Exact Mass: 198.0939

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3355 D009676 - Noxae > D002273 - Carcinogens

2-Amino-3-methylimidazo[4,5-f]quinoline

2-Amino-3-methylimidazo(4,5-F)quinoline hydrobromide

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

62641-07-0

cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid

1,2-Dihydroxymint lactone

1,2-Dihydroxy-p-menth-4(8)-en-9,3-olide

SK&F 91581

N-[3-(1H-imidazol-4-yl)propyl]-N-methylthiourea

4-Phenethylphenol

4-(2-Phenylethyl)phenol

1-(3,4-Dimethoxyphenyl)ethane-1,2-diol

Paeonilactone A

2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole

10-methyl-1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),5,8,10,12-pentaen-4-imine

2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole is a powerful mutagen presumed present in cooked food D009676 - Noxae > D009153 - Mutagens

4-HYDROXYAZOBENZENE

4-NITROSODIPHENYLAMINE

Benzenamine,4-nitroso-N-phenyl-

CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8669; ORIGINAL_PRECURSOR_SCAN_NO 8668 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8682; ORIGINAL_PRECURSOR_SCAN_NO 8680 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681; ORIGINAL_PRECURSOR_SCAN_NO 8679 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8654; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8608; ORIGINAL_PRECURSOR_SCAN_NO 8606 ORIGINAL_PRECURSOR_SCAN_NO 8679; CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4050; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4082 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4080 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4053; ORIGINAL_PRECURSOR_SCAN_NO 4051 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4044; ORIGINAL_PRECURSOR_SCAN_NO 4042 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4052; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8689; ORIGINAL_PRECURSOR_SCAN_NO 8687

7-deoxyloganetate

7-Deoxyloganetic acid

Guaifenesin

Guaifenesin for peak identification, European Pharmacopoeia (EP) Reference Standard

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

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

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 GABA_A 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

Harmol

9H-Pyrido(3,4-b)indol-7-ol, 1-methyl- (8CI)(9CI)

Alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol is found in sea-buckthornberry, herbs and spices, and fruits. Harmol is found in fruits. Harmol is an alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].

3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol

3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol

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

2-oxo-5-[(3E)-pent-3-en-1-yl]oxolane-3-carboxylic 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

1,1-[Oxybis(methylene)]bisbenzene, 9ci

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.

Harmanine

1-methyl-9H-2λ⁵-pyrido[3,4-b]indol-2-one

Xi-3-heptanol, also known as 3-hydroxyheptane or butyl ethyl carbinol, 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). Thus, xi-3-heptanol is considered to be a fatty alcohol lipid molecule. Xi-3-heptanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-3-heptanol can be found in fruits and herbs and spices, which makes xi-3-heptanol a potential biomarker for the consumption of these food products. Xi-3-heptanol can be found primarily in feces. Harmanine is found in alcoholic beverages. Harmanine is detected in wines.

3,4-Methylene suberic acid

3,4-dimethylideneoctanedioic 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-dimethylideneoctanedioic 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-[(2E)-2-methyl-3-(methylsulfanyl)prop-2-en-1-yl]cyclohex-2-en-1-ol

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.

Decadienedioic acid

(2E,4E)-deca-2,4-dienedioic acid

1,2,4,5-Tetramethoxybenzene

Benzene,1,2,4,5-tetramethoxy-

1,4-Butanediol diacrylate

4-(Prop-2-enoyloxy)butyl prop-2-enoic acid

Ethylene glycol dimethacrylate

2-(2-Methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoic acid

N-Phenylnicotinamide

N-phenylpyridine-3-carboximidic acid

Paeonimetabolin I

8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-5-one

(Carbamoylamino)peroxyurea

2-(But-3-enoyloxy)ethyl but-3-enoic acid

Chamaviolin

7-ethyl-4-methylazulene-1-carbaldehyde

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

2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl butanoic acid

It is used as a food additive .

