Exact Mass: 168.0871888
Exact Mass Matches: 168.0871888
Found 340 metabolites which its exact mass value is equals to given mass value 168.0871888,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Veratrole_alcohol
(3,4-dimethoxyphenyl)methanol is a member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups. It has a role as a fungal metabolite. It is a member of benzyl alcohols, a primary alcohol and a dimethoxybenzene. 3,4-Dimethoxybenzyl alcohol is a natural product found in Croton lechleri and Cucurbita pepo with data available. A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups. Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2]. Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2].
Pyridoxamine
Pyridoxamine is one form of vitamin B6. Chemically it is based on a pyridine ring structure, with hydroxyl, methyl, aminomethyl, and hydroxymethyl substituents. It differs from pyridoxine by the substituent at the 4-position. The hydroxyl at position 3 and aminomethyl group at position 4 of its ring endow pyridoxamine with a variety of chemical properties, including the scavenging of free radical species and carbonyl species formed in sugar and lipid degradation and chelation of metal ions that catalyze Amadori reactions. Pyridoxamine, also known as PM, belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Within humans, pyridoxamine participates in a number of enzymatic reactions. In particular, pyridoxamine can be converted into pyridoxal; which is mediated by the enzyme pyridoxine-5-phosphate oxidase. In addition, pyridoxamine can be converted into pyridoxamine 5-phosphate; which is catalyzed by the enzyme pyridoxal kinase. Pyridoxamine also inhibits the formation of advanced lipoxidation endproducts during lipid peroxidation reactions by reaction with dicarbonyl intermediates. In humans, pyridoxamine is involved in vitamin B6 metabolism. Outside of the human body, pyridoxamine has been detected, but not quantified in several different foods, such as nutmegs, sparkleberries, fennels, turmerics, and swiss chards. Pyridoxamine inhibits the Maillard reaction and can block the formation of advanced glycation endproducts, which are associated with medical complications of diabetes. Pyridoxamine is hypothesized to trap intermediates in the formation of Amadori products released from glycated proteins, possibly preventing the breakdown of glycated proteins by disrupting the catalysis of this process through disruptive interactions with the metal ions crucial to the redox reaction. One research study found that pyridoxamine specifically reacts with the carbonyl group in Amadori products, but inhibition of post-Amadori reactions (that can lead to advanced glycation endproducts) is due in much greater part to the metal chelation effects of pyridoxamine. The 4-aminomethyl form of vitamin B6. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate. -- Pubchem; Pyridoxamine is one of the compounds that can be called vitamin B6, along with Pyridoxal and Pyridoxine. -- Wikipedia [HMDB]. Pyridoxamine is found in many foods, some of which are cucumber, fox grape, millet, and teff. Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins KEIO_ID P116 Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
2-Trimethylaminoethylphosphonic acid
A quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen.
Cyclo(deltaAla-L-Val)
A 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions 3 and 6 respectively.
(4-Hydroxy-3-methoxyphenyl)ethanol
(4-Hydroxy-3-methoxyphenyl)ethanol is a member of methoxybenzenes and a member of phenols. Homovanillyl alcohol is a natural product found in Saussurea medusa, Urtica dioica, and other organisms with data available. Homovanillyl alcohol is a metabolite found in or produced by Saccharomyces cerevisiae. Metabolite of serotonin and norepinephrine. (4-Hydroxy-3-methoxyphenyl)ethanol is isolated from various plant species (4-Hydroxy-3-methoxyphenyl)ethanol is a constituent of mandibular secretion of honeybees [CCD]. Isolated from various plant subspecies Constituent of mandibular secretion of honeybees [CCD] Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2]. Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2].
2,6-Dimethoxy-4-methylphenol
2,6-Dimethoxy-4-methylphenol is found in animal foods. 2,6-Dimethoxy-4-methylphenol is present in smoked fish and pork. 2,6-Dimethoxy-4-methylphenol is a flavouring ingredien Present in smoked fish and pork. Flavouring ingredient. 2,6-Dimethoxy-4-methylphenol is found in fishes and animal foods. 2,6-Dimethoxy-4-methylphenol is a member of methoxybenzenes and a member of phenols. 4-Methylsyringol is a natural product that can be isolated from hardwood[1]. 4-Methylsyringol is a natural product that can be isolated from hardwood[1].
