Exact Mass: 208.145
Exact Mass Matches: 208.145
Found 500 metabolites which its exact mass value is equals to given mass value 208.145,
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
Pilocarpine
Pilocarpine is only found in individuals that have used or taken this drug. It is a slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. [PubChem]Pilocarpine is a cholinergic parasympathomimetic agent. It increase secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2265 Pilocarpine is a selective M3-type muscarinic acetylcholine receptor (M3 muscarinic receptor) agonist.
Aminocarb
CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3190; ORIGINAL_PRECURSOR_SCAN_NO 3188 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3698; ORIGINAL_PRECURSOR_SCAN_NO 3696 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3181; ORIGINAL_PRECURSOR_SCAN_NO 3177 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3692; ORIGINAL_PRECURSOR_SCAN_NO 3690 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3193; ORIGINAL_PRECURSOR_SCAN_NO 3192 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3182; ORIGINAL_PRECURSOR_SCAN_NO 3180 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3706; ORIGINAL_PRECURSOR_SCAN_NO 3704 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3178; ORIGINAL_PRECURSOR_SCAN_NO 3176 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3676; ORIGINAL_PRECURSOR_SCAN_NO 3673 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3212; ORIGINAL_PRECURSOR_SCAN_NO 3210 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3701; ORIGINAL_PRECURSOR_SCAN_NO 3699 CONFIDENCE standard compound; INTERNAL_ID 666; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3672; ORIGINAL_PRECURSOR_SCAN_NO 3670 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
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).
Ammodendrine
A piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer). relative retention time with respect to 9-anthracene Carboxylic Acid is 0.321 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.317
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].
1,2-Diphenylcyclobutane
1,2-Diphenylcyclobutane is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin Styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heating
2,4-Diphenyl-1-butene
2,4-Diphenyl-1-butene is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin
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.
3-Hydroxy-beta-ionone
3-Hydroxy-beta-ionone (CAS: 116296-75-4), also known as apo-9-zeaxanthinone (CAS: 50281-38-4), belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-Hydroxy-beta-ionone has been detected, but not quantified in, several different foods, such as green bell peppers, red bell peppers, pepper (C. annuum), Italian sweet red peppers, and orange bell peppers. This could make 3-hydroxy-beta-ionone a potential biomarker for the consumption of these foods. 3-Hydroxy-beta-ionone is found in pulses. 3-Hydroxy-beta-ionone is isolated from Phaseolus vulgaris (kidney bean). Apo-9-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-9-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-9-zeaxanthinone can be found in a number of food items such as red bell pepper, yellow bell pepper, green bell pepper, and pepper (c. annuum), which makes apo-9-zeaxanthinone a potential biomarker for the consumption of these food products.
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
(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one
(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is a constituent of cigar tobacco, isolated by gas liquid chromatography (GLC) [CCD]. Constituent of cigar tobacco, isol. by glc [CCD]. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one is found in garden tomato. (5R,6S)-5,6-Epoxy-7-megastigmen-9-one is a constituent of tomatoes and carrots
Jasmine ketolactone
Jasmine ketolactone is found in herbs and spices. Jasmine ketolactone is a constituent of Italian jasmine oil (Jasminum grandiflorum)
Theaspirone A
(6S,9S)-Theaspirone is found in fruits. (6S,9S)-Theaspirone is a constituent of quince fruit.
5,9:6,9-Diepoxy-3-megastigmene
5,9:6,9-Diepoxy-3-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-3-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy and Riesling wine.
Eremopetasinorol
Eremopetasinorol is found in green vegetables. Eremopetasinorol is a constituent of Petasites japonicus (sweet coltsfoot)
5,9:6,9-Diepoxy-4-megastigmene
5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-4-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy. Constituent of quince fruit (Cydonia oblonga) brandy. 5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages.
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits. (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is a constituent of Passiflora edulis (passion fruit) Constituent of Passiflora edulis (passion fruit). (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits.
(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
(S,E)-Lyratol propanoate
(S,E)-Lyratol propanoate is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort).
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.
5S,6S-epoxy-15R-hydroxy-ETE
5S,6S-epoxy-15R-hydroxy-ETE is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). 5S,6S-epoxy-15R-hydroxy-ETE is considered to be soluble (in water) and relatively neutral
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in fruits. 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is from quince (Cydonia oblonga). From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits.
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
Carvyl propionate
Carvyl propionate is a flavouring ingredient with a sweet, fruity, minty taste. Flavouring ingredient with a sweet, fruity, minty taste
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
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is a constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. Constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages and fruits.
Descarbonyl-lacosamide
Descarbonyl-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-
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].
4,5-Dihydro-8,9-dehydrotheaspirone
4,5-dihydro-8,9-dehydrotheaspirone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,5-dihydro-8,9-dehydrotheaspirone can be found in sunflower, which makes 4,5-dihydro-8,9-dehydrotheaspirone 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.
