Exact Mass: 182.1114
Exact Mass Matches: 182.1114
Found 500 metabolites which its exact mass value is equals to given mass value 182.1114,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
(±)-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)
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.
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.
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/]")
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
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.
(±)-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.
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
(3S,8S)-(-)-4,6-decadiyne-1,3,8-triol|4,6-decadiyne-1,3,8-triol|4,6-Decadiyne-1,3,8-triol-(3S,8S)-form
Dec-9-insaeure-methylester|dec-9-ynoic acid methyl ester|methyl 9-decynoate|Methyl dec-9-ynoate|methyl decinoate|methyl-9-decynoate
(5R,9R)-3,9-epoxy-10-hydroxy-Delta4,11,7,8dihyronepeta-1-ol|jatamanin K
(1R,4R)-4-methoxy-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
4-hydroxy-6-pentylpyran-2-one
A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively.
guaiacyl propanol
Dihydroconiferyl alcohol is a member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. It has a role as a plant metabolite. It is a primary alcohol and a eugenol. Dihydroconiferyl alcohol is a natural product found in Euterpe oleracea, Broussonetia papyrifera, and other organisms with data available. See also: Acai fruit pulp (part of). A member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. 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].
Mephenesin
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.
(+/-)-cis-6-Hydroxy-1-Methylbicyclo[4.3.0]nonane-2,7-dione
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-(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
3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, (1R,5S)-
N-CYANO-N-[(TETRAHYDROFURAN-2-YL)METHYL]-N-METHYLGUANIDINE
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
(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE
3-(3,5-Dimethyl-pyrazol-1-yl)-2-methyl-propionic acid
methyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
2-Furancarboxylic acid,5-(1,1-dimethylethyl)-, methyl ester
3-Furancarboxylic acid, 5-ethyl-2-methyl-, ethyl ester
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid(SALTDATA: FREE)
Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1R，4S)-
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
1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
4-Cyano-2,2,5,5-tetramethyl-3-imidazoline-3-oxide-1-oxyl
(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)
Propylene oxide adduct of phenol, formaldehyde polymer
MELAMINE, N(sup 2),N(sup 2),N(sup 4),N(sup 4)-TETRAMETHYL-
Bjerkanderol A
Isolated from Foeniculum vulgare (fennel). erythro-Anethole glycol is found in herbs and spices and anise.
1H-Indene-1,5(4H)-dione, hexahydro-3a-hydroxy-7a-methyl-
(±)-erythro-Anethole glycol
Constituent of Illicium verum (Chinese star anise). (¬±)-erythro-Anethole glycol is found in fruits. Constituent of Illicium verum (Chinese star anise). (±)-erythro-Anethole glycol is found in fruits.
8-Hydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one
7-Deoxyloganetic aldehyde
A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a formyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
[(2R,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]azanium
(2,2,3-Trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde
3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
3-(3-hydroxyprop-1-en-1-yl)-5-propyl-5h-furan-2-one
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
5-[(1r,2z,4e)-1-hydroxyhexa-2,4-dien-1-yl]oxolan-2-one
6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohexa-2,5-dien-1-one
1-[(5s)-2-acetyl-5-hydroxycyclopent-1-en-1-yl]propan-1-one
(5r)-3-[(1e)-3-hydroxyprop-1-en-1-yl]-5-propyl-5h-furan-2-one
(1r,5s)-5-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
1-(4'-methoxyphenyl)-(1r,2r)-propanediol
{"Ingredient_id": "HBIN001513","Ingredient_name": "1-(4'-methoxyphenyl)-(1r,2r)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1r,2s)-propanediol
{"Ingredient_id": "HBIN001515","Ingredient_name": "1-(4'-methoxyphenyl)-(1r,2s)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14056","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1s,2r)-propanediol
{"Ingredient_id": "HBIN001517","Ingredient_name": "1-(4'-methoxyphenyl)-(1s,2r)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14057","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4'-methoxyphenyl)-(1s,2s)-propanediol
{"Ingredient_id": "HBIN001518","Ingredient_name": "1-(4'-methoxyphenyl)-(1s,2s)-propanediol","Alias": "NA","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14058","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-ethoxy-6-(methoxymethyl)phenol
{"Ingredient_id": "HBIN005594","Ingredient_name": "2-ethoxy-6-(methoxymethyl)phenol","Alias": "Methyl-(2-hydoxy-3-ethoxy-benzyl)ether","Ingredient_formula": "C10H14O3","Ingredient_Smile": "CCOC1=CC=CC(=C1O)COC","Ingredient_weight": "182.22 g/mol","OB_score": "31.23345299","CAS_id": "NA","SymMap_id": "SMIT11364","TCMID_id": "NA","TCMSP_id": "MOL010305","TCM_ID_id": "NA","PubChem_id": "586449","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"}