Harmol

1-Methyl-9H-pyrido[3,4-b]indol-7-ol Monohydrochloride Dihydrate

Harmol is a 9H-beta-carboline carrying a methyl substituent at C-1 and a hydroxy group at C-7; major microspecies at pH 7.3. It has a role as an antifungal agent, an apoptosis inducer and an autophagy inducer. It is a harmala alkaloid and an indole alkaloid. It is functionally related to a beta-carboline. Harmol is a natural product found in Fontinalis squamosa, Passiflora foetida, and other organisms with data available. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.454 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.443 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.442 Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].

3,4,5-Trimethoxybenzyl alcohol

(3,4,5-Trimethoxyphenyl)methanol

Annularin B

Diplobifuranylone A

(-)-Diplobifuranylone A

Decarestrictin H

Stagonolide D

1-(2-Hydroxy-5-methoxyphenyl)-1,2-propanediol

4-(3-methylpyrazin-2-yl)butane-1,2,3-triol

Crocusatin F

Pimprinine

3-(2-Methyl-5-oxazolyl)-indole

Curvulide A

Gardendiol

Suspenolic acid

3-Hydroxybibenzyl

3-PHENETHYL-PHENOL

PMAGWBXRCQWPNQ-UHFFFAOYSA-

Diplobifuranylone B

(-)-Diplobifuranylone B

Paeonilactone-A

(-)-Paeonilactone A

1-(4-Methoxyphenyl)-1,2,3-propanetriol

(1S)-(-)-Camphanic acid

SCHEMBL14952777

fentoxan

AZOXYBENZENE

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3088

MCULE-1014190195

(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid

2,3,6-trimethoxy-5-methylphenol

1-hydroxy-9-(hydroxymethyl)-6-methyl-7-oxatricyclo[4.3.0.0?,?]nonan-4-one

6-[(1R,2S)-dihydroxypentyl]-2H-pyran-2-one

3-(3-methoxyphenoxy)propane-1,2-diol

(4R,5S,6S,7R)-5-acetyl-6,7-dihydroxy-4-methylcycloheptenone|keisslone

SCHEMBL9272825

deca-2,4-dienedioic acid

(1R,3R,5S,7S,8S,9S)-3,8-epoxy-1,7dihydroxy-Delta4,11-dihyronepetane|jatamanin D

Pestalotiopyrone E

C10H14O4

(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)

5-(1-Hydroxybutyl)-6-hydroxymethyl-2H-pyran-2-one

APHE-3

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

diplobifuranylones A

6-methoxy-9H-pyrido[3,4-b]indole

Buergerinin C

7alpha,8alpha-dihydroxy-3,5-decadien-10-olide

dihydroepinaucledal

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

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

NORHARMINE

3,8-Epidioxy-1,2-epoxy-p-mentha-4-ene-3-ol

Decarestrictine I

SCHEMBL13554410

Syneilesinolide B

Paeonimetabolin I

(+)-cephalosporolide E|(+)-cephalosporolide F|(-)-cephalosporolide F|cephalosporolide E|cephalosporolide F|Cepharosporolide F

C12=CC=CC=C2N(O)C2=C1C=CN=C2C

delta-Lactone-(2R,3R,5Z)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid

2,3-Dimethoxy-5,6-dimethylhydroquinone

Junipediol A

AB 5046A

(3-ethylidene-2-oxotetrahydropyran-4-yl)-acetic acid methyl ester

2-(2-Hydroxy-4-methylphenyl)propane-1,2,3-triol

MEGxp0_000853

(+)-cephalosporolide B|Cephalosporolide B

4-(erythro-6,7-dihydroxy-9-methylpent-8-enyl)furan-2(5H)-one|aruncin A

Pyrenochaetolide B

2-(2-hydroxy-5-methoxyphenyl)propane-1,3-diol

arthropsadiol C

cimicifugolide A

2,6-Dimethoxy-4-(methoxymethyl)phenol

PROBARBITAL

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives

SCHEMBL17253835

2,5-Dimethoxy-3,6-dimethyl-1,4-benzenediol

(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

1,4-Dimethyl-7-acetylazulene

ACMC-20n3nw

1-Azulenecarboxaldehyde, 7-ethyl-4-methyl-

2-(5-butyl-3-oxofuran-2-yl)acetic acid

2,6-Dimethoxy-3,5-dimethyl-1,4-benzenediol

1-methyl-9H-pyrido[3,4-b]indol-6-ol

Ac-(+)- Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone

UNII-2CZ3RD4DDE

4,6-Decadiyne-1,3,8,10-tetrol

(5S,7S,8S,9S)-7,8-dihydroxy-Delta4,11-dihyronepetalactone|jatamanin A

3-phenethylphenol

Norsantolinifolide B

(+)-6-hydroxyramulosin|6,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one|6-Hydroxyramulosin

