Exact Mass: 208.0946836
Exact Mass Matches: 208.0946836
Found 500 metabolites which its exact mass value is equals to given mass value 208.0946836,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
trans-Isoasarone
Alpha-asarone is the trans-isomer of asarone. It has a role as an anticonvulsant and a GABA modulator. alpha-Asarone is a natural product found in Sphallerocarpus gracilis, Asarum hypogynum, and other organisms with data available. trans-Isoasarone is found in carrot. trans-Isoasarone is a constituent of Asarum species and carrot seed (Daucus carota) (CCD) Constituent of Asarum subspecies and carrot seed (Daucus carota) (CCD). trans-Isoasarone is found in wild carrot and carrot. D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D009676 - Noxae > D002273 - Carcinogens D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents The trans-isomer of asarone. alpha-Asarone (α-Asarone) is one of the main psychoactive compounds, and possesses an antidepressant-like activity in mice. alpha-Asarone (α-Asarone) is one of the main psychoactive compounds, and possesses an antidepressant-like activity in mice. alpha-Asarone (α-Asarone) is one of the main psychoactive compounds, and possesses an antidepressant-like activity in mice. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1]. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1].
gamma-Asarone
2,4,5-Trimethoxy-1-allylbenzene is a benzenetriol. gamma-Asarone is a natural product found in Blumea mollis, Asarum yakusimense, and other organisms with data available. gamma-Asarone is found in herbs and spices. gamma-Asarone is a constituent of Acorus calamus (sweet flag) D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D009676 - Noxae > D002273 - Carcinogens D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
Chalcone
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of styrenes and a member of chalcones. Chalcone is a natural product found in Tilia tomentosa, Alpinia hainanensis, and other organisms with data available. An aromatic KETONE that forms the core molecule of CHALCONES. A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. trans-Chalcone, isolated from Aronia melanocarpa skin, is a biphenolic core structure of flavonoids precursor. trans-Chalcone is a potent fatty acid synthase (FAS) and α-amylase inhibitor. trans-Chalcone causes cellcycle arrest and induces apoptosis in the breastcancer cell line MCF-7. trans-Chalcone has antifungal and anticancer activity[1][2][3]. trans-Chalcone, isolated from Aronia melanocarpa skin, is a biphenolic core structure of flavonoids precursor. trans-Chalcone is a potent fatty acid synthase (FAS) and α-amylase inhibitor. trans-Chalcone causes cellcycle arrest and induces apoptosis in the breastcancer cell line MCF-7. trans-Chalcone has antifungal and anticancer activity[1][2][3]. trans-Chalcone, isolated from Aronia melanocarpa skin, is a biphenolic core structure of flavonoids precursor. trans-Chalcone is a potent fatty acid synthase (FAS) and α-amylase inhibitor. trans-Chalcone causes cellcycle arrest and induces apoptosis in the breastcancer cell line MCF-7. trans-Chalcone has antifungal and anticancer activity[1][2][3].
L-Kynurenine
Kynurenine is a metabolite of the amino acid tryptophan used in the production of niacin. L-Kynurenine is a central compound of the tryptophan metabolism pathway since it can change into the neuroprotective agent kynurenic acid or to the neurotoxic agent quinolinic acid. The break-up of these endogenous compounds balance can be observable in many disorders such as stroke, epilepsy, multiple sclerosis, and amyotrophic lateral sclerosis. It can also occur in neurodegenerative disorders such as Parkinsons disease, Huntingtons, and Alzheimers disease; and in mental disorders such as schizophrenia and depression. Kynurenine is a metabolite of the amino acid tryptophan used in the production of niacin. [Raw Data] CBA10_Kynurenine_pos_10eV_1-2_01_666.txt [Raw Data] CBA10_Kynurenine_pos_30eV_1-2_01_668.txt [Raw Data] CBA10_Kynurenine_pos_40eV_1-2_01_669.txt [Raw Data] CBA10_Kynurenine_pos_20eV_1-2_01_667.txt [Raw Data] CBA10_Kynurenine_pos_50eV_1-2_01_670.txt L-Kynurenine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2922-83-0 (retrieved 2024-07-01) (CAS RN: 2922-83-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
Primin
Primin is a 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position. It has a role as a hapten, a metabolite, an antimicrobial agent, an antifeedant and an allergen. Primin is a natural product found in Miconia eriodonta, Cophinforma mamane, and other organisms with data available. See also: Primula veris flower (part of). A 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position. Primin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=15121-94-5 (retrieved 2024-06-29) (CAS RN: 15121-94-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group and a phenyl group. Formyl-5-hydroxykynurenamine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Formyl-5-hydroxykynurenamine can be biosynthesized from serotonin; which is mediated by the enzyme indoleamine 2,3-dioxygenase 1 [EC 1.13.11.52]. In humans, formyl-5-hydroxykynurenamine is involved in the tryptophan metabolism pathway. Formyl-5-hydroxykynurenamine is found in the tryptophan metabolism pathway. It is produced from serotonin through the action of indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB]
trans-Isoasarone
Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1]. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1].
