-hexenal in which the double bond adopts a cis-configuration.
(E)-2-ethyl-2-hexenal
A 2-ethyl-2-hexenal in which the double bond adopts a trans-configuration.
1,1,2-trimethyl-tricyclodecane
{"Ingredient_id": "HBIN000307","Ingredient_name": "1,1,2-trimethyl-tricyclodecane","Alias": "NA","Ingredient_formula": "C9H18","Ingredient_Smile": "CC1CCCCC1(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,1-dimethyl-2-ethyl cyclopentane
{"Ingredient_id": "HBIN000411","Ingredient_name": "1,1-dimethyl-2-ethyl cyclopentane","Alias": "NA","Ingredient_formula": "C9H18","Ingredient_Smile": "CCC1CCCC1(C)C","Ingredient_weight": "126.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9633","PubChem_id": "41123","DrugBank_id": "NA"}
1,6-octadien-3-ol
{"Ingredient_id": "HBIN001932","Ingredient_name": "1,6-octadien-3-ol","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CC=CCCC(C=C)O","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11040710","DrugBank_id": "NA"}
2,4,4-trimethylcyclopentanone,9ci,8ci
{"Ingredient_id": "HBIN004219","Ingredient_name": "2,4,4-trimethylcyclopentanone,9ci,8ci","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "4694/12/6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8917","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-2-Hepten-4-one
{"Ingredient_id": "HBIN005955","Ingredient_name": "2-methyl-2-Hepten-4-one","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCCC(=O)C=C(C)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36733","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "31138","DrugBank_id": "NA"}
2-octenal(E)
{"Ingredient_id": "HBIN006226","Ingredient_name": "2-octenal(E)","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCCCCC=CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,4-trimethyl-2-hexene
{"Ingredient_id": "HBIN007231","Ingredient_name": "3,4,4-trimethyl-2-hexene","Alias": "NA","Ingredient_formula": "C9H18","Ingredient_Smile": "CCC(C)(C)C(=CC)C","Ingredient_weight": "126.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5369064","DrugBank_id": "NA"}
3,4-dimethyl-3-hexen-2-one
{"Ingredient_id": "HBIN007443","Ingredient_name": "3,4-dimethyl-3-hexen-2-one","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CCC(=C(C)C(=O)C)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8280","PubChem_id": "5363236","DrugBank_id": "NA"}
4,4-Dimethyl-cyclohex-2-en-1-ol
{"Ingredient_id": "HBIN009950","Ingredient_name": "4,4-Dimethyl-cyclohex-2-en-1-ol","Alias": "NA","Ingredient_formula": "C8H14O","Ingredient_Smile": "CC1(CCC(C=C1)O)C","Ingredient_weight": "126.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "543508","DrugBank_id": "NA"}
