Exact Mass: 180.0973

3-Hydroxykynurenamine

3-amino-1-(2-amino-3-hydroxyphenyl)propan-1-one

This compound belongs to the family of Phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

5-Hydroxykynurenamine

3-Amino-1-(2-amino-5-hydroxyphenyl)-1-propanone

5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase. [HMDB] 5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase.

L-2-Amino-3-(4-aminophenyl)propanoic acid

4-Aminophenylalanine, (L)-isomer, 14C and 15N-labeled

L-2-Amino-3-(4-aminophenyl)propanoic acid is found in pulses. L-2-Amino-3-(4-aminophenyl)propanoic acid is a constituent of the famine food Vigna vexillata

(4-Ethoxyphenyl)urea

Urea, (4-ethoxyphenyl)- (9ci)

CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6926; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6863 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6901; ORIGINAL_PRECURSOR_SCAN_NO 6899 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6900; ORIGINAL_PRECURSOR_SCAN_NO 6896 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900 (4-Ethoxyphenyl)urea is a sweetening agent about 250 times sweeter than sucrose. It is prohibited from human food use in U.S.A. and other countries

Dihydroactinidiolide

(+/-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE [FHFI]

Dihydroactinidiolide is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Dihydroactinidiolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroactinidiolide is a red fruit, ripe apricot, and woody tasting compound found in coffee and coffee products, fruits, and tea, which makes dihydroactinidiolide a potential biomarker for the consumption of these food products. Dihydroactinidiolide exists in all eukaryotes, ranging from yeast to humans. Dihydroactinidiolide is a volatile terpene. It has a sweet, tea-like odor and is used as a fragrance. Dihydroactinidiolide occurs naturally in black tea, fenugreek, fire ants, mangos, silver vine (Actinidia polygama), and tobacco. It has also been prepared synthetically . Dihydroactinidiolide is found in coffee and coffee products. Dihydroactinidiolide has been isolated from tea, coffee and fruits. Dihydroactinidiolide is an important aroma constituent of tea. Dihydroactinidiolide is a member of benzofurans. Dihydroactinidiolide is a natural product found in Tagetes lucida, Cucumis melo, and other organisms with data available. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2]. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2].

3-tert-Butyl-4-hydroxyanisole

3-(1,1-Dimethylethyl)-4-hydroxyanisole

3-tert-Butyl-4-hydroxyanisole (3-BHA), also known as BHA or 4-methoxy-2-tert-butylphenol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. BHA is an extremely weak basic (essentially neutral) compound (based on its pKa). BHA is a waxy solid used as a food additive with the E number E320. BHA is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHA was detected in human urine (PMID: 31265952).

2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is found in alcoholic beverages. 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is a constituent of hops

Norecasantalic acid

2-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}acetic acid

Norecasantalic acid is found in cereals and cereal products. Norecasantalic acid is a flavouring ingredient. Norecasantalic acid is a constituent from oil of the famine food Santalum album (sandalwood). Flavouring ingredient. Constituent from oil of the famine food Santalum album (sandalwood). Norecasantalic acid is found in cereals and cereal products.

(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(3E)-3-ethylidene-tetrahydro-2H-pyrrolo[1,2-a]piperazine-1,4-dione

(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione is isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho). Isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho)

Jasmolone

4-hydroxy-3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one

Jasmolone is found in herbs and spices. Jasmolone is a constituent of oil of Jasminum grandiflorum (royal jasmine)

Bovolide

(5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one

Constituent of peppermint oil. Bovolide is found in peppermint and herbs and spices. Bovolide is found in herbs and spices. Bovolide is a constituent of peppermint oil.

4-Methoxybenzyl acetate

Benzyl alcohol, P-methoxy-, acetate (8ci)

4-Methoxybenzyl acetate is found in fruits. 4-Methoxybenzyl acetate is found in fruits, Bourbon vanilla and Tahiti vanilla. 4-Methoxybenzyl acetate is used in flavour industry. Found in fruits, Bourbon vanilla and Tahiti vanilla. It is used in flavour industry.

4-(3,4-dihydroxyphenyl)butan-2-one

4-(Butoxymethyl)phenol

4-(BUTOXYMETHYL)PHENOL

4-(Butoxymethyl)phenol is a constituent of the leaves and stems of Vanilla fragrans (vanilla). Constituent of the leaves and stems of Vanilla fragrans (vanilla)

Ethyl p-anisate

Benzoic acid, p-methoxy-, ethyl ester

Ethyl p-anisate is a flavouring ingredien

3-(3-Hydroxyphenyl)-2-methylpropionic acid

3-(3-Hydroxyphenyl)-2-methylpropionic acid is a metabolite of carbidopa. Carbidopa (Lodosyn) is a drug given to people with Parkinsons disease in order to inhibit peripheral metabolism of levodopa. This property is significant in that it allows a greater proportion of peripheral levodopa to cross the blood brain barrier for central nervous system effect. (Wikipedia)

4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde

4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is found in herbs and spices. 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is a constituent of saffron, Crocus sativus. Constituent of saffron, Crocus sativus. 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is found in herbs and spices.

