Exact Mass: 182.1306728
Exact Mass Matches: 182.1306728
Found 500 metabolites which its exact mass value is equals to given mass value 182.1306728,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geosmin
Geosmin is found in corn. Implicated in off-flavour of shellfish, freshwater fish, drinking water and some vegetables.Geosmin, which literally translates to "earth smell", is an organic compound with a distinct earthy flavour and aroma, and is responsible for the earthy taste of beets and a contributor to the strong scent that occurs in the air when rain falls after a dry spell of weather (petrichor) or when soil is disturbed. The human nose is extremely sensitive to geosmin and is able to detect it at concentrations as low as 5 parts per trillion. Implicated in off-flavour of shellfish, freshwater fish, drinking water and some vegetables
iridotrial
Dihydroconiferyl alcohol
Dihydroconiferyl alcohol, also known as 3-(4-guaiacyl)propanol or 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dihydroconiferyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroconiferyl alcohol can be found in lettuce and romaine lettuce, which makes dihydroconiferyl alcohol a potential biomarker for the consumption of these food products. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].
Neryl formate
Food flavouring. Neryl formate is found in lime, lemon, and sweet orange. Neryl formate is found in lemon. Neryl formate is a food flavouring.
1,2,3-Trimethoxy-5-methylbenzene
1,2,3-trimethoxy-5-methylbenzene is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. 1,2,3-trimethoxy-5-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-methylbenzene can be found in safflower and tea, which makes 1,2,3-trimethoxy-5-methylbenzene a potential biomarker for the consumption of these food products.
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid
Carcinine
A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine.
(±)-threo-Anethole glycol
(±)-threo-Anethole glycol is found in fruits. (±)-threo-Anethole glycol is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (±)-threo-Anethole glycol is found in fruits.
Linalyl formate
Linalyl formate is found in fruits. Linalyl formate is found in oils of lavender, peach, apricot, lime, clary and petitgrain. Linalyl formate is present in Prunus species. Linalyl formate is used in perfumery and food flavourin Linalyl formate is used in perfumery and food flavouring. It is found in oils of lavender, peach, apricot, lime, clary and petitgrain.
Methyl geranate
Methyl_geranate belongs to the family of Acyclic Monoterpenes. These are monoterpenes (compounds made of two consecutive isoprene units) that do not contain a cycle.
xi-2-Hexyl-5-methyl-3(2H)-furanone
xi-2-Hexyl-5-methyl-3(2H)-furanone is found in onion-family vegetables. xi-2-Hexyl-5-methyl-3(2H)-furanone is a constituent of onions, leeks and shallots.
4-Ethyl-2,6-dimethoxyphenol
4-Ethyl-2,6-dimethoxyphenol is a component of smoked food flavourings. Component of smoked food flavourings
Methyl (2E,4Z)-decadienoate
Methyl (2E,4Z)-decadienoate is found in fruits. Methyl (2E,4Z)-decadienoate is found in pears and spineless monkey orange. Flavour for candies et Found in pears and spineless monkey orange. Flavour for candies etc
4-(Ethoxymethyl)-2-methoxyphenol
4-(Ethoxymethyl)-2-methoxyphenol is a food additive listed in the EAFUS food Additive Database (Jan 2001). Food additive listed in the EAFUS Food Additive Database (Jan 2001)
(Z,Z)-3,6-Dodecadien-1-ol
(Z,Z)-3,6-Dodecadien-1-ol is found in herbs and spices. (Z,Z)-3,6-Dodecadien-1-ol is isolated from Jasminum sambac (Arabian jasmine Isolated from Jasminum sambac (Arabian jasmine). (Z,Z)-3,6-Dodecadien-1-ol is found in tea and herbs and spices.