1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene has been found to be a potential biomarker of flavonoid intake in human. Flavonoids are phytochemicals that are widespread in the human diet. Despite limitations in their bioavailability, experimental and epidemiological data suggest health benefits of flavonoid consumption. Valid biomarkers of flavonoid intake may be useful for estimating exposure in a range of settings. However, to date, few useful flavonoid biomarkers have been identified. A recent urine analysis suggested that urinary 4-ethylphenol, benzoic acid, and 4-ethylbenzoic acid may be potential biomarkers of quercetin intake and 1,3,5-trimethoxybenzene, 4-O-methylgallic acid, 3-O-methylgallic acid, and gallic acid may be potential markers of epigallocatechin gallate intake. Potential biomarkers of (-)-epicatechin were not identified. These urinary biomarkers may provide an accurate indication of flavonoid exposure (PMID: 19812218). 1,3,5-trimethoxybenzene is a methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans. It has a role as a biomarker and a human xenobiotic metabolite. 1,3,5-Trimethoxybenzene is a natural product found in Zieria chevalieri, Virola surinamensis, and other organisms with data available. A polyphenol metabolite detected in biological fluids [PhenolExplorer]. 1,3,5-Trimethoxybenzene is found in many foods, some of which are carob, coriander, plains prickly pear, and italian sweet red pepper. A methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics 1,3,5-Trimethoxybenzene is a key component of the Chinese rose odor. 1,3,5-Trimethoxybenzene is synthesized in three successive methylation steps from phloroglucinol, the initial precursor[1].
(E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne
(3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is found in fats and oils. (3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is found in fats and oils and herbs and spices.
4-Methylbiphenyl
4-Methylbiphenyl is found in cocoa and cocoa products. 4-Methylbiphenyl is present in cocoa. 4-Methylbiphenyl is a flavouring ingredien Present in cocoa. Flavouring ingredient. 4-Methylbiphenyl is found in cocoa and cocoa products. 4-Methylbiphenyl is an endogenous metabolite.
4-Ipomeanol
4-Ipomeanol is found in root vegetables. 4-Ipomeanol is produced on Fusarium solani and Ceratocystis fimbriata-damaged sweet potatoes (Ipomoea batatus C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product D000970 - Antineoplastic Agents C1907 - Drug, Natural Product
2,4,6,8-Tridecatetrayne
2,4,6,8-Tridecatetrayne is found in mushrooms. Metabolite of Fistulina hepatica (beefsteak fungus
1-Ipomeanol
1-Ipomeanol is found in root vegetables. 1-Ipomeanol is produced on Fusarium solani-infected sweet potatoes (Ipomoea batatus
Epoxyoxophorone
Epoxyoxophorone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Ethyl 2-furanpropionate
Ethyl 2-furanpropionate is found in alcoholic beverages. Ethyl 2-furanpropionate is present in rum. Ethyl 2-furanpropionate is a flavouring ingredient. Present in rum. Flavouring ingredient. Ethyl 2-furanpropionate is found in alcoholic beverages.
2-Furanylmethyl butanoate
2-Furanylmethyl butanoate is a flavouring ingredient. Flavouring ingredient
Hexamethylene diisocyanate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D004785 - Environmental Pollutants > D000393 - Air Pollutants
3E,5E,11E-Trideca-1,3,5,11-tetraene-7,9-diyne
3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne can be found in safflower, which makes 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne a potential biomarker for the consumption of this food product.
3E,5Z,11E-Trideca-1,3,5,11-tetraene-7,9-diyne
3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne can be found in safflower, which makes 3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne a potential biomarker for the consumption of this food product.