Elemicin
Elemicin is an olefinic compound. Elemicin is a natural product found in Anemopsis californica, Asarum celsum, and other organisms with data available. Constituent of Elemi oil and Myristica fragrans (nutmeg). Elemicin is found in many foods, some of which are nutmeg, carrot, parsley, and tarragon. Elemicin is found in carrot. Elemicin is a constituent of Elemi oil and Myristica fragrans (nutmeg). Elemicin is an orally active alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin has anti-influenza activities, antimicrobial, antioxidant, and antiviral activities. Elemicin and its reactive metabolite of 1′-Hydroxyelemicin can induce hepatotoxicity[1][2][3][4]. Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1].
1-Methoxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Isoelemicin
Isoelemicin is found in herbs and spices. Isoelemicin is a constituent of oil of nutmeg Constituent of oil of nutmeg. Isoelemicin is found in ucuhuba and herbs and spices.
Chalcone
Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are known collectively as chalcones. They show antibacterial, antifungal, antitumor and anti-inflammatory properties. They are also intermediates in the biosynthesis of flavonoids, which are substances widespread in plants and with an array of biological activities. Chalcones are also intermediates in the Auwers synthesis of flavones.Chalcones can be prepared by an aldol condensation between a benzaldehyde and an acetophenone in the presence of sodium hydroxide as a catalyst. This reaction has been found to work in without any solvent at all - a solid-state reaction. The reaction between substituted benzaldehydes and acetophenones has been used to demonstrate green chemistry in undergraduate chemistry education. In a study investigating green chemistry synthesis, chalcones were also synthesized from the same starting materials in high temperature water (200 to 350 degree centigrade). Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are known collectively as chalcones. They show antibacterial, antifungal, antitumor and anti-inflammatory properties. They are also intermediates in the biosynthesis of flavonoids, which are substances widespread in plants and with an array of biological activities. Chalcones are also intermediates in the Auwers synthesis of flavones.Chalcones can be prepared by an aldol condensation between a benzaldehyde and an acetophenone in the presence of sodium hydroxide as a catalyst. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1].
D-Kynurenine
Kynurenine, also known as 3-anthraniloylalanine, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Kynurenine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Kynurenine can be found in a number of food items such as yellow zucchini, carrot, spinach, and broccoli, which makes kynurenine a potential biomarker for the consumption of these food products. Kynurenine is synthesized by the enzyme tryptophan dioxygenase, which is made primarily but not exclusively in the liver, and indoleamine 2,3-dioxygenase, which is made in many tissues in response to immune activation. Kynurenine and its further breakdown products carry out diverse biological functions, including dilating blood vessels during inflammation and regulating the immune response. Some cancers increase kynurenine production, which increases tumor growth . 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite.
Dambonitol
Latex used for manufacture of chewing gum. Latex used for manuf. of chewing gum.
3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol
3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol is a mycotoxin produced by Penicillium corylophilum and Penicillium steckii. It is isolated from P. steckii infected millet hay. Mycotoxin production by Penicillium corylophilum and Penicillium steckii. Isolated from P. steckii infected millet hay
Ethyl alpha-glucopyranoside
Ethyl beta-D-glucopyranoside is a constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava), and other plant subspecies. Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits. Constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava) and other plant subspecies Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits.
Jasmine ketolactone
Jasmine ketolactone is found in herbs and spices. Jasmine ketolactone is a constituent of Italian jasmine oil (Jasminum grandiflorum)
(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid
(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid is found in pulses. (Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid is a constituent of Vicia faba
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol is found in mushrooms. 3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol is isolated from mushroom Lentinus crinitus. Isolated from mushroom Lentinus crinitus. 3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol is found in mushrooms.