3-Oxo-alpha-ionol
3-oxo-alpha-ionol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3-oxo-alpha-ionol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-oxo-alpha-ionol is a spice tasting compound found in common grape, which makes 3-oxo-alpha-ionol a potential biomarker for the consumption of this food product. 3-oxo-alpha-ionol may be a unique S.cerevisiae (yeast) metabolite.
5-Megastigmen-7-yne-3,9-diol
5-megastigmen-7-yne-3,9-diol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 5-megastigmen-7-yne-3,9-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-megastigmen-7-yne-3,9-diol can be found in common grape, which makes 5-megastigmen-7-yne-3,9-diol a potential biomarker for the consumption of this food product.
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)-
trans-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan
cis-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan
3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)propanoic acid
3-(Hydroxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
2,5,5,8a-tetramethyl-3,4,4a,5-tetrahydro-2H,8aH-chromen-8-one
(E,E)-1,6,8-Hexadecatriene-10,12,14-triyne|1,6,8-Hexadecatriene-10,12,14-triyne|1,6E,8E-hexadecatrien-10,12,14-triine|hexadeca-1,6t,8t-triene-10,12,14-triyne|Hexadeca-8,10,15-trien-2,4,6-triin
2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
2-sec-Butyl-4,6-dihydroxy-3-methyl-benzaldehyd|2-sec-butyl-4,6-dihydroxy-3-methyl-benzaldehyde
(3(a)alpha)-2,2,5,5,7-pentamethyl-1,2,3,3a,4,5-hexahydro-6H-pyrrolo[3,2-b]pyridin-6-one|flavascensine
1,2-Dihydro-(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,
2,2,6,7-Tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one
4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
(E)-1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one|3-hydroxy-pi-damascone|4-hydroxy-beta-damascone
(+/-)-3-hydroxy-7,8-dehydro-beta-ionol|(4R)-4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-butyn-2-ol|3-Hydroxy-7,8-Dehydro-beta-ionol|3-hydroxy-7,8-didehydro-beta-ionol|4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol|5-Megastigmen-7-yne-3,9-diol|megastigm-5-en-7-yne-3,9-diol
2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one
3-(5-propyl-pyrimidin-2-yl)-propionic acid methyl ester
(+-)-tricycloekasantalic acid methyl ester|(+-)-Tricycloekasantalsaeure-methylester|3-(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-propionic acid methyl ester|3-(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-propionsaeure-methylester|Tricycloekasantalsaeure-methylester
2,3,4,5-Tetrahydro-5-isopropyl-2,5-dimethyl-2,2-bifuran
Pilocarpine
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 Pilocarpine is a selective M3-type muscarinic acetylcholine receptor (M3 muscarinic receptor) agonist.
C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl
AMINOCARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol
3-Hydroxy-b-damascone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
3-CYCLOHEXYL-2-HYDROXY-4,4-DIMETHYLCYCLOPENT-2-ENONE
N,N-DIMETHYL-2-[4-[(METHYLAMINO)METHYL]PHENOXY]ETHANAMINE
(N-TRIFLUOROACETYL-L-CYSTEINYL)GLYCINEMETHYLESTER,(1-1)DISULPHIDE
Benzoic acid, 3-amino-4-(ethylamino)-, ethyl ester (9CI)
Carbamic acid, (3-methyl-4-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
N2,N2-DIETHYL-3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXAMIDE
TERT-BUTYL 2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDIN-6-YLCARBAMATE
4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
2-(6-Amino-pyridin-3-yl)-2-methyl-propionic acid ethyl ester
ETHYL-2-METHYL-4-ISOPROPYL-5-PYRIMIDINE CARBOXYLATE
Piperidine, 4-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]- (9CI)
4,4,5,5-Tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate
2-Pyrrolidinemethanamine,1-ethyl-N-(2-furanylmethyl)-(9CI)
1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Imidazole-4-carboxylicacid,1-cyclopropyl-2,5-dimethyl-,ethylester(9CI)
N-(5-HYDROXYMETHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-[4-(hydroxymethyl)pyridin-3-yl]-2,2-dimethylpropanamide
N-[4-(hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxamide
N-(4-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-(2-METHOXY-PYRIDIN-4-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-(5-METHOXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
1-(2-fluorobenzyl)piperidin-3-amine(SALTDATA: 2HCl)
2-(Cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one
Propanoic acid, 2-(4-ethylphenoxy)-, hydrazide (9CI)
N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
Tricyclo[4.4.0.03,8]decan-2-one, 8-ethoxy-1-methyl- (9CI)
m-ACETOTOLUIDIDE, alpha-(DIMETHYLAMINO)-4-HYDROXY-
Benzoic acid, 3-amino-4-(dimethylamino)-, ethyl ester (9CI)
3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
1-METHYL-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER
Theaspirone
Theaspirone a is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Theaspirone a is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Theaspirone a can be found in tea, which makes theaspirone a a potential biomarker for the consumption of this food product.