Bornyl formate
Isobornyl formate is a flavouring agent. Flavouring agent
Methyl 4,8-decadienoate
Methyl 4,8-decadienoate is found in alcoholic beverages. Methyl 4,8-decadienoate is a constituent of essential oil of hops (Humulus lupulus) Constituent of essential oil of hops (Humulus lupulus). Methyl 4,8-decadienoate is found in alcoholic beverages and fats and oils.
Cyclododecanone
Cyclododecanone is found in tea. Cyclododecanone is a constituent of Panax notoginseng (sanchi)
2-Dodecenal
Cilantro is a delightful spice added to make tacos and guacamole delicious and enliven the taste and aroma of many Spanish/Mexican foods. However for some people cilantro tastes and smells like soap. A number of famous chefs abhor(ed) cilantro, including Julia Child, Ina Garten (aka Barefoot Contessa) and Top Chef Fabio Viviani. It turns out that the compound that gives Cilantro the pleasant citrus taste/smell is 2-dodecenal. If you have a mutation in an olafactory receptor, it cant distinguish between 2-dodecenal and 1-dodecenal. 1-dodecenal tastes and smells soapy. So for people who hate cilantro, 2-dodecenal looks and tastes like 1-dodecenal. [DW]. 2-Dodecenal is found in lemon. (E)-2-Dodecenal is found in animal foods. (E)-2-Dodecenal is present in many foods including citrus peel, ginger, carrots, milk, roast peanuts, roast beef and cured pork. (E)-2-Dodecenal is a flavouring agent
Verimol J
Verimol J is found in fruits. Verimol J is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol J is found in fruits.
2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is found in alcoholic beverages. 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is a constituent of hops
Tsibulin 2
Phytoalexin from Allium cepa bulbs (onion) infected with Botrytis cinerea. Tsibulin 2 is found in garden onion and onion-family vegetables. Tsibulin 2 is found in onion-family vegetables. Phytoalexin from Allium cepa bulbs (onion) infected with Botrytis cinerea.
Peperinic acid
Peperinic acid is found in herbs and spices. Peperinic acid is isolated from aged peppermint oil. Isolated from aged peppermint oil. Peperinic acid is found in herbs and spices.
alpha-Terpineol formate
alpha-Terpineol formate is found in cardamom. alpha-Terpineol formate is a flavouring agent Flavouring agent. alpha-Terpinyl formate is found in cardamom and sweet bay.
2-Ethyl-1,3,3-trimethyl-2-norbornanol
Earthy odorant used in perfumery and food flavouring [CCD]. It is used as a food additive .
5-Pentyl-3h-furan-2-one
5-Pentyl-3h-furan-2-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol
trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol 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 .
4-Hydroxy-4-methyl-7-decenoic acid gamma-lactone
4-Hydroxy-4-methyl-7-decenoic acid gamma-lactone is a flavouring agent for baked goods, candies and meat product Flavouring agent for baked goods, candies and meat products [DFC]
Ethyl octynecarboxylate
Ethyl octynecarboxylate is a flavouring ingredient. Flavouring ingredient
Furfuryl pentanoate
Furfuryl pentanoate is a flavouring ingredient. Flavouring ingredient
6-(3-Hexenyl)tetrahydro-2H-pyran-2-one
6-(3-Hexenyl)tetrahydro-2H-pyran-2-one is a flavouring ingredient. Flavouring ingredient
(3E,6Z)-Nonadien-1-yl acetate
(3E,6Z)-Nonadien-1-yl acetate is a food flavour.
(2E,6Z)-2,6-Nonadien-1-Yl acetate
(2E,6Z)-2,6-Nonadien-1-Yl acetate is a flavouring ingredient. Flavouring ingredient
cis-3-Hexenyl tiglate
cis-3-Hexenyl tiglate is a flavouring ingredient. Flavouring ingredient
2-Ethoxy-4-(methoxymethyl)phenol
2-Ethoxy-4-(methoxymethyl)phenol is a fragrance ingredient with a vanilla odour. Fragrance ingredient with a vanilla odour
(E)-2-Butyl-2-octenal
The E-form is a Pheromone isolated from the glands of Amblypelta nitida and Oecophylla longinodaand is) also found in essential oils of Acorus calamus (sweet flag) and Lactuca sativa [CCD] The E-form is a Pheromone isolated from the glands of Amblypelta nitida and Oecophylla longinoda. Also found in essential oils of Acorus calamus (sweet flag) and Lactuca sativa [CCD].