5-(3-hydroxypropyl)-3-methoxybenzene-1,2-diol

5-hydroxyramulosin

9H-pyrido[3,4-b]indol-1-ylmethanol

4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenol

4-(2-hydroxyethyl)-2,6-dimethoxyphenol

(Z)-2-Angeloyloxymethyl-2-butenoic

2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-

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

2-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Junipediol A is a natural product found in Saussurea medusa, Peucedanum japonicum, and Juniperus phoenicea with data available.

Guaifenesin

Guaifenesin (Guaiphenesin)

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

NCGC00179813-02!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

NCGC00384700-01!5-(4-methyl-5-oxo-2H-furan-3-yl)pentanoic acid

(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid

NCGC00381354-01!(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)

NCGC00380340-01_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

NCGC00380778-01_C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

5-(4-methyl-5-oxo-2H-furan-3-yl)pentanoic acid

(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one

(-)-Camphanic acid

harmol hydrochloride

IQ

3-methyl-3H-imidazo[4,5-f]quinolin-2-amine

CONFIDENCE standard compound; INTERNAL_ID 2294

2-Amino-3-methylimidazo(4,5-F)quinoline

2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)

CONFIDENCE standard compound; INTERNAL_ID 2437

(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

(-)-Camphanic acid_major

o-Methylbenzhydrol

5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid

1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3-methyl-1-triazenyl]-

C6H10N6O2 (198.0865)

metharbital

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

2-Carboxy-7-nonen-4-olide

2-oxo-5-[(3E)-pent-3-en-1-yl]oxolane-3-carboxylic acid

Benzyl oxide

1,1'-[Oxybis(methylene)]bisbenzene, 9CI

3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol

(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid

Modiolide A

4R,7S,dihydroxy-2Z,5E-decadien-9R-olide

2-(2-hydroxy-3-oxobutan-2-yl)-2,5-dimethylfuran-3-one

2-(2-naphthalen-1-ylethyl)oxirane

1,3-Butanediyl bisacrylate

1H-Benzimidazole,1-(3-furanylmethyl)-(9CI)

2-Methyl-6-propionylnaphthalene

5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile

2,2-Diphenylethanol

1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride

1r)-(+)-camphanic acid

4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

3-amino-5-(tert-butyl)thiophene-2-carboxamide

4-amino-l-phenylalanine hydrate

N-Phenylisonicotinamide

1-(3,4-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

(4-METHYL-2-THIENYL)METHYLAMINE

1-(2,4-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

Diethyl propargylmalonate

1-Phenyl-2-pyrazin-2-ylethanone

4-(PIPERIDIN-1-YLMETHYL)THIAZOL-2-AMINE

C9H16N3S (198.1065)

1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-

3-Ethyl-1-oxa-3,7-diazaspiro[4.5]decane-2,4-dione

salicylidene 2-aminopyridine

adamantanecarbonyl chloride

3-Hydroxymethyl-2-methylbiphenyl

1-Ethyl-3-methylimidazolium tetrafluoroborate

C6H11BF4N2 (198.0951)

4-Methoxydiphenylmethane

2,3,4-Trimethoxybenzyl Alcohol

1-methoxy-4-(4-methylphenyl)benzene

3-Fluoro-4-isopropoxyphenylboronic acid

(2,4,6-Trimethoxyphenyl)methanol

Benzenemethanol, a-butyl-2-chloro-

AMITRAZ METABOLITE HYDROCHLORIDE

Mevalonic Lactone Methacrylate

1H-Imidazo[4,5-f]quinolin-2-amine,4-methyl-(9CI)