L,L-Cyclo(prolylalanyl)
Isolated from cocoa. L,L-Cyclo(prolylalanyl) is found in cocoa and cocoa products.
1,2,3-Trimethoxybenzene
1,2,3-trimethoxybenzene, also known as methylsyringol or pyrogallol trimethyl ether, 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-trimethoxybenzene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxybenzene can be found in tea, which makes 1,2,3-trimethoxybenzene a potential biomarker for the consumption of this food product. 1,2,3-Trimethoxybenzene is a member of the class of compounds known as anisoles. 1,2,3-Trimethoxybenzene can be found in tea, which makes 1,2,3-trimethoxybenzene a potential biomarker for the consumption of this food product.
3,4-Dimethoxybenzyl alcohol
Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2]. Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2].
1,3,5-Trimethoxybenzene
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics 1,3,5-Trimethoxybenzene is a key component of the Chinese rose odor. 1,3,5-Trimethoxybenzene is synthesized in three successive methylation steps from phloroglucinol, the initial precursor[1].
dimethoxyanisole
A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively. 1,2,3-Trimethoxybenzene is a member of the class of compounds known as anisoles. 1,2,3-Trimethoxybenzene can be found in tea, which makes 1,2,3-trimethoxybenzene a potential biomarker for the consumption of this food product.
1,7-(Epoxymethano)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyran-7-ol
(+-)-1,2,7-Trihydroxy-nona-3,5-diin|(2R,7S)-3,5-Nonadiyne-1,2,7-triol|(2R,7S)-nona-3,5-diyne-1,2,7-triol|1,2,7-Trihydroxy-nona-3,5-diin|3,5-Nonadiyne-1,2,7-triol|Non-3,5-diin-1,2,7-triol|nona-3,5-diyne-1,2,7-triol|Nona-4,6-diin-3,8,9-triol
(2E,4E)-2-((R)-1-hydroxy-2-oxo-propyl)-hexa-2,4-dienal|Avellaneol
1,2,3,4-Tetrahydropyrrolo<2,3-c>-5H-azepine-1,5-diol|1,2,3,4-Tetrahydropyrrolo[2,3-c]-5H-azepine-1,5-diol
3-methoxy-4-methyl-5-prop-1-enylfuran-2(5H)-one|Serpenone
6-ethyl-4-methoxy-3-methyl-2H-pyran-2-one|pestalotiopyrone C
(E)-N-[(E)-2-butenoyl]-2-butenoylhydrazide|N,N-Dicrotonoyl-hydrazin|N,N-dicrotonoyl-hydrazine
2-hydroxy-2,4-dimethyl-5-trans-propenyl-furan-3-one|4-methyl-oct-6t-ene-2,3,5-trione (Z)-4,5-enol 2->5-cyclohemiacetal
pyridoxamine
A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. D018977 - Micronutrients > D014815 - Vitamins Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
Pyridoxylamine
Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
Homovanillyl alcohol
Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2]. Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2].