Furfuryl isovalerate
Furfuryl isovalerate is found in coffee and coffee products. Furfuryl isovalerate is a flavouring ingredient. Furfuryl isovalerate is a constituent of coffee aroma. Flavouring ingredient. Constituent of coffee aroma. Furfuryl isovalerate is found in coffee and coffee products.
Allyl cyclohexylacetate
Allyl cyclohexylacetate is a flavouring ingredient. Flavouring ingredient
Isoamyl 2-furoate
Isoamyl 2-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one
(S)-3-(2-Methylphenoxy)propane-1,2-diol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents Mephenesin is an NMDA receptor antagonist and Mephenesin is a central muscle relaxant.
7-Dodecenal
7-dodecenal 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. 7-dodecenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7-dodecenal can be found in coriander, which makes 7-dodecenal a potential biomarker for the consumption of this food product.
1-Ethoxy-p-menth-2-ene
1-ethoxy-p-menth-2-ene 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. 1-ethoxy-p-menth-2-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-ethoxy-p-menth-2-ene can be found in sweet marjoram, which makes 1-ethoxy-p-menth-2-ene a potential biomarker for the consumption of this food product.
4-Ethoxy-p-menth-1-ene
4-ethoxy-p-menth-1-ene 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. 4-ethoxy-p-menth-1-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-ethoxy-p-menth-1-ene can be found in sweet marjoram, which makes 4-ethoxy-p-menth-1-ene a potential biomarker for the consumption of this food product.
cis-3-Ethoxy-p-menth-1-ene
Cis-3-ethoxy-p-menth-1-ene 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. Cis-3-ethoxy-p-menth-1-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-3-ethoxy-p-menth-1-ene can be found in sweet marjoram, which makes cis-3-ethoxy-p-menth-1-ene a potential biomarker for the consumption of this food product.
(±)-erythro-Anethole glycol
Constituent of Illicium verum (Chinese star anise). (±)-erythro-Anethole glycol is found in fruits.
n-(hexahydro-1h-1,6-epoxypyrrolizin-7-yl)-n-methylformamide
xi-2-Hexyl-5-methyl-3(2H)-furanone
Xi-2-hexyl-5-methyl-3(2h)-furanone is a member of the class of compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Xi-2-hexyl-5-methyl-3(2h)-furanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xi-2-hexyl-5-methyl-3(2h)-furanone can be found in onion-family vegetables, which makes xi-2-hexyl-5-methyl-3(2h)-furanone a potential biomarker for the consumption of this food product. xi-2-Hexyl-5-methyl-3(2H)-furanone is found in onion-family vegetables. xi-2-Hexyl-5-methyl-3(2H)-furanone is a constituent of onions, leeks and shallots.