(4-methylbiphenyl-4-yl)-methanol

1-PHENYL PIPERAZINE HYDROCHLORIDE

Methyl(diphenyl)silane

C13H14Si (198.0865)

4-TRIMETHYLSILANYLOXY-CYCLOHEX-3-ENE-CARBALDEHYDE

C10H18O2Si (198.1076)

Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate

C9H11FN2O2 (198.0805)

Methyl 2-amino-5-isobutyloxazole-4-carboxylate

2-FLUORO-6-METHOXYPHENYLBORONIC ACID DIMETHYL ESTER

4-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole

2-Fluoro-5-propoxyphenylboronic acid

(5-FLUORO-2-ISOPROPOXYPHENYL)BORONIC ACID

2-Fluoro-6-propoxyphenylboronic acid

Benzene,1,2,3,5-tetramethoxy-

BB-NC-0036

2-Biphenylylboronic acid

2-[1,1-Biphenyl]-4-Yl-1-Ethanol

2,6-BIS(HYDROXYMETHYL)-1,4-DIMETHOXYBENZENE

5-amino-1-benzyl-imidazole-4-carbonitrile

3-(4-METHOXYPHENOXY)-1,2-PROPANEDIOL

1-(3-chlorophenyl)-N,N-dimethylethane-1,2-diamine

5-NORBORNENE-2-BENZOYL

Triisopropylgallium

C9H21Ga (198.0899)

[2-(3-Fluoropropoxy)phenyl]boronic acid

[4-(3-Fluoropropoxy)phenyl]boronic acid

2-Fluoro-6-isopropoxyphenylboronic acid

5-Fluoro-2-propoxyphenylboronic acid

3-Fluoro-4-propoxyphenylboronic acid

4-Ethylbiphenyl-4-ol

5-heptylfuran-2-thiol

1-methyl-2-phenylmethoxy-benzene

DIETHYL 2-METHYLENECYCLOPROPANE-1,1-DICARBOXYLATE

(2-Fluoro-4-isopropoxyphenyl)boronic acid

4-Biphenylboronic acid

2-(2-Oxo-1-imidazolidinyl)ethyl methacrylate

4-(TERT-BUTYL)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE

n-benzoylglycine-2,2-d2

C9H10D2N2O3 (198.0973)

3,4-dimethyldiphenyl ether

2,2-(m-phenylenedioxy)diethanol

chrysanthemumdicarboxylic acid

TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE

2-(4,5-Dihydro-2-oxazolyl)quinoline 97

1-Boc-4-(hydroxyMethyl)pyrazole

4-AMINO-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOLE-3-THIOL

2,3,4-Trimethoxy-6-methylphenol

ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate

1,1-DIPHENYLETHANOL

Pyrido[1,2-a]benzimidazol-8-ol, 1-methyl- (9CI)

4-[(5-oxo-2-pyrrolidinyl)carbonyl]morpholine

o-Phenanthroline monohydrate

Butanedioic acid,1,4-di-2-propen-1-yl ester

ETHYLIDENE DIMETHACRYLATE

2-(2-Methylphenyl)-benzenemethanol

bis(4-methylphenyl) ether

Ethyl oxo(2-oxocyclohexyl)acetate

Phosphonous acid,P-phenyl-, diethyl ester

C10H15O2P (198.081)

2-(2,6-dimethoxyphenoxy)ethanol

1-Oxaspiro[4.5]decane-4-carboxylicacid, 2-oxo-

(2-methylbiphenyl-4-yl)-methanol

(4-Fluoro-2-isopropoxyphenyl)boronic acid

Biphenyl-3-boronic acid

7-Methyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

(4-AMINOPHENYL)(1-METHYL-1H-IMIDAZOL-2-YL)METHANONE

6-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

N1-(4-Chlorophenyl)-2-methyl-1,2-propanediamine

N1-(2-Chlorophenyl)-2-methyl-1,2-propanediamine

3,4-DIMETHYL[1,1-BIPHENYL]-4-OL

1-(BENZYLOXY)-4-CHLOROBUTANE

tert-butyl-dimethyl-thiophen-2-ylsilane

C10H18SSi (198.0898)