3-Methoxy-5-(prop-2-en-1-yl)benzene-1,2-diol

3-Methoxybenzenepropanoic acid

3-(3’-Methoxyphenyl)propanoic acid

3-Methoxybenzenepropanoic acid, also known as 3-(3-methoxyphenyl)propionate or 3-methoxydihydrocinnamate, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-Methoxybenzenepropanoic acid is a naturally occurring human metabolite, It is an organic acid and excreted in human urine (PMID: 8087979) [HMDB] 3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.

Tyrosinamide

2-Amino-3-(4-hydroxyphenyl)propanimidate

Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes. [HMDB] Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes.

2-Phenylpropionaldehyde dimethyl acetal

1,1-Dimethoxy-2-phenylpropane is a flavouring agent. It is used as a food additive .

(+)-Myrtenyl formate

{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl formic acid

(+)-Myrtenyl formate is found in herbs and spices. (+)-Myrtenyl formate is a flavouring ingredient. (+)-Myrtenyl formate is present in hyssop oil (Hyssopus officinalis). (+)-Myrtenyl formate is a flavouring ingredient. It is found in herbs such as hyssop oil (Hyssopus officinalis) and spices.

2-tert-Butyl-4-hydroxyanisole

2-(1,1-Dimethylethyl)-4-hydroxyanisole

2-tert-Butyl-4-hydroxyanisole is an ingredient in butylated hydroxyanisole. Butylated hydroxyanisole (BHA) is an antioxidant consisting of a mixture of two isomeric organic compounds, 2-tert-butyl-4-hydroxyanisole and 3-tert-butyl-4-hydroxyanisole. It is prepared from 4-methoxyphenol and isobutylene. It is a waxy solid used as a food additive with the E number E320. The primary use for BHA is as an antioxidant and preservative in food, food packaging, animal feed, cosmetics, rubber, and petroleum products. BHA also is commonly used in medicines, such as isotretinoin, lovastatin, and simvastatin, among others. (Wikipedia) C26170 - Protective Agent > C275 - Antioxidant

(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol

1-Heptanesulfonic acid

Sodium 1-heptanesulfonate

C7H16O3S (180.082)

3-Anilinoalanine

2-amino-3-(phenylamino)propanoic acid

Stilbene

1,1-(1,2-Ethenediyl)bis[benzene]

Diisopropyl methylphosphonate

Methylphosphonic acid bis(1-methylethyl)ester

Pinacolyl methylphosphonic acid

[(3,3-dimethylbutan-2-yl)oxy](methyl)phosphinic acid

3,7-Dimethylbicyclo[4.1.0]heptane-1,7-dicarbaldehyde

Amino (2S)-2-amino-3-phenylpropanoate

Amino (2S)-2-amino-3-phenylpropanoic acid

Pyridin-3-ylmethyl N,N-dimethylcarbamate

(Pyridin-3-yl)methyl N,N-dimethylcarbamic acid

trans-Carvyl formate

(1R,5S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl formic acid

Trans-carvyl formate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-carvyl formate can be found in spearmint, which makes trans-carvyl formate a potential biomarker for the consumption of this food product.

9,10-DIHYDROPHENANTHRENE

Limonenecarboxylic acid

NSC 379495

5-(1-Methoxy-1-methylethyl)-2-methyl-phenol

1,1,5-Trimethyl-2-formyl-6-methoxy-[2,4]-cyclohexadiene

1,1,5-Trimethyl-2-formyl-4-methoxy-[2,5]-cyclohexadiene

1,4-Diethoxy-2-methylbenzene

1,4-Diethoxy-2-methyl benzene

Olivetol

5-n-Pentylresorcinol;5-Pentyl-1,3-benzenediol

Olivetol appears as off-white crystals or olive to light purple waxy solid. Forms monohydrate (melting point: 102-106 °F). (NTP, 1992) Olivetol is a member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. It has a role as a lichen metabolite. Olivetol is a natural product found in Ardisia virens, Primula obconica, and Cannabis sativa with data available. A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. Olivetol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=500-66-3 (retrieved 2024-07-12) (CAS RN: 500-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activity, with IC50s of 15.3 μM, 7.21 μM and Kis of 2.71 μM, 2.87 μM, respectively[1][2]. Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activity, with IC50s of 15.3 μM, 7.21 μM and Kis of 2.71 μM, 2.87 μM, respectively[1][2].