5-Deoxydiplosporin
5-Deoxydiplosporin is a mycotoxin produced by Diplodia macrospora isolated from infected maiz
4-Methoxybenzyl butanoate
4-Methoxybenzyl butanoate is a flavouring agent Flavouring agent
Amyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Amyl salicylate is a flavouring agent. Flavouring agent
2-Phenoxyethyl isobutyrate
2-Phenoxyethyl isobutyrate is a flavouring ingredient. Flavouring ingredient
Isoamyl salicylate
Isoamyl salicylate is found in alcoholic beverages. Isoamyl salicylate is isolated from fruit aromas. Also present in rum and black tea. Isoamyl salicylate is a flavouring agent. Isolated from fruit aromasand is) also present in rum and black tea. Flavouring agent. Isoamyl salicylate is found in tea, alcoholic beverages, and fruits. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-Aminobenzoyl-(beta)-alanine
4-Aminobenzoyl-(beta)-alanine is a metabolite of balsalazide. Balsalazide is an anti-inflammatory drug used in the treatment of inflammatory bowel disease. It is sold under the name Colazal in the US and Colazide in the UK. It is also sold in generic form in the US by several generic manufacturers. It is usually administered as the disodium salt. Balsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. (Wikipedia)
Ethyl glucoside
Constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava) and other plant subspecies Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits.
1,2,4-Trimethoxy-5-propenylbenzene
Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1]. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1].
Allobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Neocuproine
D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents
2',6'-O-Diacetyloninin
2,6-o-diacetyloninin belongs to pteridines and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. 2,6-o-diacetyloninin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,6-o-diacetyloninin can be found in soy bean, which makes 2,6-o-diacetyloninin a potential biomarker for the consumption of this food product.
(+)-8-Acetoxycarvone
(+)-8-acetoxycarvone 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 (+)-8-acetoxycarvone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-8-acetoxycarvone can be found in cornmint, which makes (+)-8-acetoxycarvone a potential biomarker for the consumption of this food product.
Ethyl beta-D-fructofuranoside
Ethyl beta-d-fructofuranoside is a member of the class of compounds known as C-glycosyl compounds. C-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Ethyl beta-d-fructofuranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl beta-d-fructofuranoside can be found in common wheat, which makes ethyl beta-d-fructofuranoside a potential biomarker for the consumption of this food product.
Kynurenine
L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
Eleutheroside C
Eleutheroside C is a natural product found in Justicia adhatoda, Rubus niveus, and Agave amica with data available.
asarone
A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. Asarone is a phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. It has a role as a plant metabolite. It is a phenylpropanoid, a member of methoxybenzenes and an alkenylbenzene. beta-Asarone is a natural product found in Asarum hypogynum, Carpesium abrotanoides, and other organisms with data available. See also: Acorus calamus root (part of). D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D009676 - Noxae > D002273 - Carcinogens D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents The cis-isomer of asarone. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1]. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1].
1,3-Cyclopentanedione, 2-(dihydro-5-propyl-2(3H)-furanylidene)-
5,5-Diallylbarbituric acid
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Neocuproine
D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents Annotation level-1
3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)propanoic acid
D-gluco-3,4,5-Trihydroxy-2,6-dimethoxy-hexanal|O2,O6-dimethyl-D-glucose
3-(Hydroxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
3,6-Anhydro-L-galactose-dimethylacetal|3,6-Anhydro-L-galaktose-dimethylacetal
2,3-Di-O-methyl-D-mannopyranose|2,3-di-O-methyl-D-mannose|2,3-di-O-methylmannopyranose|O2,O3-dimethyl-D-mannose