4-Methylsyringol
4-Methylsyringol is a natural product that can be isolated from hardwood[1]. 4-Methylsyringol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6638-05-7 (retrieved 2024-08-21) (CAS RN: 6638-05-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
4-Ipomeanol
C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product D000970 - Antineoplastic Agents C1907 - Drug, Natural Product
1H-Imidazole-4-carboxylicacid,2-ethyl-5-methyl-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,2,5-dimethyl-,ethylester(9CI)
1H-Imidazole-2-carboxylicacid,1-methyl-,1-methylethylester(9CI)
1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)
Pyrrolo[1,2-c]pyrimidine-1,4-dione, hexahydro-2-methyl- (9CI)
Cyclohexanecarboxaldehyde, 4,4-dimethyl-2,6-dioxo-
1-(2,2,2-TRIFLUOROETHYL)PIPERAZINE
C6H11F3N2 (168.08742819999998)
1H-Imidazole-4-carboxylicacid,1-propyl-,methylester(9CI)
1H-Imidazole-1-aceticacid,α-methyl-,ethylester,(alphaS)-(9CI)
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
Spiro[1-azabicyclo[2.2.1]heptane-3,5-oxazolidin]-2-one (9CI)
1H-Imidazole-4-carboxylicacid,1-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxylicacid,2-ethyl-,ethylester(9CI)
1H-Imidazole-4-carboxylicacid,1,1-dimethylethylester(9CI)
1H-Imidazole-2-methanol,1-ethenyl-alpha-ethoxy-(9CI)
Propanamide, N-methyl-N-(5-methyl-4-isoxazolyl)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-methyl-, (S)- (9CI)
1H-Pyrrole-2-carboxylicacid,3-amino-4-methyl-,ethylester(9CI)
(1alpha,6alpha,7alpha)-2-Oxobicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
1H-Imidazole-4-carboxylic acid,2-(1,1-dimethylethyl)- (9CI)
2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-METHYL-4-OXO-, METHYL ESTER
1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
(3,3-DIMETHYL-6-OXOCYCLOHEX-1-EN-1-YL)BORONIC ACID
1H-1,4-Diazepine-2-carboxylicacid,2,3-dihydro-5,7-dimethyl-(9CI)
1H-Pyrazole-3-carboxylicacid,5-propyl-,methylester(9CI)
2-Cyclopenten-1-one, 2-acetyl-4-hydroxy-3,4-dimethyl- (9CI)
4-Isoxazolecarboxamide,5-methyl-N-(1-methylethyl)-(9CI)
1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D009676 - Noxae > D000963 - Antimetabolites D007155 - Immunologic Factors
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
3-(3-Oxo-cyclopent-1-enyl)-propionic acid methyl ester
93-03-8
Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2]. Veratryl alcohol (3,4-Dimethoxybenzenemethanol), a secondary metabolite of some lignin degrading fungi, is commonly used nonphenolic substrate for assaying ligninolytic activity[1][2].
2380-78-1
Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2]. Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease[1][2].
AI3-02077
1,2,3-Trimethoxybenzene is a member of the class of compounds known as anisoles. 1,2,3-Trimethoxybenzene can be found in tea, which makes 1,2,3-trimethoxybenzene a potential biomarker for the consumption of this food product.
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone
Hexamethylene diisocyanate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D004785 - Environmental Pollutants > D000393 - Air Pollutants
n-(1-hydroxybut-2-en-1-ylidene)but-2-enehydrazonic acid
(2r)-2-hydroxy-2,4-dimethyl-5-[(1e)-prop-1-en-1-yl]furan-3-one
1-hydroxy-8-methyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
[(3as,4s,6ar)-5-(hydroxymethyl)-3ah,4h,6ah-cyclopenta[b]furan-4-yl]methanol
2-hydroxy-2,4-dimethyl-5-[(1e)-prop-1-en-1-yl]furan-3-one
[5-(hydroxymethyl)-3ah,4h,6ah-cyclopenta[b]furan-4-yl]methanol
1-(2-propenyl)-naphthalene
{"Ingredient_id": "HBIN000965","Ingredient_name": "1-(2-propenyl)-naphthalene","Alias": "NA","Ingredient_formula": "C13H12","Ingredient_Smile": "C=CCC1=CC=CC2=CC=CC=C21","Ingredient_weight": "168.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34142","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "17217","DrugBank_id": "NA"}
2,5-dihydroxybenzyl alcohol,8ci; 2-et ether
{"Ingredient_id": "HBIN004633","Ingredient_name": "2,5-dihydroxybenzyl alcohol,8ci; 2-et ether","Alias": "NA","Ingredient_formula": "C9H12O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8854","PubChem_id": "NA","DrugBank_id": "NA"}
(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one
{"Ingredient_id": "HBIN010231","Ingredient_name": "(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one","Alias": "(4aR,7aS)-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one","Ingredient_formula": "C9H12O3","Ingredient_Smile": "NA","Ingredient_weight": "168.19","OB_score": "82.28297774","CAS_id": "170384-80-2","SymMap_id": "SMIT10673","TCMID_id": "NA","TCMSP_id": "MOL009556","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}