3,4,5-TRIMETHOXY-PHENYL-HYDRAZINE

N-PHENYLPICOLINAMIDE

3-(3-FORMYL-1H-INDOL-1-YL)PROPANENITRILE

1-Cyclopentene-1-carboxylicacid,2-(2-acetylhydrazino)-,methylester(9CI)

4-BENZYLOXY-1-CHLOROBUTANE

2-Chloro-4-tert-amylphenol

Benzene,1-(4-chlorobutoxy)-4-methyl-

4(1H)-Pyrimidinone,5-butyl-2,3-dihydro-6-methyl-2-thioxo-

dimethyl phthalate (ring-d4)

C10H6D4O4 (198.083)

1-(3,5-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

2-(4-FLUOROPHENOXY)PROPANOHYDRAZIDE

C9H11FN2O2 (198.0805)

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

N1-(3-CHLOROPHENYL)-2-METHYLPROPANE-1,2-DIAMINE

2-AMINO-1-METHYL-3H-IMIDAZO[4,5-F]QUINOLINE

Floverine

3-(CYANOACETYL)-2-METHYLINDOLE

1,2,3,4-Tetramethoxybenzene

3-(Cyanoacetyl)-1-methylindole

(3,4-Dimethoxyphenyl)(2H2)acetic acid

C10H10D2O4 (198.0861)

Nicotine hydrochloride

1-(4-Pyridinyl)cyclopentanamine hydrochloride (1:1)

Tricyclo[4.4.0.03,8]decane-1-carbonyl chloride (9CI)

(1S,4S,6S,9S)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

(1R,4S,6S,9R)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

4-Methyl-2,2-bipyridine-4-carbaldehyde

2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde

1H-Imidazo[4,5-g]quinoxaline,1,2-dimethyl-(7CI)

1-ADAMANTYLOXYCARBONYL FLUORIDE

C11H15FO2 (198.1056)

METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE

HQEE

3-Fluoro-5-isopropoxyphenylboronic acid

Phenol,4-methyl-2-(phenylmethyl)-

3-chloro-2-N,2-N-diethylbenzene-1,2-diamine

dimethyl 2,3,5,6-tetradeuteriobenzene-1,4-dicarboxylate

C10H6D4O4 (198.083)

(3-METHYL-[1,1-BIPHENYL]-4-YL)METHANOL

(3-METHYL-[1,1-BIPHENYL]-3-YL)METHANOL

Pyrimido[1,2-a]benzimidazol-2-amine, 4-methyl- (9CI)

2-(cyclohexylamino)-1,3-thiazol-4-one

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

(2-Methyl-6-quinolinyl)methanol

(2-FLUORO-5-ISOPROPOXYPHENYL)BORONIC ACID

tert-butyl (5-methylisoxazol-3-yl)carbamate

Pyrido[1,2-a]benzimidazole-2,8-diamine (9CI)

Maleic acid, mono(4-methylpiperazide)

Dimethyl 4-cyclohexene-1,2-dicarboxylate

1-phenylpiperazin-1-ium chloride

(4-ISOPROPOXYPHENYL)BORONIC ACID HYDRATE

C9H15BO4 (198.1063)

3-Methoxy-4-methylbiphenyl

5-AMINO-1-(3-METHYLPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

O,O-bis-(2-hydroxyethoxybenzene)