1,4,5,6,7,7a-Hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-2H-inden-2-one
(S)-(6-((tetrahydrofuran-3-yloxy)methyl)pyridin-2-yl)methanamine
1-(2-MORPHOLIN-4-YL-ETHYL)-1H-PYRROLE-2-CARBALDEHYDE
6-amino-5-(piperidin-1-ylmethyl)-1H-pyrimidin-2-one
7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
3-Pyridinecarboxylicacid,2-[(3-methylbutyl)amino]-(9CI)
beta-ionone epoxide
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids (5r,6s)-5,6-epoxy-7-megastigmen-9-one, also known as 5,6-epoxy-beta-ionone, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (5r,6s)-5,6-epoxy-7-megastigmen-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (5r,6s)-5,6-epoxy-7-megastigmen-9-one can be found in garden tomato and root vegetables, which makes (5r,6s)-5,6-epoxy-7-megastigmen-9-one a potential biomarker for the consumption of these food products.
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol
N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
(+)-Isopilocarpine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics
1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-1,3-butanedione
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-
(1R,4R)-1-(3-Oxo-1-butenyl)-2,6,6-trimethyl-4-hydroxy-2-cyclohexene
4-(3-Hydroxy-1-butynyl)-3,5,5-trimethyl-2-cyclohexen-1-ol
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid
1-Carboxylato-2-phenyl-N,N,N-trimethylethan-1-aminium
(1E,2E,4E,7E)-1-[(oxidoamino)hydrazinylidene]undeca-2,4,7-triene
[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate
4-Isopropyl-3-methyleneoctahydro-2H-cyclohepta[b]furan-2-one
1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1,3,7,7-Tetramethyl-2-oxabicyclo[4.4.0]-5-decen-9-one
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
beta-ionone 5,6-epoxide
An apo carotenoid monoterpenoid that is beta-ionone substituted by an epoxy group across positions 5 and 6.
(4e)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one
3-[(1e)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
(4z)-4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one
2-(3-hydroxybut-1-en-1-yl)-2,6,6-trimethylcyclohex-3-en-1-one
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
3-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
(3e)-4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
(3as,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one
11,12,13-trinor-7-calamenone
{"Ingredient_id": "HBIN000249","Ingredient_name": "11,12,13-trinor-7-calamenone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1(CCC2C13CC(CC3O)C(=O)C2)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9417","PubChem_id": "101418274","DrugBank_id": "NA"}
1,6,8-hexadecatriene-10,12,14-triyne
{"Ingredient_id": "HBIN001776","Ingredient_name": "1,6,8-hexadecatriene-10,12,14-triyne","Alias": "NA","Ingredient_formula": "C16H16","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCC=C","Ingredient_weight": "208.3","OB_score": "NA","CAS_id": "3513-88-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9495","PubChem_id": "13964097","DrugBank_id": "NA"}
3-hydroxy-β-ionone
{"Ingredient_id": "HBIN008699","Ingredient_name": "3-hydroxy-\u03b2-ionone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15863","TCMID_id": "10232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one
{"Ingredient_id": "HBIN009558","Ingredient_name": "(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(CC(C1C=CC(=O)C)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10365","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4S, R′)-4-hydroxy-4-(3′-hydroxy-1′-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3′-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN010914","Ingredient_name": "(4S, R\u2032)-4-hydroxy-4-(3\u2032-hydroxy-1\u2032-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3\u2032-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one
{"Ingredient_id": "HBIN012328","Ingredient_name": "(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10366","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "73354989","DrugBank_id": "NA"}
(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one
{"Ingredient_id": "HBIN012776","Ingredient_name": "(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one","Alias": "(6R,7E)-9-hydroxy-4,7-megastigmadien-3-one","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42846;42841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one
{"Ingredient_id": "HBIN012778","Ingredient_name": "(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10368","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one
{"Ingredient_id": "HBIN012839","Ingredient_name": "(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101338768","DrugBank_id": "NA"}
(7 e,9 ξ)-9-hydroxy-5,7-megastigmadien-4-one
{"Ingredient_id": "HBIN013166","Ingredient_name": "(7 e,9 \u03be)-9-hydroxy-5,7-megastigmadien-4-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10369","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-ammodendrine
{"Ingredient_id": "HBIN015870","Ingredient_name": "(+)-ammodendrine","Alias": "NA","Ingredient_formula": "C12H20N2O","Ingredient_Smile": "CC(=O)N1CCCC(=C1)C2CCCCN2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1068","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-ionone epoxide
{"Ingredient_id": "HBIN018165","Ingredient_name": "\u03b2-ionone epoxide","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC(=O)C=CC12C(CCCC1(O2)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
