Exact Mass: 128.1313
Exact Mass Matches: 128.1313
Found 500 metabolites which its exact mass value is equals to given mass value 128.1313,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Octanal
Octanal, also known as 1-caprylaldehyde or aldehyde C-8, 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. Thus, octanal is considered to be a fatty aldehyde lipid molecule. A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). Octanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Octanal exists in all eukaryotes, ranging from yeast to humans. Octanal is an aldehydic, citrus, and fat tasting compound. Octanal is commonly found in high concentrations in limes, caraway, and mandarin orange (clementine, tangerine) and in lower concentrations in wild carrots and carrots. Octanal has also been detected, but not quantified in several different foods, such as cherry tomato, brussel sprouts, alaska wild rhubarbs, sweet marjorams, and sunflowers. N-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings. Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. Octanal is a natural product found in Eupatorium cannabinum, Thymus zygioides, and other organisms with data available. Octanal is a metabolite found in or produced by Saccharomyces cerevisiae. Isolated from various plant oils especies Citrus subspeciesand is also present in kumquat peel oil, cardamom, coriander, caraway and other herbs. Flavouring agent, used in artificial citrus formulations A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1]. Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1].
(R)-Sulcatol
(R)-Sulcatol is found in herbs and spices. (R)-Sulcatol occurs in lemongrass oi Flavouring ingredient. 6-Methyl-5-hepten-2-ol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4630-06-2 (retrieved 2024-07-12) (CAS RN: 1569-60-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid is a flavouring ingredien Flavouring ingredient KEIO_ID C180 Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1].
(R)-1-Octen-3-ol
Isolated from a number of essential oils, e.g. lavender, leek, mint and mushrooms. Food odorant responsible for typical mushroom odour. Flavouring ingredient. (R)-1-Octen-3-ol is found in mushrooms, onion-family vegetables, and herbs and spices. (R)-1-Octen-3-ol, also known as 1-vinylhexanol or 3-hydroxy-1-octene, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2]. Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2].
Ethyl pentyl ketone
Ethyl pentyl ketone, also known as 3-oxooctane or eak, 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, ethyl pentyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Ethyl pentyl ketone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl pentyl ketone is a sweet, butter, and fresh tasting compound and can be found in a number of food items such as rosemary, hyssop, spearmint, and rocket salad (sspecies), which makes ethyl pentyl ketone a potential biomarker for the consumption of these food products. Ethyl pentyl ketone can be found primarily in feces and saliva. Ethyl pentyl ketone exists in all eukaryotes, ranging from yeast to humans. Ethyl pentyl ketone, also known as 3-oxooctane or EAK, 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. Thus, ethyl pentyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. Ethyl pentyl ketone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Ethyl pentyl ketone has been detected, but not quantified, in cardamoms and lemons. This could make ethyl pentyl ketone a potential biomarker for the consumption of these foods. Ethyl pentyl ketone, with regard to humans, has been linked to the inborn metabolic disorder celiac disease.
Ethyl tiglate
Ethyl tiglate, also known as ethyl tiglic acid or fema 2460, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl tiglate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient
2-Octanone
2-Octanone, also known as octan-2-one or fema 2802, 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. Thus, 2-octanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Octanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Octanone is a bitter, earthy, and gasoline tasting compound. 2-Octanone has been detected, but not quantified, in several different foods, such as tortilla chips, cloves, tea, corns, and pomes. This could make 2-octanone a potential biomarker for the consumption of these foods. A methyl ketone that is octane substituted by an oxo group at position 2. Trace constituent of plant oilsand is also present in apple, apricot, banana, papaya, wheat bread, other breads, cheddar cheese, Swiss cheese, coffee, black tea, roasted filbert, plum brandy and cooked shrimp. Flavouring ingredient. 2-Octanone is found in many foods, some of which are carrot, crustaceans, alcoholic beverages, and pomes.
3,4-Dimethylheptane
3,4-Dimethylheptane is found in green vegetables. 3,4-Dimethylheptane is a constituent of the flowers of Osmanthus fragrans (sweet osmanthus) and Viola odorata (sweet violet)
3,4-Heptanedione
3,4-Heptanedione is found in coffee and coffee products. 3,4-Heptanedione is a constituent of coffee
Dihydro-5-propyl-2(3H)-furanone
xi-Dihydro-5-propyl-2(3H)-furanone is found in alcoholic beverages. xi-Dihydro-5-propyl-2(3H)-furanone is present in papaya, peach, pineapple, mango, nectarine, cape gooseberry, asparagus, licorice, black tea, wines and canned beef. Flavouring agent [DFC]. 4-Propyl-gamma-butyrolactone is found in peach.