2-sec-Butyl-4,6-dihydroxy-3-methyl-benzaldehyd|2-sec-butyl-4,6-dihydroxy-3-methyl-benzaldehyde
4beta-hydroxy-11,12,13-trinor-5-eudesmen-1,7-dione
(S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)-butan-2-one
(1Z,3E,5R,6R)-5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one|(6R,5R)-6-<(1Z,3E)-5-hydroxy-1,3-heptadienyl>-5,6-dihydro-2H-pyran-2-one
2,3-di-O-methyl-D-glucose|2.3-Di-O-methyl-beta-D-glucose|2.3-Di-O-methyl-D-glucose|2.3-Dimethyl-d-glucose|D-gluco-4,5,6-Trihydroxy-2,3-dimethoxy-hexanal|O2,O3-dimethyl-D-glucose
(E)-4-methoxy-3-methyl-6-(pent-2-en-2-yl)-2H-pyran-2-one|aplysiopsene A
(3R)-3r,4t,5-Trimethyl-isochroman-6,8-diol|decarboxydihydrocitrinin
(E)-2-(hydroxymethyl)-3-(2-hydroxypent-3-enyl)phenol
(S,E)-3-ethyl-6-(4-hydroxypent-2-en-2-yl)-2H-pyran-2-one|nocapyrone G
(3aR,6aS)-5,6-dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione|suberosanone A
(2,4-dihydroxy-6-methylphenyl) (2-methylpropyl) ketone
D-galacto-3,5,6-Trihydroxy-2,4-dimethoxy-hexanal|O2,O4-dimethyl-D-galactose
1alpha,2alpha,4alpha-4-ethoxy-1,2,3,4-tetrahydronaphthalene-1,2-diol
(4aS,5S,8R)-5,6,7,8-tetrahydro-3,8-dihydroxy-4a,5-dimethylnaphthalen-2(4aH)-one
Kynurenine
A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.061 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.060 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
L-Kynurenine
A kynurenine that has L configuration. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YGPSJZOEDVAXAB-QMMMGPOBSA-N_STSL_0006_L-Kynurenine_2000fmol_180416_S2_LC02_MS02_52; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-
(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid
Amyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Trefol
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Thiourea,N-(1-methylethyl)-N-(3-methylphenyl)-
C11H16N2S (208.10341359999998)
ETHYL 4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
Thiourea,N-(2,3-dimethylphenyl)-N-ethyl-
C11H16N2S (208.10341359999998)
Pikamilone
Picamilon is an orally active derivative of γ-aminobutyric acid that has nootropic effect. Picamilon improves the epilepsy model in rats and promotes correction of functional disorders of the pancreas during Alloxan (HY-W017227)-induced diabetes mellitus in rats[1][2][3].
4-(1,3-dioxolan-2-yl)-N-hydroxybenzenecarboximidamide
1-(2-ETHYL-PHENYL)-PYRROLE-2,5-DIONE
C11H13FN2O (208.10118599999998)
(2S,3R)-3AMINO-4-CYCLOBUTYL-2-HYDROXYBUTANAMIDE HYDROCHLORIDE
2-Amino-1-hydroxy cyclobutanebutanamide hydrochloride
bendazol
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D007155 - Immunologic Factors > D007369 - Interferon Inducers D002491 - Central Nervous System Agents
(3-Formyl-5-isopropoxyphenyl)boronic acid
C10H13BO4 (208.09068480000002)
(3-FORMYL-4-ISOPROPOXYPHENYL)BORONIC ACID
C10H13BO4 (208.09068480000002)
Urea,1-ethyl-1-(p-ethylphenyl)-2-thio- (4CI)
C11H16N2S (208.10341359999998)
[4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid
C10H13BO4 (208.09068480000002)
(3-Fluoro-phenyl)-piperazin-1-yl-methanone
C11H13FN2O (208.10118599999998)
2-HYDROXY-5,6,7,8-TETRAHYDRO-[1,6]NAPHTHYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
4-ethoxycarbonylmethylphenylboronic acid
C10H13BO4 (208.09068480000002)
(4-Fluorophenyl)(1-piperazinyl)methanone
C11H13FN2O (208.10118599999998)
Ethyl 3-(bicyclo[2.2.1]hept-5-en-2-yl)-3-oxopropanoate
2-(3-Methoxy-phenyl)-2-Methyl-propionic acid Methyl ester
4-(2-METHOXYCARBONYLETHYL)PHENYLBORONIC ACID
C10H13BO4 (208.09068480000002)
METHYL 3-(3-BORONOPHENYL)PROPIONATE
C10H13BO4 (208.09068480000002)
1-(2-HYDROXY-ETHOXYMETHYL)-5-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE
(2S,5R)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
1-Acetyl-4-(2-hydroxy-ethyl)piperazine hydrochloride
8a-(Trifluoromethyl)hexahydropyrrolo[1,2-a]pyrimidin-6(7H)-one
C8H11F3N2O (208.08234319999997)
2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,2,3-dihydro-3-(hydroxymethyl)-8-methyl-, (2R,3R,5R)-
2-(4-(2-hydroxyethyl)phenyl)-2-methylpropanoic acid
(S)-3-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-2-METHYL-PROPIONICACID
(6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-ACETIC ACID
[4-(Propoxycarbonyl)phenyl]boronic acid
C10H13BO4 (208.09068480000002)