D-1-Deoxygalactitol,,

C7H16O5 (180.0998)

Mucidone

methyl decatrienoate

diphenylethylene

5-(1-Aminoethyl)3-pyridinecarboxylic acid methyl ester

p-Methoxythymol

1,4,4-Trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen|1,4,4-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene

methyl deca-3,5,7-trienoate

(4S*)-4-methoxy-p-mentha-1,8-dien-3-one

5-propyl-pyrimidine-2-carboxylic acid methyl ester

114020-02-9

1,1-Dimethoxy-3-phenylpropane

1,2-Dimethoxy-4-propylbenzene

1,2-DIMETHOXY-4-N-PROPYLBENZENE

SCHEMBL14934286

2,3-Dimethyl-2,6-cyclo-norbornan-3-carbonsaeure-methylester|2,3-dimethyl-2,6-cyclo-norbornane-3-carboxylic acid methyl ester

Methyl 4-trans-dehydrogeranate

(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone|(??)-(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone

4-Isoamylresorcinol

Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate

1-Phenylpentane-1,3-diol

5-(2-methoxypropan-2-yl)-2-methylphenol

4-hex-1-enyl-2-methyl-2H-furan-5-one

3-Methoxy-4,6,6-trimethyl-1,4-cyclohexadiene-1-carbaldehyde

2-Methyl-9H-fluorene

5-Isopropyl-4-methoxy-2-methylphenol

4abeta,7alpha,4aalpha-nepetalactone

SCHEMBL692205

heptane-1,3,4,5,7-pentol

C7H16O5 (180.0998)

4-(4-methoxyphenyl)butan-2-ol

3-(1-hydroxypentyl)phenol

undec-9-en-7-ynoic acid

(4-isopropyl-3-methoxyphenyl)methanol

3-Methyl-9H-fluorene

Pilosinine

Camellimidazole E

3-Amino-4-methoxyacetaniline

N-(3-Amino-4-methoxyphenyl)acetamide

CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3864; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3878; ORIGINAL_PRECURSOR_SCAN_NO 3875 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3869; ORIGINAL_PRECURSOR_SCAN_NO 3866 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3860; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3861; ORIGINAL_PRECURSOR_SCAN_NO 3859 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2278; ORIGINAL_PRECURSOR_SCAN_NO 2276 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2286; ORIGINAL_PRECURSOR_SCAN_NO 2285 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2289; ORIGINAL_PRECURSOR_SCAN_NO 2288 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6897; ORIGINAL_PRECURSOR_SCAN_NO 6893 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900

Butylated hydroxyanisole

2-tert-Butyl-4-methoxyphenol

CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4998; ORIGINAL_PRECURSOR_SCAN_NO 4996 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4957; ORIGINAL_PRECURSOR_SCAN_NO 4954 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4977; ORIGINAL_PRECURSOR_SCAN_NO 4975 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5011; ORIGINAL_PRECURSOR_SCAN_NO 5006 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4999; ORIGINAL_PRECURSOR_SCAN_NO 4996

2-Piperazin-1-ylpyrimidin-5-ol

1-(5-Hydroxy-2-pyrimidinyl)piperazine

pyridostigmine

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

Jasmolone

4-hydroxy-3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one

4-Aminophenylalanine

L-2-Amino-3-(4-aminophenyl)propanoic acid

fema 2888

2-Phenylpropionaldehyde dimethyl acetal

Dihydroactinidiolide

2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone

(±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2]. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2].

Myrtenyl formate

(7,7-Dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl formate

Norecasantalic acid

2-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}acetic acid

Bovolide

(5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one

4-(BUTOXYMETHYL)PHENOL

(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(3E)-3-ethylidene-octahydropyrrolo[1,2-a]piperazine-1,4-dione

diphenylethylene

1,1-Diphenylethylene

1-(p-Fluorophenyl) piperazine

formyl 2E,4E,6Z-decatrienoate

formyl 2E,4Z,6Z-decatrienoate

formyl 2Z,4E,6Z-decatrienoate

7E,10-undecadien-4-olide

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

FOH 11:4;O

2-(2-trans-pentenyl-5-hydroxy)-3-methyl-2-cyclopenten-1-one

FA 11:3

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

SFE 11:3

Methyl 2Z,4E,6Z-decatrienoate

2-ISOPROPYL-4-NITROBENZENAMINE

2-ISOPROPYL-6-NITROBENZENAMINE

3-cyclohexyl-4-methylthiophene

6-morpholin-4-yl-1H-pyridin-2-one

1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid

4-(2-Aminoethoxy)benzamide

4-(p-methoxyphenyl)butanol

1-(2-furoyl)piperazine

2-(Benzyloxy)-2-methyl-1-propanol

2-Methyl-3H-cyclopenta[a]naphthalene

1-Methylfluorene

1-Methyl-9H-fluorene

2-Morpholin-4-ylpyrimidin-5-amine

2-(4-Fluorophenyl)piperazine

3-AMINOPHENYLN,N-DIMETHYLCARBAMATE

Ethyl 3,4-diaminobenzoate

4-Isopropyl-2-methyl-pyrimidine-5-carboxylic acid

Ethyl 2,2-difluorohexanoate

C8H14F2O2 (180.0962)