2,3,4-Trimethylhexane
2,3,4-Trimethylhexane is found in fats and oils. 2,3,4-Trimethylhexane is isolated from the flowers of Helianthus annuus (sunflower
5-Methyl-2,3-hexanedione
5-Methyl-2,3-hexanedione is found in coffee and coffee products. 5-Methyl-2,3-hexanedione is a constituent of coffee and American potato chips. 5-Methyl-2,3-hexanedione is a flavour ingredient Constituent of coffee and American potato chips. Flavour ingredient. 5-Methyl-2,3-hexanedione is found in coffee and coffee products and potato.
2-Heptenoic acid
(E)-2-Heptenoic acid is a flavouring ingredien Flavouring ingredient
Methyl (Z)-3-hexenoate
Methyl (Z)-3-hexenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). Minor constituent of pineapples, also found in soursop (Annona muricata) and mountain papaya (Carica pubescens).
(E)-2-Octen-1-ol
(E)-2-Octen-1-ol is a predominant volatile odour compound produced by Aspergillus flavus ; (E)-2-Octen-1-ol is a flavouring ingredient. [CCD]. Found in grapes, ripe bananas, mushroom volatiles and various other vegetable sources. Food flavour/aroma component
(Z)-3-Octen-1-ol
(Z)-3-Octen-1-ol is found in fruits. (Z)-3-Octen-1-ol is a flavouring ingredient present in banana, passionfruit and green peas. Flavouring ingredient present in banana, passionfruit and green peas. (Z)-3-Octen-1-ol is found in pulses and fruits.
4-Methyl-5-hexanolide
(5R*,6S*)-Tetrahydro-5,6-dimethyl-2H-pyran-2-one is found in milk and milk products. Minor flavour constituent of milk (trans-form of undetermined absolute configuration). Minty flavouring agent [CCD]
2,5-Diethyltetrahydrofuran
(-)-trans-2,5-Diethyltetrahydrofuran is found in herbs and spices. (-)-trans-2,5-Diethyltetrahydrofuran is a constituent of the essential oil of Mentha species Constituent of the essential oil of Mentha subspecies (-)-trans-2,5-Diethyltetrahydrofuran is found in herbs and spices.
4-Heptenoic acid
4-Heptenoic acid is found in alcoholic beverages. 4-Heptenoic acid is isolated as the Me ester from oil of Humulus lupulus (hops). Isol. as the Me ester from oil of Humulus lupulus (hops). 4-Heptenoic acid is found in alcoholic beverages and fats and oils.
2,3-Heptanedione
2,3-Heptanedione, also known as heptane-23-dione or 2,3-dioxoheptane, belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms. Thus, 2,3-heptanedione is considered to be an oxygenated hydrocarbon lipid molecule. 2,3-Heptanedione is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,3-Heptanedione is a butter, cheese, and oily tasting compound. 2,3-Heptanedione has been detected, but not quantified, in several different foods, such as alcoholic beverages, garden tomato, mushrooms, and pulses. This could make 2,3-heptanedione a potential biomarker for the consumption of these foods. Flavour ingredient. Found in tomato, beer, rum, soybean, mushroom and shoyn
Isopentenyl acetate
Isopentenyl acetate is found in fats and oils. Isopentenyl acetate is a constituent of ylang-ylang oil Constituent of ylang-ylang oil. Prenyl acetate is found in fats and oils.
Methyl 2E-hexenoate
Methyl 2E-hexenoate is found in fruits. Methyl 2E-hexenoate is a flavouring ingredient. Methyl 2E-hexenoate is present in papaya (Carica species), peas and soursop (Annona muricata Methyl 2E-hexenoate is a flavouring ingredient. It is found in papaya (Carica spp.), peas and soursop (Annona muricata), pulses, and fruits.
Nonane
Nonane is found in common oregano. Nonane is present in numerous plant oils including olive oils.Nonane is a linear alkane hydrocarbon with the chemical formula C9H20. Nonane has 35 structural isomers. (Wikipedia Present in numerous plant oils including olive oils
3-Methyl-3-butenyl acetate
3-Methyl-3-butenyl acetate 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-Methyl-4-heptanone
2-Methyl-4-heptanone is an ant pheromone used to alarm fellow ants (Elma A. de Jong and Ben L. Feringa, The synthesis of 2-methyl-4-heptanone, J. Chem. Educ., 68(1), p71, 1991).