(5E,7E)-5,7-dodecadien-1-ol|(5E,7E)-dodecadien-1-ol|(E)-5,(E)-7-Dodecadien-1-ol|(Z,E)-5,7-dodecadienol|5E,7E-dodecadienol|dodeca-5t,7t-dien-1-ol|E-5,Z-7-dodecadienol
1,7-Dimethyl-3-oxo-norbornan-7-carbonsaeure|1,7-dimethyl-3-oxo-norbornane-7-carboxylic acid
(+-)-5-Oxo-2-isopropyl-cyclohexen-(6)-carbonsaeure-(1)|2-Isopropyl-cyclohexen-(6)-on-(5)-carbonsaeure-(1)|2-Methoaethyl-cyclohexen-(6)-on-(5)-carbonsaeure-(1)|5-oxo-o-menth-6-en-7-oic acid|5-Oxo-o-menth-6-en-7-saeure
3-[(2E)-4-hydroxy-4-methylpent-2-en-1-yl]furan-2(5H)-one|sibiscolactone
(3R,5S,7S,8S,9S)-3,8-epoxy-7-hydroxy-Delta4,11-dihyronepetane|jatamanin C
3-(1-hydroxybutyl)-2,4-dimethylcyclopent-2-enone|phomotenone
4-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxylic acid
methyl 5-isopropyl-2-methylcyclopentenecarboxylate
Dec-9-insaeure-methylester|dec-9-ynoic acid methyl ester|methyl 9-decynoate|Methyl dec-9-ynoate|methyl decinoate|methyl-9-decynoate
(1R,4R)-4-methoxy-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
1-(1-tert-butyl-4-hydroxy-1H-pyrazol-3-yl)ethanone
2,4(1H,3H)-Pyrimidinedione,6-methyl-3-(1-methylpropyl)-
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, methyl ester
1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
(3,3-DIMETHYLCYCLOPENT-1-ENYLMETHYL)TRIMETHYLSILANE
4,4,5,5-Tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
C10H19BO2 (182.14780240000002)
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
4-AMINO-6-(TERT-BUTYL)-1-METHYL-1,2-DIHYDRO-1,3,5-TRIAZIN-2-ONE
[4-(aminomethyl)piperidin-1-yl]-cyclopropylmethanone
3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
N-CYANO-N-[(TETRAHYDROFURAN-2-YL)METHYL]-N-METHYLGUANIDINE
4,4,5,5-tetramethyl-2-(2-methylprop-2-enyl)-1,3,2-dioxaborolane
C10H19BO2 (182.14780240000002)
1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid
1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid ethyl ester
5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE
3-(3,5-Dimethyl-pyrazol-1-yl)-2-methyl-propionic acid
Guanacline
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
4-TERT-BUTYL-1-CYCLOHEXEN-1-YLBORONIC ACID
C10H19BO2 (182.14780240000002)
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID
C8H15BN2O2 (182.12265200000002)
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid(SALTDATA: FREE)
Mildronate
Meldonium (MET-88) dihydrate functions as a cardioprotective agent by cpmpetetively inhibiting γ-butyrobetaine hydroxylase (BBOX) and carnitine/organic cation transporter type 2 (OCTN2). Mildronate dihydrate exhibits IC50 values of 34-62 μM for human recombinant BBOX and an EC50 of 21 μM for human OCTN2. Meldonium dihydrate is a fatty acid oxidation inhibitor[1][2].
5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine
2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C10H19BO2 (182.14780240000002)
1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)
3,3a,4,5,7,7a-Hexahydro-4,4,7a-trimethyl-6(2H)-benzofuranone
LITHIUM ALUMINUM HYDRIDE BIS(TETRAHYDRO&
C8H20AlLiO2 (182.14386800000003)
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
2-[(2E)-2-Buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C10H19BO2 (182.14780240000002)
1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
(Z)-2-(But-2-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C10H19BO2 (182.14780240000002)
2-Cyclohexylcyclopropanecarboxylic acid methyl ester
5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid(SALTDATA: FREE)
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetohydrazide(SALTDATA: FREE)
1,3-Cyclohexanedione,2-(diaminomethylene)-5,5-dimethyl-(9CI)
MELAMINE, N(sup 2),N(sup 2),N(sup 4),N(sup 4)-TETRAMETHYL-
Methyl geranate
Methyl geranate, also known as methyl geranic acid or methyl (2e)-3,7-dimethylocta-2,6-dienoate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Methyl geranate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl geranate can be found in caraway, which makes methyl geranate a potential biomarker for the consumption of this food product. Methyl geranate exists in all eukaryotes, ranging from yeast to humans. Methyl_geranate belongs to the family of Acyclic Monoterpenes. These are monoterpenes (compounds made of two consecutive isoprene units) that do not contain a cycle.