3,5-Dimethyl-4-methoxyphenylboronic acid

Methyl 3-amino-4-(methylamino)benzoate

5-AMINO-6-METHYL-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER

Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate

3-(Benzyloxy)-2-methyl-1-propanol

(3-(2-Hydroxypropan-2-yl)phenyl)boronic acid

Adamantane-1-carboxylic acid

5-Acetamidomethyl-4-amino-2-methyl pyrimidine

FMOC-L-2-AMINOADIPIC ACID

4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide

2-ISOPROPYLAMINO-NICOTINIC ACID

(4-Isopropoxyphenyl)boronic acid

4-ethoxybenzhydrazide

4-Amino-L-phenylalanine

2-amino-3-(4-aminophenyl)propanoic acid

3-ethoxybenzhydrazide

3-amino-N-methoxy-4-methylbenzamide

pinacolyl methylphosphonate

Pinacolyl methylphosphonic acid

1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde

3-AMINO-4-ETHYLAMINO-BENZOIC ACID

(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol

BENZYL ALCOHOL, o-BUTOXY-

4-ETHOXY-N-HYDROXYBENZIMIDAMIDE

(2R)-2-amino-2-(4-methoxyphenyl)acetamide

2-(Phenylmethoxy)-acetic Acid Hydrazide

Methyl 6-(ethylamino)nicotinate

Alkylphenol disulfide

3-Amino-4-methoxy-N-methylbenzamide

Methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

2-Methylphenylacetaldehyde dimethyl acetal

3-Methylphenylacetaldehyde dimethyl acetal

3-(3-Hydroxyphenyl)-1,1-dimethylurea

2-ethoxy-N-hydroxybenzenecarboximidamide

4-n-Butoxybenzyl alcohol

METHYL PERILLATE

1-ISOPROPYL-2,3-DIMETHOXYBENZENE

Ethyl propylphosphonate

5-Pyrimidinecarboxylicacid, 2,4-dimethyl-, ethyl ester

2 4-DIETHOXYTOLUENE

(3-methoxyphenyl)-trimethylsilane

2-amino-3-(3-aminophenyl)propanoic acid

(2,3-DIAMINOPHENYL)METHANOL

1-N-BOC-CIS-1,4-CYCLOHEXYLDIAMINE

Methyl 2,3-diamino-5-methylbenzoate

Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, (3Z,8aS)- (9CI)

Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, [S-(E)]- (9CI)

(3-Propoxyphenyl)boronic acid

1H-Imidazole-5-carboxylic acid,4-(1,1-dimethyl-2-propen-1-yl)-

ethyl 2-(5-methylpyrazin-2-yl)acetate

Benzyloxytrimethylsilane

(Benzyloxy)(trimethyl)silane

acetic acid,ethane-1,2-diamine

C6H16N2O4 (180.111)

[2-(Ethoxymethyl)phenyl]boronic acid

(4-Ethoxy-2-methylphenyl)boronic acid

Di-tert-butylchlorophosphane

C8H18ClP (180.0835)

(4-methoxyphenyl)-trimethylsilane

Silane, (4-methoxyphenyl)trimethyl-

4-propoxyphenylboronic acid

Benzenemethanamine,N,N-dimethyl-3-nitro-

Benzenemethanol,4-(1-methylpropoxy)-

Benzenepropanoic acid,2-hydroxy-, hydrazide

3-cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)

N-[(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-ETHANAMINE

4-amino-3-ethoxybenzamide

METHYL 6-(DIMETHYLAMINO)NICOTINATE

4-(4-methoxyphenyl)-1-butanol

4-Tert-Butyl-2-Mercaptotoluene

ETHYL 2-AMINO-5-METHYLNICOTINATE

Isopropyl-(2-nitro-phenyl)-amine

3(2H)-Pyridazinone,6-(1-piperazinyl)-(9CI)

Ammonium adipate

C6H16N2O4 (180.111)

