Exact Mass: 198.1044594
Exact Mass Matches: 198.1044594
Found 500 metabolites which its exact mass value is equals to given mass value 198.1044594,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tacrine
Tacrine is only found in individuals that have used or taken this drug. It is a centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimers disease and other central nervous system disorders. [PubChem]The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID A123
4,4'-Methylenedianiline
4,4’-Methylenedianiline (MDA) is an industrial chemical that is produced and used industrially as a precursor to polyamides, epoxy resins, and polyurethane foams (PMID: 20621954). It is a primary aromatic amine, belonging to the family of compounds known as Diphenylmethanes. Diphenylmethanes are compounds consisting of methane with two of the hydrogen atoms replaced by phenyl groups. MDA is used mainly as a precursor to 4,4 ́-methylene diphenyl diisocyanate (MDI), which is a precursor to many polyurethane foams. To generate MDI, which is a highly reactive isocyanate, MDA is treated with phosgene. Workers exposed to MDI may develop sensitization, leading to occupational asthma. MDI is metabolized in the body and secreted in the urine as MDA, Therefore MDA is a urinary biomarker of MDI exposure. On its own, MDA is a known animal carcinogen, and human hepatotoxin. MDA produces genotoxic effects by forming DNA adducts in the liver and inducing DNA damage to hepatocytes (PMID: 32038824). The Occupational Safety and Health Administration has set a permissible exposure limit at 0.01 ppm over an eight-hour time-weighted average, and a short-term exposure limit at 0.10 ppm. D009676 - Noxae > D002273 - Carcinogens
2-Amino-3-methylimidazo[4,5-f]quinoline
2-Amino-3-methylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3-methylimidazo[4,5-f]quinoline is isolated from cooked foods, e.g. sardines, beef extrac Isolated from cooked foods, e.g. sardines, beef extract. 2-Amino-3-methylimidazo[4,5-f]quinoline is found in fishes and animal foods. CONFIDENCE standard compound; INTERNAL_ID 5
2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole
2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole is a powerful mutagen presumed present in cooked food D009676 - Noxae > D009153 - Mutagens
Guaifenesin
Guaifenesin is a member of methoxybenzenes. Guaifenesin possesses a storied history, having been originally formally approved by the US FDA in 1952 and continues to be one of very few - if not perhaps the only drug that is readily available and used as an expectorant. Since that time the agent has been a combination component of various prescription and non-prescription over-the-counter cough and cold products and is currently a widely available over-the-counter generic medication. Although it is principally believed that guaifenesin elicits an action to facilitate productive cough to manage chest congestion, it is not known whether the agent can reliably mitigate coughing. Regardless, on March 1, 2007, the FDA received a petition asking the FDA to notify the public that some antitussives, expectorants, decongestants, antihistamines, and cough/cold combinations are not known to be safe and effective in children under the age of 6 years. After the negotiation between FDA and major manufacturers, a voluntary transition of labels for not using guaifenesin in children under the age of 4 years was endorsed by FDA in 2008. Furthermore, there has also been contemporary research to suggest that guaifenesin possesses and is capable of demonstrating anticonvulsant and muscle relaxant effects to some degree possibly by acting as an NMDA receptor antagonist. Guaifenesin is an Expectorant. The physiologic effect of guaifenesin is by means of Decreased Respiratory Secretion Viscosity, and Increased Respiratory Secretions. Guaifenesin is a natural product found in Plectranthus with data available. Guaifenesin is a glyceryl guaiacolate with expectorant effects. Guaifenesin increases respiratory tract mucus secretions, acts as an irritant to gastric vagal receptors and recruits efferent parasympathetic reflexes that cause glandular exocytosis. This agent reduces the viscosity of mucus secretion by reducing adhesiveness and surface tension as well as increasing hydration of mucus. Guaifenesin promotes the efficiency of the mucociliary mechanism important in removing accumulated secretions from the upper and lower airway. An expectorant that also has some muscle relaxing action. It is used in many cough preparations. [PubChem] An expectorant that also has some muscle relaxing action. It is used in many cough preparations. See also: Dextromethorphan Hydrobromide; Guaifenesin (component of); Guaifenesin; Phenylephrine Hydrochloride (component of); Guaifenesin; Pseudoephedrine Hydrochloride (component of) ... View More ... Guaifenesin (International Noproprietary Name) or guaiphenesin (former British Approved Name) is an expectorant drug usually taken orally to assist the expectoration (bringing up) of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. Guaifenesin (INN) or guaiphenesin (former BAN) is an expectorant drug usually taken orally to assist the expectoration (bringing up) of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. [HMDB] R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants C78273 - Agent Affecting Respiratory System > C29767 - Expectorant D019141 - Respiratory System Agents > D005100 - Expectorants Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2]. Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2].