(3-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID
C10H13BO4 (208.09068480000002)
5-fluoro-3-((trimethylsilyl)ethynyl)pyridin-2-amine
C10H13FN2Si (208.08319899999998)
tert-Butyl 3-aminoazetidine-1-carboxylate hydrochloride
(3-Formyl-5-propoxyphenyl)boronic acid
C10H13BO4 (208.09068480000002)
ETHYL5-OXO-1,2,3,5-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLATE
[4-(Isopropoxycarbonyl)phenyl]boronic acid
C10H13BO4 (208.09068480000002)
3-Isopropoxycarbonylphenylboronic acid
C10H13BO4 (208.09068480000002)
3-fluoro-2-(1-piperazino)-benzaldehyde
C11H13FN2O (208.10118599999998)
(2S-CIS)-3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
2-(4-DIMETHYLAMINOPHENYL)THIAZOLIDINE
C11H16N2S (208.10341359999998)
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Pyrrolo[3,4-b]pyrrole, octahydro-1-(trifluoroacetyl)- (9CI)
C8H11F3N2O (208.08234319999997)
Thiourea, N-(2,5-dimethylphenyl)-N-ethyl- (9CI)
C11H16N2S (208.10341359999998)
Thiourea,N-(2-methylpropyl)-N-phenyl-
C11H16N2S (208.10341359999998)
4-Fluorophenylboronic acid, neopentyl ester
C11H14BFO2 (208.10708260000004)
5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)furan-2-carbaldehyde
C10H13BO4 (208.09068480000002)
Boronic acid,[4-(1,3-dioxan-2-yl)phenyl]-(9CI)
C10H13BO4 (208.09068480000002)
D-kynurenine
A kynurenine that has D configuration. D-kynurenine, a metabolite of D-tryptophan, can serve as the bioprecursor of kynurenic acid (KYNA) and 3-hydroxykynurenine. D-Kynurenine is an agonist for G protein-coupled receptor, GPR109B. D-Kynurenine is a substrate in a fluorometric assay of D-amino acid oxidase. D-kynurenine promotes epithelial-to-mesenchymal transition via activating aryl hydrocarbon receptor (AHR)[1][2][3][4].
3-(4-HYDROXYMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
1-(2-METHYLAMINOPROPYL)-2-PHENYLADAMANTANEHYDROCHLORIDE
C11H16N2S (208.10341359999998)
(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanamide hydrochloride
3-(2-METHYL-1,3-DIOXOLAN-2-YL)PHENYLBORONIC ACID
C10H13BO4 (208.09068480000002)
2-(2-Methyl-1,3-dioxolan-2-yl)phenylboronic acid
C10H13BO4 (208.09068480000002)
3-(Propoxycarbonyl)Phenylboronic Acid
C10H13BO4 (208.09068480000002)
2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
C11H14BFO2 (208.10708260000004)
(2-ethoxy-3-formyl-5-methylphenyl)boronic acid
C10H13BO4 (208.09068480000002)
2-Butyl-5,6-dihydro-1H-imidazo[4,5-D]pyridazine-4,7-dione
1-(4-Trimethylsilyloxyphenyl)ethanone
C11H16O2Si (208.09195160000002)
2-(2-Hydroxyethyl)-2-methyl-3,4-dihydro-2H-1-benzopyran-6-ol
3-Carboxymethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Acetophenone, 3-(trimethylsiloxy)-
C11H16O2Si (208.09195160000002)
3,4-Dihydro-5-hydroxy-2-methyl-2H-1-benzopyran-2-ethanol
[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Elemicin
Elemicin is an orally active alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin has anti-influenza activities, antimicrobial, antioxidant, and antiviral activities. Elemicin and its reactive metabolite of 1′-Hydroxyelemicin can induce hepatotoxicity[1][2][3][4]. Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1].
Asaron
D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D009676 - Noxae > D002273 - Carcinogens D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1]. Beta-asarone is a major ingredient of Acorus tatarinowii Schott, penetrates blood brain barrier, with the properties of immunosuppression, central nervous system inhibition, sedation, and hypothermy. Beta-asarone protects against Parkinson’s disease[1].
5353-15-1
D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D009676 - Noxae > D002273 - Carcinogens D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
Octylsulfamate
An organic sulfamate oxoanion that is the conjugate base of octylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol
A natural product found in Pestalotiopsis virgatula.
Formyl-5-hydroxykynurenamine
A hydroxykynurenamine that is 5-hydroxykynurenamine with the hydrogen on the aryl amine replaced by a formyl group.
isoamyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
L-kynurenine zwitterion
Zwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Ethyl-p-methoxyhydrocinnamate
Ethyl-p-methoxyhydrocinnamate is a phenolic compound that can be isolated from the edible rhizomes of Erythrina variegate[1].