1,3-Diacetylpropane
1,3-Diacetylpropane is an acetylated polyamine that can be found in urine.
2,2,3,4-Tetramethylpentane
2,2,3,4-Tetramethylpentane is found in alcoholic beverages. 2,2,3,4-Tetramethylpentane is a constituent of Jasminum sambac (Arabian Jasmine) and Humulus lupulus (hops)
1-Methoxy-3-methylene-2-pentanone
1-Methoxy-3-methylene-2-pentanone is found in fruits. 1-Methoxy-3-methylene-2-pentanone is a constituent of Actinidia chinensis (kiwi fruit), Phaseolus lunatus (butter bean) and Jasminum sambac (Arabian Jasmine)
(Z)-5-Octen-1-ol
(Z)-5-Octen-1-ol is found in fruits. (Z)-5-Octen-1-ol is a constituent of apples, banana and passionfruit. (Z)-5-Octen-1-ol is a flavouring ingredient Constituent of apples, banana and passionfruit. Flavouring ingredient. 5Z-Octenol is found in pomes and fruits.
(±)-(E)-2-Octen-4-ol
(±)-(E)-2-Octen-4-ol is a food flavourant for baked goods and candie
Cyclohexyl formate
Cyclohexyl formate is a flavouring ingredien Flavouring ingredient
Ethyl 4-pentenoate
Ethyl 4-pentenoate 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-Methyl-3-heptanone
2-Methyl-3-heptanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
trans-3-Octen-2-ol
3-Octen-2-ol is found in cereals and cereal products. 3-Octen-2-ol is a flavouring ingredient. 3-Octen-2-ol is produced from mold (Penicillium cyclopium, Aspergilus amstelodami) affected wheat grains. Also present in fish oil and krill products. Flavouring ingredient. Produced from mold (Penicillium cyclopium, Aspergilus amstelodami) affected wheat grainsand is) also present in fish oil and krill products. 3-Octen-2-ol is found in cereals and cereal products and fishes.
4-Pentenyl acetate
4-Pentenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(E)-3-Octen-1-ol
Oct-3-en-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Oct-3-en-1-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (E)-3-Octen-1-ol is found in fruits. (E)-3-Octen-1-ol is found in ripe banana
xi-7-Octen-2-ol
xi-7-Octen-2-ol is found in milk and milk products. xi-7-Octen-2-ol is present in goats cheese. Present in goats cheese. xi-7-Octen-2-ol is found in milk and milk products.
2-Hexenyl formate
2-Hexenyl formate is a flavouring ingredient. Flavouring ingredient
2,4-Dimethyl-2-pentenoic acid
2,4-Dimethyl-2-pentenoic acid is a flavouring ingredient. Flavouring ingredient
cis-3-Hexenyl formate
cis-3-Hexenyl formate is found in fruits. cis-3-Hexenyl formate is present in tea aroma, raspberry, cornmint oil and black chokeberry (Arronia melanocarpa Ell.). cis-3-Hexenyl formate is used in flavour compositions. Present in tea aroma, raspberry, cornmint oil and black chokeberry (Arronia melanocarpa Ell.). It is used in flavour compositions. cis-3-Hexenyl formate is found in tea, herbs and spices, and fruits.
Allyl butyrate
Fruit flavouring ingredient. Fruit flavouring ingredient
Pantolactone
Pantolactone 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 ketone group on the carbon adjacent to the oxygen atom.
3,4-Dimethylcyclohexanol
3,4-Dimethylcyclohexanol belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
3,5-Dimethylcyclohexanol
3,5-Dimethylcyclohexanol belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
3-Methyl-4-ethylhexane
3-methyl-4-ethylhexane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. 3-methyl-4-ethylhexane can be found in wild celery, which makes 3-methyl-4-ethylhexane a potential biomarker for the consumption of this food product.
Oct-trans-2-en-1-ol
Oct-trans-2-en-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, oct-trans-2-en-1-ol is considered to be a fatty alcohol lipid molecule. Oct-trans-2-en-1-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Oct-trans-2-en-1-ol can be found in corn, oat, and watermelon, which makes oct-trans-2-en-1-ol a potential biomarker for the consumption of these food products.
7-Octen-4-ol
7-octen-4-ol 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). 7-octen-4-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 7-octen-4-ol can be found in soy bean, which makes 7-octen-4-ol a potential biomarker for the consumption of this food product.