Benzenethiol,4-(1,1-dimethylethyl)-2-methyl-

4-ETHOXY-3-METHYLPHENYLBORONIC ACID

ethyl 3,5-diaminobenzoate

2-AMINO-1-(3-METHOXY-PHENYL)-ETHANONE OXIME

1-ethoxyethoxymethylbenzene

Benzene, ((1-ethoxyethoxy)methyl)-

(methyl-pyridin-2-ylmethyl-amino)-acetic acid

Pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-2-methyl-3-methylene-

(3-(3-HYDROXYPROPYL)PHENYL)BORONIC ACID

O-TOLYLOXY-ACETIC ACID HYDRAZIDE

2-(4-Methylphenoxy)acetohydrazide

M-TOLYLOXY-ACETIC ACID HYDRAZIDE

Ethyl (3-amino-2-pyridinyl)acetate

1,2,3,4,5,6,7,8-OCTAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID

4-Benzyloxy-1-butanol

Ethyl 4-amino-6-methylnicotinate

Ethyl 2-(aminomethyl)isonicotinate

2-ETHOXY-5-METHYLPHENYLBORONIC ACID

2-(1H-imidazol-1-yl)ethyl methacrylate

3-(4-hydroxyphenyl)propanehydrazide

2-amino-1-(4-methoxy-phenyl)-ethanone oxime

3,4-dimethoxybenzenecarboximidamide

2,4-DIMETHOXY-BENZAMIDINE

4-(2-Amino-4-pyrimidyl)morpholine

4-(Pentyloxy)phenol

Ethyl (4-aminophenyl)carbamate

N-METHYL-2-(3-OXO-2-PIPERAZINYL)ACETAMIDE

1-Pentanone,1-(4-fluorophenyl)-

N,N-Dimethyl-1-(4-nitrophenyl)methanamine

5-Tert-butyl-3-methylpyrocatechol

Benzene,1,3-diethoxy-2-methyl-

cis-Stilbene

trans-Stilbene

Benzoic acid, 3-methoxy-2-methyl-, hydrazide (9CI)

(3-ETHOXY-5-METHYLPHENYL)BORONIC ACID

N-(2-Hydroxypropyl)isonicotinamide

1,3-Dimethoxy-2-propylbenzene

Ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate

3-Phenylbicyclo[4.2.0]octa-1,3,5-triene

Methyl 3-amino-3-(3-pyridinyl)propanoate

4-Amino-N-(2-hydroxyethyl)benzamide

2-(2-aminoethoxy)benzamide

4-tert-Butyl benzyl mercaptan

GUANIDINE CARBONATE

C3H12N6O3 (180.0971)

9,10-Dihydroanthracene

Anthracene,9,10-dihydro-

Ethyl 1,4,5,6-Tetrahydrocyclopenta[c]Pyrazole-3-Carboxylate

(R)-(+)-1,2-OCTADECANEDIOL

9-methylfluorene

4-METHYLFLUORENE

4-[(1S)-1-hydrazinylethyl]benzoic acid

Ethoxy(dimethyl)phenylsilane

2-PHENOXYPROPANOHYDRAZIDE

2-CYCLOHEXYL-3-HYDROXYCYCLOPENT-2-ENONE

3,5-DIMETHOXY-BENZAMIDINE

ETHYL 3-HYDRAZINOBENZOATE

[4-(Ethoxymethyl)phenyl]boronic acid

5-METHYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLE-3-CARBOXYLIC ACID

4-Methoxy-2,3-dimethylphenylboronic acid

6-Morpholinopyrimidin-4-amine

2-fluoro-3-piperidin-4-ylpyridine

1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE)

1-(4-fluorophenyl)-3-methyl-butan-1-one

2-Heptanoylfuran

1-Heptanone,1-(2-furanyl)-

(2-Isopropoxyphenyl)boronic acid

1,3-Propanediol,2,2-dimethyl-1-phenyl-

3-Fluoro-4-(1-pyrrolidinyl)aniline

Pyrrolo[1,2-a]pyrazin-4(6H)-one, 7,8-dihydro-1-methoxy-3-methyl- (9CI)

2-methyl-4-phenoxybutan-2-ol

4-Vinylbiphenyl

4-(3-HYDROXYPROPYL)PHENYL]BORONIC ACID

METHYL 3-AMINO-3-(PYRIDIN-3-YL)PROPANOATE

4-(Aminomethyl)-1-methyl-piperidin-4-ol(HCl)

C7H17ClN2O (180.1029)

Methyl 5-(dimethylamino)nicotinate

2-TRIMETHYLSILYLANISOLE

Acetamide, N-(5-amino-2-methoxyphenyl)-

Forsythin

ethyl 2-(5-aminopyridin-2-yl)acetate

3-Phenoxypropanehydrazide

3-TRIMETHYLSILANYLMETHYL-PHENOL

3-AMINO-N,N-DIETHYL-PROPIONAMIDE HCL

C7H17ClN2O (180.1029)

2,6-dimethyl-3-methoxy benzene boronic acid

1-(BENZYLOXY)-2-METHYLPROPAN-2-OL

pelargonic acid sodium salt

C9H17NaO2 (180.1126)

Ethyl amino(2-pyridinyl)acetate

1-(2,6-DICHLOROPHENYL)BIGUANIDEHYDROCHLORIDE

2,4,6-Trimethyl-1,3-benzenedimethanol

3,5-Bis(Aminomethyl)Benzoic Acid

4-Chlorobutyraldehyde diethyl acetal

C8H17ClO2 (180.0917)

5,5-dimethyl-2-propan-2-ylidenecyclohexane-1,3-dione

CHEMBRDG-BB 4013692

2-diethoxyphosphorylpropane

Ethyl (6-aminopyridin-2-yl)acetate

5-Amino-2-(dimethylamino)benzoic acid

Ethyl 5-amino-2-methylnicotinate

methoxy-dimethyl-(4-methylphenyl)silane

dibutyl-chloro-phosphane

C8H18ClP (180.0835)