2-ethyl-6-phenylphenol

TRIMETHYL 4-HYDROXYORTHOBENZOATE

4-(ETHYLTHIO)-6-ISOPROPYL-1,3,5-TRIAZIN-2- AMINE

N1-(3-CHLOROBENZYL)-N1-METHYLETHANE-1,2-DIAMINE

1-methoxy-4-(2-methylphenyl)benzene

Diisopropyl squarate

2,4,5-TRIMETHOXYBENZYL ALCOHOL

Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate

4,4-DIMETHYLDIPHENYLETHER

(R)-1-(1-Thiazol-2-yl-ethyl)-pyrrolidin-3-ol

(S)-1-(1-Thiazol-2-yl-ethyl)-pyrrolidin-3-ol

2-(chloromethyl)-5-methoxy-1,3,4-trimethylbenzene

2,5-Hexanedione,3,4-diacetyl-

2-chloro-N,N-diethylbenzene-1,4-diamine

Spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester

5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

[3-(3-Fluoropropoxy)phenyl]boronic acid

1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

Acenaphthene-5-boronic acid

(4-fluoro-2-propoxyphenyl)boronic acid

2-FLUORO-3-ISOPROPOXYPHENYLBORONIC ACID

N-(4-Chlorobenzyl)propane-1,3-diamine

4-Methylbenzhydrol

(R)-(-)-1,2-Diphenylethanol

1H-Imidazo[4,5-f]quinolin-2-amine,5-methyl-(9CI)

1H-Imidazo[4,5-f]quinoxaline,2-ethyl-(9CI)

3-Indolizinecarboxylicacid,6-aminooctahydro-5-oxo-(9CI)

cis-8-Methoxy-1,3-diazaspiro[4.5]decane-2,4-dione

2,3,4,5-tetradeuterio-6-ethoxycarbonylbenzoic acid

C10H6D4O4 (198.083)

3,5-DIMETHOXY-4-HYDROXYPHENYLMETHYL CARBINOL

2-(chloromethyl)-1-methoxy-4-propan-2-ylbenzene

4-METHOXY-3-METHYLBIPHENYL

ADIPIC ACID DIVINYL ESTER

1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI)

5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile

2-benzylbenzyl alcohol

UNII:4G5CEI3415

4-(1-Phenylethyl)phenol

3-Amino-1-benzyl-1H-pyrazole-4-carbonitrile

Phenethoxybenzene

bicyclo[2.2.2]octane-1,4-dicarboxylic acid

chembrdg-bb 5376327

C8H11FN4O (198.0917)

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-

1-(4-biphenylyl)ethanol

ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate

5-methyl-2-methylsulfanyl-6-propyl-1H-pyrimidin-4-one

Cyclo(-Pro-Thr)

5-(Azepan-1-yl)-1,3,4-thiadiazol-2-amine

1-(3-Ethoxy-4-hydroxyphenyl)ethane-1,2-diol

1,2-Diphenylethanol

1-Ethyl-3-phenoxybenzene

Trimethylsilyl cyclohex-3-ene-1-carboxylate

C10H18O2Si (198.1076)

69188-40-5

2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-

LS-363

InChI=1\C14H14O\c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14\h1-10H,11-12H

1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol

1-[(2E)-2-methyl-3-(methylsulfanyl)prop-2-en-1-yl]cyclohex-2-en-1-ol

beta-Isopropenyl-pimelate

C10H14O4-2 (198.0892)

UNII:9DX0J398K6

4-Butyroxy-2,5-dimethyl-3(2H)-furanone

2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline

Nicotinaldehyde 2-pyridinylhydrazone

5-(3-Hydroxymethyl-3-methyl-1-triazeno)imidazole-4-carboxamide

C6H10N6O2 (198.0865)

2,3,5-Trimethoxy-6-methylphenol

2,5-Dimethyl-2,4-hexadienedioic acid dimethyl ester

4,5,6,7-Tetrahydro-2-phenylbenzofuran

Para-(alpha-methylbenzyl(5D))phenol

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.

2,3-Methylene suberic acid

3,4-Methylene suberic acid

1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol

5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid

Cyclo(Thr-Pro)

Dihydroxymint lactone

(5-butyl-3-oxo-2h-furan-2-yl)acetic acid

tetradec-6-en-8,10,12-triyn-3-one

7,8-dihydroxy-10-methyl-7,8,9,10-tetrahydrooxecin-2-one

1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol

(5r)-5-[(2r,5s)-5-[(1s)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one

(4e,6e)-tetradeca-4,6-dien-8,10,12-triyn-1-ol

4-hydroxy-10-methyl-4,8,9,10-tetrahydro-3h-oxecine-2,7-dione

2,3-dimethoxy-5,6-dimethylbenzene-1,4-diol

(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

2-methyl-3-(2',3',4'-trihydroxybutyl)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