Exact Mass: 168.0699
Exact Mass Matches: 168.0699
Found 311 metabolites which its exact mass value is equals to given mass value 168.0699,
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].
beta-Carboline
beta-Carboline, also known as norharmane, is an organic amine and is the prototype of a class of compounds known as beta-carbolines. beta-Carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. beta-Carboline is a very strong basic compound (based on its pKa). beta-Carboline alkaloids are widely distributed in plants and animals and many are inverse agonists of the GABA-A receptor complex (PMID: 17334612). Other biological activities demonstrated by these compounds include intercalation; inhibition of CDK, topoisomerase, and monoamine oxidase; and interaction with 5-hydroxy serotonin receptors. These compounds have also exhibited sedative, anxiolytic, hypnotic, anticonvulsant, antitumor, antiviral, antiparasitic, and antimicrobial activities (PMID: 17305548). b-Carboline (9H-pyrido[3,4-b]indole) is an organic amine that is the prototype of a class of compounds known as b-carbolines. [HMDB]. Norharman is found in chicory. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 75 CONFIDENCE standard compound; INTERNAL_ID 2883 D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
2-Trimethylaminoethylphosphonic acid
A quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen.
N-Cyclopropylammelide
A dihydroxy-1,3,5-triazine consisting of ammelide bearing an N-cyclohexyl substituent.
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
D009676 - Noxae > D000477 - Alkylating Agents
(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].
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
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
3-Methyl-(triazen-1-yl)imidazole-4-carboxamide
(Methyl-triazene-1-yl)-imidazole-4-carboxamide
2-Methylthio-3-isopropylpyrazine
2-methylthio-3-isopropylpyrazine is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthio-3-isopropylpyrazine is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylthio-3-isopropylpyrazine can be found in fenugreek, which makes 2-methylthio-3-isopropylpyrazine a potential biomarker for the consumption of this food product.
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
3-methoxy-4-methyl-5-prop-1-enylfuran-2(5H)-one|Serpenone
6-ethyl-4-methoxy-3-methyl-2H-pyran-2-one|pestalotiopyrone C
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
Norharmane
D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens IPB_RECORD: 2981; CONFIDENCE confident structure Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
Norharman
D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens Annotation level-1 Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
5-Carboline
CONFIDENCE standard compound; INTERNAL_ID 2881 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 71
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
6-Methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine
5-CHLORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
Cyclohexanecarboxaldehyde, 4,4-dimethyl-2,6-dioxo-
H-D-Orn-OH·HCl
D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite.
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-amine
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanamine
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
(1alpha,6alpha,7alpha)-2-Oxobicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-METHYL-4-OXO-, METHYL ESTER
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
2-Cyclopenten-1-one, 2-acetyl-4-hydroxy-3,4-dimethyl- (9CI)
L-Ornithine hydrochloride
L-Ornithine hydrochloride is a non-proteinogenic amino acid, is mainly used in urea cycle removing excess nitrogen in vivo. L-Ornithine hydrochloride shows nephroprotective[1][2].
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].
Ornithine
A non-essential and nonprotein amino acid, ornithine is critical for the production of the bodys proteins, enzymes and muscle tissue. Ornithine plays a central role in the urea cycle and is important for the disposal of excess nitrogen (ammonia). Ornithine is the starting point for the synthesis of many polyamines such as putrescine and spermine. Ornithine supplements are claimed to enhance the release of growth hormone and to burn excess body fat. Ornithine is necessary for proper immune function and good liver function.; AF112968; L-Ornithine is one of the products of the action of the enzyme arginase on L-arginine, creating urea. Therefore, ornithine is a central part of the urea cycle, which allows for the disposal of excess nitrogen. Ornithine is recycled and in a manner is a catalyst. First, ammonia is converted into carbamoyl phosphate (phosphate-CONH2), which creates one half of urea. Ornithine is converted into a urea derivative at the ? (terminal) nitrogen by carbamoyl phosphate. Another nitrogen is added from aspartate, producing the denitrogenated fumarate, and the resulting arginine (a guanidinium compound) is hydrolysed back to ornithine, producing urea. The nitrogens of urea come from the ammonia and aspartate, and the nitrogen in ornithine remains intact.; ORNT1). Mutations in the mitochondrial ornithine transporter result in hyperammonemia, hyperornithinemia, homocitrullinuria (HHH) syndrome, a disorder of the urea cycle. (PMID 16256388) The pathophysiology of the disease may involve diminished ornithine transport into mitochondria, resulting in ornithine accumulation in the cytoplasm and reduced ability to clear carbamoyl phosphate and ammonia loads. (OMIM 838970); Ornithine is an amino acid produced in the urea cycle by the splitting off of urea from arginine. It is a central part of the urea cycle, which allows for the disposal of excess nitrogen. L-Ornithine is also a precursor of citrulline and arginine. In order for ornithine produced in the cytosol to be converted to citrulline, it must first cross the inner mitochondrial membrane into the mitochondrial matrix where it is carbamylated by ornithine transcarbamylase. This transfer is mediated by the mitochondrial ornithine transporter (SLC25A15; Ornithine is an amino acid which plays a role in the urea cycle. Ornithine is found in many foods, some of which are soft-necked garlic, orange bell pepper, sunburst squash (pattypan squash), and cucumber. L-Ornithine hydrochloride is a non-proteinogenic amino acid, is mainly used in urea cycle removing excess nitrogen in vivo. L-Ornithine hydrochloride shows nephroprotective[1][2].
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone
Pyridoxal(1+)
A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-[(Z)-2-isocyanovinyl]indole
A 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has Z (cis-) configuration. An antibacterial agent isolated from a species of Pseudomonas.
beta-Carboline
The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.
D-Ornithine hydrochloride
D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16682-12-5 (retrieved 2024-08-19) (CAS RN: 16682-12-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(2r)-2-hydroxy-2,4-dimethyl-5-[(1e)-prop-1-en-1-yl]furan-3-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
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"}