4-Butylpyrimidine-5-boronic acid

C8H13BN2O2 (180.107)

3-Indoleacetic acid-D5

C10H4D5NO2 (180.0947)

2-(4-Methoxyphenyl)acetohydrazide

3-ETHOXYSPIRO[3.5]NON-2-EN-1-ONE

1-(3-methoxyphenyl)-2-methylpropan-1-ol

4-(2-hydroxypropan-2-yl)phenylboronic acid

3-Amino-2-hydroxy-N,N-dimethylbenzamide

2-(Dimethylamino)-6-methyl-4-pyridinecarboxylicacid

2-NORBORNYL METHACRYLATE

Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-6-methyl-3-methylene- (9CI)

4-(Benzylamino)-4-oxobutanoic acid

2-adamantanecarboxylic acid

3 4-DIETHOXYTOLUENE

Carbonic acid - guanidine (1:2)

C3H12N6O3 (180.0971)

3,5-diamino-2,6-dimethylbenzoic acid

2,5-Dimethyl-4-methoxyphenylboronic acid

Ethyl 4-hydrazinobenzoate

4-FLUOROVALEROPHENONE

Benzylmethoxydimethylsilane

(Diethoxymethyl)benzene

Benzene,(diethoxymethyl)-

1-nitronaphthalene-d7

C10D7NO2 (180.0916)

ethyl 4,6-dimethylpyrimidine-5-carboxylate

Pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro-3-hydroxy-2,3-dimethyl- (9CI)

2,2-DIMETHYL-3-FLUOROPROPIOPHENONE

Acetamide,N-(4-amino-2-methoxyphenyl)-

1H-Benzimidazole-5-carboxylic acid,4,5,6,7-tetrahydro-2-methyl- (9CI)

4-amino-3-methoxy-N-methylbenzamide

1,8-dimethylbiphenylene

1-fluoro-9-chlorononane

C9H18ClF (180.1081)

(4E)-4-[amino(nitroso)methylidene]-N,N-dimethyl-1H-pyridin-2-amine

METHYL2-(DIMETHYLAMINO)ISONICOTINATE

Benzyl 1-methylhydrazinecarboxylate

(3-((2-Aminoethyl)amino)propyl)silanetriol

C5H16N2O3Si (180.093)

N-(2-Amino-4-methoxyphenyl)acetamide

Bicyclo[2.2.1]heptane-1-carboxylicacid, 3,3-dimethyl-2-methylene-

2-AMINO-N-(BENZYLOXY)-ACETAMIDE

4-amino-N-methoxy-N-methylbenzamide

POLY(3-CYCLOHEXYL-4-METHYLTHIOPHENE-2 5&

4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-6(2H)benzofuranone

Methylbenzo[f]indene

Dimethylacenaphthylene

(2,6-DIMETHYL-4-METHOXYPHENYL)BORONIC ACID

1-hydroxymethyl-4-oxoadamantane

2-(3-FLUOROPHENYL)-PIPERAZINE

1-(2-Fluorophenyl)piperazine

2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid(SALTDATA: FREE)

Butyl 2,2-difluorobutanoate

C8H14F2O2 (180.0962)

POLY(4-VINYLBIPHENYL)

n-Hexylmesylate,

C7H16O3S (180.082)

4-TRIMETHYLSILANYLMETHYL-PHENOL

1H-Imidazole-4-carboxylic acid,2-cyclopentyl- (9CI)

(4-tert-Butoxyphenyl)methanol

2,4-Dimethyl-6-methoxyphenylboronic acid

guanidine

C3H12N6O3 (180.0971)

2-(3-Methoxyphenyl)acetohydrazide

(3-Ethoxy-4-methylphenyl)boronic acid

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)acrylic acid

3-(4-Morpholinyl)-2-pyrazinamine

2-(2H3)Methyl(2H5)naphthalene-1,4-dione

C11D8O2 (180.1026)

(3-TERT-BUTOXY-PHENYL)-METHANOL

N-isopropyl-4-nitroaniline

N-(6-Methoxy-4-methyl-3-pyridinyl)acetamide

2-Ethoxybenzohydrazide

1,3-bis(2-hydroxyethoxy)propan-2-ol

C7H16O5 (180.0998)

1-ADAMANTYLPHOSPHAETHYNE

C11H17P (180.1068)

m-PEG3-SH

C7H16O3S (180.082)

2-(4-nitrophenyl)propan-2-amine

1-(4-aminopyrimidin-2-yl)pyrrolidin-3-ol

4-Isopropyl-2-nitroaniline

2,4-xylidinium acetate

C10H14NO2 (180.1024)