Metharbital
Metharbital is only found in individuals that have used or taken this drug. It was patented in 1905 by Emil Fischer working for Merck. It was marketed as Gemonil by Abbott Laboratories. It is a barbiturate anticonvulsant, used in the treatment of epilepsy. It has similar properties to phenobarbital. Metharbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is found in herbs and spices. 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is a constituent of allspice (Pimenta dioica). Constituent of allspice (Pimenta dioica). 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is found in herbs and spices.
(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid
(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is found in garden tomato. (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is produced by a mutant tomato variety flacca deficient in abscisic acid. Production by a mutant tomato variety flacca deficient in abscisic acid. (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is found in garden tomato.
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
Dibenzyl ether
Dibenzyl ether, also known as benzyl oxide or fema 2371, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Dibenzyl ether is a sweet, almond, and cherry tasting compound. Dibenzyl ether has been detected, but not quantified, in dills. This could make dibenzyl ether a potential biomarker for the consumption of these foods. Flavouring ingredient. Dibenzyl ether is found in dill.
3,4-Methylene suberic acid
3,4-Methylene suberic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
2,3-Methylene suberic acid
2,3-Methylene suberic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
1-Phenyl-2-(pyridin-2-yl)ethanamine
(Rac)-Lanicemine ((Rac)-AZD6765) is the racemate of Lanicemine. Lanicemine (AZD6765) is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].
Chamaviolin
Chamaviolin is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product.
4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butyrate
It is used as a food additive .
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
1-hydroxy-9-(hydroxymethyl)-6-methyl-7-oxatricyclo[4.3.0.0?,?]nonan-4-one
(4R,5S,6S,7R)-5-acetyl-6,7-dihydroxy-4-methylcycloheptenone|keisslone
(1R,3R,5S,7S,8S,9S)-3,8-epoxy-1,7dihydroxy-Delta4,11-dihyronepetane|jatamanin D
(E)-form-6-Tetradecene-8,10,12-triyn-3-one|6-Tetradecene-8,10,12-triyn-3-one|Artemisiaketon|Tetradec-6t-en-8,10,12-triin-3-on|tetradec-6t-ene-8,10,12-triyn-3-one|trans-Tetradecen-(8)-triin-(2.4.6)-on-(12)
9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-1,3,5-triyne
2,3-Dimethoxy-5,6-dimethyl-2-cyclohexene-1,4-dione
4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol
(+)-cephalosporolide E|(+)-cephalosporolide F|(-)-cephalosporolide F|cephalosporolide E|cephalosporolide F|Cepharosporolide F
delta-Lactone-(2R,3R,5Z)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
(3-ethylidene-2-oxotetrahydropyran-4-yl)-acetic acid methyl ester
4-(erythro-6,7-dihydroxy-9-methylpent-8-enyl)furan-2(5H)-one|aruncin A
PROBARBITAL
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives
(1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|cachinol
threo-1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol
Ac-(+)- Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone
(5S,7S,8S,9S)-7,8-dihydroxy-Delta4,11-dihyronepetalactone|jatamanin A
(+)-6-hydroxyramulosin|6,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one|6-Hydroxyramulosin
(Z)-2-Angeloyloxymethyl-2-butenoic
2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- is a fatty acid ester. 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)- is a natural product found in Anthriscus sylvestris with data available.
JunipediolA
Junipediol A is a natural product found in Saussurea medusa, Peucedanum japonicum, and Juniperus phoenicea with data available.
Guaifenesin
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants C78273 - Agent Affecting Respiratory System > C29767 - Expectorant D019141 - Respiratory System Agents > D005100 - Expectorants Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2]. Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2].