4-Octanone
4-octanone 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. 4-octanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-octanone can be found in lovage, which makes 4-octanone a potential biomarker for the consumption of this food product. Octanone may refer to any of three isomeric chemical compounds: 2-Octanone 3-Octanone 4-Octanone .
5-Methylheptan-3-one
5-methylheptan-3-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, 5-methylheptan-3-one is considered to be an oxygenated hydrocarbon lipid molecule. 5-methylheptan-3-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5-methylheptan-3-one can be found in peppermint, which makes 5-methylheptan-3-one a potential biomarker for the consumption of this food product.
2-Ethylhexanal
A saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group. It is a metabolite of the plasticisers di-2-ethylhexyl phthalate (DEHP) and di-2-ethylhexyl adipate (DEHA).
2,3,5-TRIMETHYLHEXANE
An alkane that is hexane substituted by a methyl group at positions 2,3 and 5.
4-Piperidinecarboxamide
CONFIDENCE standard compound; INTERNAL_ID 2230 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3155
Octanal
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1]. Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1].
1-OCTEN-3-OL
Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2]. Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2].
4-Methylheptan-3-one
A dialkyl ketone that is 4-methylheptane substituted by an oxo group at position 3.
FOH 8:1
Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2]. Oct-1-en-3-ol, a fatty acid fragrant, is a self-stimulating oxylipin messenger. Oct-1-en-3-ol serves as a signaling molecule in plant cellular responses, plant-herbivore interactions, and plant-plant interactions. Oct-1-en-3-ol causes dopamine neuron degeneration through disruption of dopamine handling[1][2].
3-Octanone
A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.
Pyrimidine, hexahydro-1,2,4-trimethyl-, (2R-trans)- (9CI)
3-METHYLAMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[(3S)-1-methylpiperidin-3-yl]methanamine,dihydrochloride
3-AMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1H-Imidazole-1,2-diamine,4,5-dihydro-N2,4-dimethyl-(9CI)
Cyclopropyl-(2,6-dichloro-pyrimidin-4-ylmethyl)-amine
2,4-Dimethylheptane
An alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4.
(1E)-1,2-DIPYRIDIN-2-YLETHANE-1,2-DIONETHIOSEMICARBAZONE
(2R,3R)-2,3-di(propan-2-yl)oxirane
An epoxide that is oxirane substituted by propan-2-yl groups at positions 2 and 3 respectively (the 2R,3R-stereoisomer).
7-Octen-2-ol
An olefinic compound that octan-2-ol carrying a double bond at position 7.
Oct-1-en-3-ol
An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi.
1-methylcycloheptanol
{"Ingredient_id": "HBIN002797","Ingredient_name": "1-methylcycloheptanol","Alias": "NA","Ingredient_formula": "C8H16O","Ingredient_Smile": "CC1(CCCCCC1)O","Ingredient_weight": "128.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40240","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "77376","DrugBank_id": "NA"}
1-Octen-4-ol
{"Ingredient_id": "HBIN002886","Ingredient_name": "1-Octen-4-ol","Alias": "NA","Ingredient_formula": "C8H16O","Ingredient_Smile": "CCCCC(CC=C)O","Ingredient_weight": "128.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35208","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "142471","DrugBank_id": "NA"}
2,2,3,3-Tetramethylcyclopropanemethanol
{"Ingredient_id": "HBIN003637","Ingredient_name": "2,2,3,3-Tetramethylcyclopropanemethanol","Alias": "Cyclopropanemethanol, 2,2,3,3-tetramethyl-; (2,2,3,3-tetramethylcyclopropyl)methanol","Ingredient_formula": "C8H16O","Ingredient_Smile": "CC1(C(C1(C)C)CO)C","Ingredient_weight": "128.21 g/mol","OB_score": "48.82811964","CAS_id": "NA","SymMap_id": "SMIT12541","TCMID_id": "NA","TCMSP_id": "MOL011670","TCM_ID_id": "NA","PubChem_id": "544179","DrugBank_id": "NA"}
2-Methyl-6-hepten-3-ol
{"Ingredient_id": "HBIN006009","Ingredient_name": "2-Methyl-6-hepten-3-ol","Alias": "NA","Ingredient_formula": "C8H16O","Ingredient_Smile": "CC(C)C(CCC=C)O","Ingredient_weight": "128.21","OB_score": "69.99225729","CAS_id": "78631-45-5","SymMap_id": "SMIT05982","TCMID_id": "NA","TCMSP_id": "MOL003990","TCM_ID_id": "NA","PubChem_id": "144868","DrugBank_id": "NA"}