Ethyl 6-(aminomethyl)-2-pyridinecarboxylate

4-(tert-Butyl)benzyl mercaptan

N-(4-METHOXYBENZYL)UREA

2-Propoxyphenylboronic acid

1-(3-FLUOROPHENYL)PIPERAZINE

(3-Isopropoxyphenyl)boronic acid

Methyl 2-(methyl(pyridin-2-yl)amino)acetate

Methyl 4-amino-3-(methylamino)benzoate

(2E,4E,6Z)-Methyl deca-2,4,6-trienoate

methyl (2E,4Z,6Z)-2,4,6-decatrienoate

Octalene

2,3-Diamino-2,3-bis(hydroxymethyl)-1,4-butanediol

C6H16N2O4 (180.111)

Trimethyl(p-tolyloxy)silane

Trimethyl(m-tolyloxy)silane

Silane, trimethyl(o-tolyloxy)-

tert-Butyl 2-methoxyphenyl ether

L-Tyrosinamide

776-35-2

InChI=1\C14H12\c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13\h1-8H,9-10H

3-BHA

InChI=1\C11H16O2\c1-11(2,3)9-7-8(13-4)5-6-10(9)12\h5-7,12H,1-4H

Amino (2S)-2-amino-3-phenylpropanoate

Amino (2S)-2-amino-3-phenylpropanoic acid

1-Ammonio-1-deoxy-scyllo-inositol

2-ammonio-2-deoxy-D-glucopyranose

An ammonium ion that is the conjugate acid of 2-amino-2-deoxy-D-glucopyranose. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

p-Aminophenylalanine

7-Ammoniomethyl-7-deazaguanine

C7H10N5O+ (180.0885)

Mannojirimycin

2-Deoxy-2-ammonio-D-galactopyranose

3-amino-3-deoxy-D-glucopyranose(1+)

(2R,3R,4S,5S)1,3,4,5-tetrahydroxy-6-oxohexan-2-aminium

2-Aminogalactopyranose

2-ammonio-2-deoxy-beta-D-glucopyranose

5-Amino-5-deoxy-D-glucopyranose

D-Galactosylamine

5-Amino-5-deoxy-D-galactopyranoside

2-Deoxy-2-ammonio-D-mannopyranose

2-Ammonio-2-deoxy-alpha-D-glucopyranose

[(1R,3S,4R,6S)-3-azaniumyl-2,4,5,6-tetrahydroxycyclohexyl]azanium

C6H16N2O4+2 (180.111)

alpha-D-kanosamine(1+)

(Z,S)-jasmololone

(8E)-undeca-1,8-dien-5-yne-3,7-diol

6-Hydroxy-pseudooxy-nornicotine

A hydroxypyridine that is pyridine substituted by 4-aminobutanoyl and hydroxy groups at positions 3 and 6, respectively. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.

aldehydo-D-kanosamine(1+)

(R)-salsolinol(1+)

C10H14NO2+ (180.1024)

A secondary ammonium ion that is the conjugate acid of (R)-salsolinol obtained by protonation of the amino group; major species at pH 7.3.

1,3-Phenylenediamine, N-trimethylsilyl-

C9H16N2Si (180.1083)

1,2-Phenylenediamine, N-trimethylsilyl-

C9H16N2Si (180.1083)

1,3,7-Trimethyl-1,2,3,7-tetrahydro-6H-purine-6-one

Methyl exo-7-methylbicyclo(4.1.0)hept-2-EN-endo-7-acetate

Dulcin

5-Hydroxykynurenamine

A hydroxykynurenamine where the hydroxy group is located at the 5-position.

3-Hydroxykynurenamine

A hydroxykynurenamine that is kynurenamine carrying a hydroxy group at position 3. It is a metabolite of tryptophan that exhibits antiinflammatory and immunomodulatory properties. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

2-tert-Butyl-4-hydroxyanisole

C26170 - Protective Agent > C275 - Antioxidant

3-(3-Methoxyphenyl)propionic acid

3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.

10-hydroxy-(2E,8E)-decadien-4-ynoic Acid

A polyunsaturated fatty acid that is deca-2,8-dien-4-ynoic acid substituted at position 10 by a hydroxy group (the 2E,8E-geoisomer)

2,6-Dimethoxy-4-vinylphenol

4-Vinylsyringol is a phenolic compound with potential antioxidant activity, which can be isolated from rapeseed oil[1].

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

beta-D-glucosamine(1+)

C6H14NO5 (180.0872)

A 2-ammonio-2-deoxy-D-glucopyranose that has beta- configuration at the anomeric carbon.

2-ammonio-2-deoxy-D-galactopyranose

C6H14NO5 (180.0872)

A primary ammonium ion resulting from the protonation of the amino group of 2-amino-2-deoxy-D-galactopyranose. Major species at pH 7.3.

3-tert-Butyl-4-hydroxyanisole

An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.