1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid
5-(4-methyl-5-oxo-2H-furan-3-yl)pentanoic acid
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
C10H14O4_2H-Oxecin-2-one, 5,8,9,10-tetrahydro-5,8-dihydroxy-10-methyl-, (3Z,6E)
C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Tacrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6299; ORIGINAL_PRECURSOR_SCAN_NO 6297 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6327; ORIGINAL_PRECURSOR_SCAN_NO 6325 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6332; ORIGINAL_PRECURSOR_SCAN_NO 6331 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6338; ORIGINAL_PRECURSOR_SCAN_NO 6337 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6355; ORIGINAL_PRECURSOR_SCAN_NO 6351
(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
2-Amino-3-methylimidazo(4,5-F)quinoline
CONFIDENCE standard compound; INTERNAL_ID 2437
Terbuthylazine-TP CSCD648241 (LM6)
CONFIDENCE standard compound; UCHEM_ID 4175
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid_major
5-(4-methyl-5-oxo-2H-furan-3-yl)pentanoic acid_major
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid
metharbital
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-(2-hydroxy-3-oxobutan-2-yl)-2,5-dimethylfuran-3-one
5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride
1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-
1H-Benzimidazole,2-(2-cyclopenten-1-ylmethyl)-(9CI)
2-[5-(cyanomethyl)-1,3,5-trimethylcyclohex-3-en-1-yl]acetonitrile
4-(TERT-BUTYL)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE
tert-butyl-dimethyl-thiophen-2-ylsilane
C10H18SSi (198.08984279999999)
2-({6-[(2-HYDROXYETHYL)AMINO]PYRIDAZIN-3-YL}AMINO)ETHAN-1-OL
2,3-Dihydro-5-methyl-1H-cyclopenta[b]quinolin-9-amine
1-Cyclopentene-1-carboxylicacid,2-(2-acetylhydrazino)-,methylester(9CI)
2,3-Dihydro-7-methyl-1H-cyclopenta[b]quinolin-9-amine
ethyl 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetate
1-(4-Pyridinyl)cyclopentanamine hydrochloride (1:1)
METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
Pyrimido[1,2-a]benzimidazol-2-amine, 4-methyl- (9CI)
N-(4-CHLORO-PHENYL)-N,N-DIMETHYL-ETHANE-1,2-DIAMINE
ethyl 4-hydroxy-2-oxo-6-methylcyclohex-3-ene-1-carboxylate
Ethylene methacrylate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
4-Pyridinecarbonitrile,1,2,3,6-tetrahydro-1-(phenylmethyl)-
5-AMINO-1-(3-METHYLPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
2-(dimethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate
3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-
Spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester
5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
3-Indolizinecarboxylicacid,6-aminooctahydro-5-oxo-(9CI)
2-Phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI)
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
Mebicar
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C78272 - Agent Affecting Nervous System Tetramethylglycerol (Tetramethylglycoluril) is a small molecule that acts on GABA Receptor, with anti-anxiety activity[1].
4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
Ecgononium methyl ester(1+)
An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.
2,5-Dimethyl-2,4-hexadienedioic acid dimethyl ester
2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole
D009676 - Noxae > D009153 - Mutagens
7-Deoxyloganetic acid
An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by hydroxy and methyl groups respectively; the aglycone of 7-deoxyloganic acid.
cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid
Dibenzyl ether
A benzyl ether in which the oxygen atom is connected to two benzyl groups.
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid
7,8-dihydroxy-10-methyl-7,8,9,10-tetrahydrooxecin-2-one
(5r)-5-[(2r,5s)-5-[(1s)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
4-hydroxy-10-methyl-4,8,9,10-tetrahydro-3h-oxecine-2,7-dione
(5r)-5-[(2r,5s)-5-[(1r)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
4-hydroxy-6-[(2s,3r)-3-hydroxybutan-2-yl]-3-methylpyran-2-one
5-hydroxy-6-(1-methoxyethyl)-1-methyl-3-methylidene-6h-pyrazin-2-one
(1r,3s,7s,8z,10s)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
5-[5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]oxolan-2-one
1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol
{"Ingredient_id": "HBIN001489","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol","Alias": "NA","Ingredient_formula": "C10H14O4","Ingredient_Smile": "CC(C(C1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15883","TCMID_id": "10451","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-carboxymethyl-4-(3'-hydroxybutyl)furan
{"Ingredient_id": "HBIN005449","Ingredient_name": "2-carboxymethyl-4-(3'-hydroxybutyl)furan","Alias": "NA","Ingredient_formula": "C10H14O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3180","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine
{"Ingredient_id": "HBIN005961","Ingredient_name": "2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine","Alias": "2-methyl-3-(2',3',4'-trihydroxybutyl)pyrazine","Ingredient_formula": "C9H14N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31690;14772","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010040","Ingredient_name": "4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "NA","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "17098-67-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7912","PubChem_id": "NA","DrugBank_id": "NA"}
4,6-tetradecadiene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010086","Ingredient_name": "4,6-tetradecadiene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCO","Ingredient_weight": "198.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7899","PubChem_id": "71353587","DrugBank_id": "NA"}
6-tetradecene-8,10,12-triyn-3-one
{"Ingredient_id": "HBIN012826","Ingredient_name": "6-tetradecene-8,10,12-triyn-3-one","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CCC(=O)CCC=CC#CC#CC#CC","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "37064-08-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7519","PubChem_id": "5321840","DrugBank_id": "NA"}