[(2R,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]azanium
isobornyl formate
A bornane monoterpenoid that is isoborneol in which the hydroxy hydrogen has been replaced by a formyl group.
2,6,6-Trimethyl-3-ethylcarbonyl-5,6-dihydro-4H-pyran
6-(3-Methyl-2-butenyloxy)-4-methyl-5,6-dihydro-2H-pyran
(E)-dodec-2-enal
A trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde.
dodec-10-yn-1-ol
An acetylenic compound that is dodecane carrying a triple bond at position 10 and a hydroxy group at position 1 respectively.
1-methoxy-4,7-dimethyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran
1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
n-methyl-n-{2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-yl}formamide
n-[(1r,3s,7s,8r)-2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-yl]ethanimidic acid
(4r)-3-[(1s)-1-hydroxybutyl]-2,4-dimethylcyclopent-2-en-1-one
methyl (5r)-5-isopropyl-2-methylcyclopent-1-ene-1-carboxylate
2-Butyl-2,7-octadien-1-ol
{"Ingredient_id": "HBIN005426","Ingredient_name": "2-Butyl-2,7-octadien-1-ol","Alias": "(2E)-2-butylocta-2,7-dien-1-ol","Ingredient_formula": "C12H22O","Ingredient_Smile": "CCCCC(=CCCCC=C)CO","Ingredient_weight": "182.3 g/mol","OB_score": "31.44560827","CAS_id": "NA","SymMap_id": "SMIT05523","TCMID_id": "NA","TCMSP_id": "MOL003460","TCM_ID_id": "NA","PubChem_id": "5362707","DrugBank_id": "NA"}
3,3-diethyl-4,5-dimethylhex-4-en-2-one
{"Ingredient_id": "HBIN007166","Ingredient_name": "3,3-diethyl-4,5-dimethylhex-4-en-2-one","Alias": "3,3-diethyl-4,5-dimethyl-hex-4-en-2-one; 4-Hexen-2-one, 3,3-diethyl-4,5-dimethyl-","Ingredient_formula": "C12H22O","Ingredient_Smile": "CCC(CC)(C(=C(C)C)C)C(=O)C","Ingredient_weight": "182.3 g/mol","OB_score": "46.69926013","CAS_id": "NA","SymMap_id": "SMIT05989","TCMID_id": "NA","TCMSP_id": "MOL003999","TCM_ID_id": "NA","PubChem_id": "549557","DrugBank_id": "NA"}
3,4-DIMETHYLBIPHENYL
{"Ingredient_id": "HBIN007448","Ingredient_name": "3,4-DIMETHYLBIPHENYL","Alias": "4433-11-8; 1,2-dimethyl-4-phenyl-benzene; 1,1'-Biphenyl, 3,4-dimethyl-; 1,2-dimethyl-4-phenylbenzene","Ingredient_formula": "C14H14","Ingredient_Smile": "CC1=C(C=C(C=C1)C2=CC=CC=C2)C","Ingredient_weight": "182.26 g/mol","OB_score": "27.28789278","CAS_id": "4433/11/8","SymMap_id": "SMIT07437","TCMID_id": "NA","TCMSP_id": "MOL005715","TCM_ID_id": "NA","PubChem_id": "20492","DrugBank_id": "NA"}
Bicyclo[ 2.2.1] heptan-2-ol, 1, 7, 7-trimethyl-, formate, endo
{"Ingredient_id": "HBIN018409","Ingredient_name": "Bicyclo[ 2.2.1] heptan-2-ol, 1, 7, 7-trimethyl-, formate, endo","Alias": "NA","Ingredient_formula": "C11H18O2","Ingredient_Smile": "CC1(C2CCC1(C(C2)OC=O)C)C","Ingredient_weight": "182.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6432696","DrugBank_id": "NA"}