4-Hydroxy-4-(4-hydroxyphenyl)-butan-2-one

trans-Stilbene

tert-Butylmethyl catechol

Dihydroconiferyl aldehyde

Undecatrienoic acid

Methoxybenzenepropanoic acid

Hydroxykynurenamine

2-methoxy-6-propylcyclohexa-2,5-diene-1,4-dione

(5s)-5-[(1e,3e)-5-oxohexa-1,3-dien-1-yl]oxolan-2-one

(6r)-6-[(2e)-4-oxopent-2-en-1-yl]-5,6-dihydropyran-2-one

5-methyl-5-(5-methylfuran-2-yl)oxolan-2-one

6-[(2z)-but-2-en-2-yl]-3-(hydroxymethyl)pyran-2-one

1-{3-[(1r)-1,2-dihydroxyethyl]phenyl}ethanone

methyl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate

methyl (2e,4e,6z)-deca-2,4,6-trienoate

1,2-dihydrophenanthrene

6-(3-propyloxiran-2-yl)pyran-2-one

3-(hydroxymethyl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol

methyl 2-[(1e)-2-(prop-1-en-2-yl)cyclopentylidene]acetate

4-(3-hydroxyprop-2-en-1-yl)-2-methoxyphenol

1-(butylsulfanyl)-4-methylbenzene

1,3r,8r-trihydroxydec-9-en-4,6-yne

{"Ingredient_id": "HBIN001294","Ingredient_name": "1,3r,8r-trihydroxydec-9-en-4,6-yne","Alias": "1,3r,8r-trihydroxydec-9-en-4,6-yne","Ingredient_formula": "C10H12O3","Ingredient_Smile": "C=CC(C#CC#CC(CCO)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21687","TCMSP_id": "NA","TCM_ID_id": "9954;9955;16237;16238","PubChem_id": "NA","DrugBank_id": "NA"}

2-(1'-hydroxy-2'-oxopropyl)-5-methylphenol

{"Ingredient_id": "HBIN003573","Ingredient_name": "2-(1'-hydroxy-2'-oxopropyl)-5-methylphenol","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15896","TCMID_id": "10580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2(4h)-benzofuranone,5,6,7,7a-tetrahydro-4,4,7a-trimethyl-

{"Ingredient_id": "HBIN004391","Ingredient_name": "2(4h)-benzofuranone,5,6,7,7a-tetrahydro-4,4,7a-trimethyl-","Alias": "NA","Ingredient_formula": "C11H16O2","Ingredient_Smile": "CC1(CCCC2(C1=CC(=O)O2)C)C","Ingredient_weight": "180.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9056","PubChem_id": "157995","DrugBank_id": "NA"}

2-[4-(methoxymethyl)phenyl]acetic acid

ST5407727; 2-[4-(methoxymethyl)phenyl]ethanoic acid

{"Ingredient_id": "HBIN004430","Ingredient_name": "2-[4-(methoxymethyl)phenyl]acetic acid","Alias": "ST5407727; 2-[4-(methoxymethyl)phenyl]ethanoic acid","Ingredient_formula": "C10H12O3","Ingredient_Smile": "COCC1=CC=C(C=C1)CC(=O)O","Ingredient_weight": "180.2 g/mol","OB_score": "82.65706876","CAS_id": "NA","SymMap_id": "SMIT12031","TCMID_id": "NA","TCMSP_id": "MOL011079","TCM_ID_id": "NA","PubChem_id": "22988428","DrugBank_id": "NA"}

4-methyl-2,5-dimethoxybenzaldehyde

{"Ingredient_id": "HBIN010663","Ingredient_name": "4-methyl-2,5-dimethoxybenzaldehyde","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "CC1=CC(=C(C=C1OC)C=O)OC","Ingredient_weight": "180.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40856","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "602019","DrugBank_id": "NA"}

4-tert-Butyl-O-thiocresol

{"Ingredient_id": "HBIN010924","Ingredient_name": "4-tert-Butyl-O-thiocresol","Alias": "NA","Ingredient_formula": "C11H16S","Ingredient_Smile": "CC1=C(C=CC(=C1)C(C)(C)C)S","Ingredient_weight": "180.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "84988","DrugBank_id": "NA"}

5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-lsoben-zofurandione

{"Ingredient_id": "HBIN011147","Ingredient_name": "5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-lsoben-zofurandione","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "CC1=C(CC2C(C1)C(=O)OC2=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15179","TCMID_id": "6411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one

(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 81800-41-1

{"Ingredient_id": "HBIN013057","Ingredient_name": "(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one","Alias": "(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 81800-41-1","Ingredient_formula": "C11H16O2","Ingredient_Smile": "CC1(CCCC2(C1=CC(=O)O2)C)C","Ingredient_weight": "180.24","OB_score": "36.83663917","CAS_id": "81800-41-1","SymMap_id": "SMIT03823","TCMID_id": "NA","TCMSP_id": "MOL001387","TCM_ID_id": "NA","PubChem_id": "157995","DrugBank_id": "NA"}

Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone

2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698