Exact Mass: 208.0442
Exact Mass Matches: 208.0442
Found 500 metabolites which its exact mass value is equals to given mass value 208.0442,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fraxetin
Fraxetin is a hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. It has a role as an Arabidopsis thaliana metabolite, an antimicrobial agent, an apoptosis inhibitor, an apoptosis inducer, an antioxidant, an anti-inflammatory agent, a hepatoprotective agent, an antibacterial agent and a hypoglycemic agent. It is a hydroxycoumarin and an aromatic ether. Fraxetin is a natural product found in Santolina pinnata, Campanula dolomitica, and other organisms with data available. A hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.550 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.542 Fraxetin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=574-84-5 (retrieved 2024-06-28) (CAS RN: 574-84-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Fraxetin is isolated from Fraxinus rhynchophylla Hance. Fraxetin has antitumor, anti-oxidation effects and anti-inflammory effects. Fraxetin induces apoptosis[1]. Fraxetin is isolated from Fraxinus rhynchophylla Hance. Fraxetin has antitumor, anti-oxidation effects and anti-inflammory effects. Fraxetin induces apoptosis[1].
2-Naphthalenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3266; ORIGINAL_PRECURSOR_SCAN_NO 3264 CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3270; ORIGINAL_PRECURSOR_SCAN_NO 3268 CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3298; ORIGINAL_PRECURSOR_SCAN_NO 3294 CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3290; ORIGINAL_PRECURSOR_SCAN_NO 3285 CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3285; ORIGINAL_PRECURSOR_SCAN_NO 3282 CONFIDENCE standard compound; INTERNAL_ID 1273; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3292; ORIGINAL_PRECURSOR_SCAN_NO 3289 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3356; ORIGINAL_PRECURSOR_SCAN_NO 3352 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3363; ORIGINAL_PRECURSOR_SCAN_NO 3361 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3353; ORIGINAL_PRECURSOR_SCAN_NO 3350 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3351; ORIGINAL_PRECURSOR_SCAN_NO 3348 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3344; ORIGINAL_PRECURSOR_SCAN_NO 3341 CONFIDENCE standard compound; INTERNAL_ID 626; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3371; ORIGINAL_PRECURSOR_SCAN_NO 3368 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8811 CONFIDENCE standard compound; EAWAG_UCHEM_ID 653 CONFIDENCE standard compound; INTERNAL_ID 2300
9,10-Phenanthrenequinone
CONFIDENCE standard compound; INTERNAL_ID 19 D009676 - Noxae > D009153 - Mutagens
Dihydrolipoate
Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki). Inside the cell, alpha lipoic acid is readily reduced or broken down to dihydrolipoic acid. Dihydrolipoic acid is even more potent than alpha lipoic acid, neutralizing free radicals, preventing them from causing harm. It directly destroys damaging superoxide radicals, hydroperoxy radicals and hydroxyl radicals. It has been shown in vitro that dihydrolipoate (DL-6,8-dithioloctanoic acid) has antioxidant activity against microsomal lipid peroxidation.Dihydrolipoate is tested for its neuroprotective activity using models of hypoxic and excitotoxic neuronal damage in vitro and rodent models of cerebral ischemia in vivo. Dihydrolipoate, similarly to dimethylthiourea, is able to protect neurons against ischemic damage by diminishing the accumulation of reactive oxygen species within the cerebral tissue.(PMID: 1345759). Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki) D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 162
Anthraquinone
Anthraquinone is used as a precursor for dye formation. Anthraquinone is used as a precursor for dye formation.
1-Naphthalenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3245; ORIGINAL_PRECURSOR_SCAN_NO 3243 CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3240; ORIGINAL_PRECURSOR_SCAN_NO 3236 CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3158; ORIGINAL_PRECURSOR_SCAN_NO 3156 CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3242; ORIGINAL_PRECURSOR_SCAN_NO 3238 CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3240; ORIGINAL_PRECURSOR_SCAN_NO 3238 CONFIDENCE standard compound; INTERNAL_ID 755; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3154; ORIGINAL_PRECURSOR_SCAN_NO 3151
Garcinia acid
Garcinia acid is found in fruits. Garcinia acid is isolated from Garcinia atroviridis (gelugor), Garcinia indica (kokam) and Garcinia cambogi (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive and orally active inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive and orally active inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2].
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is found in green vegetables. (+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is a constituent of Ferula assa-foetida (asafoetida) Constituent of Ferula assa-foetida (asafoetida). (+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is found in herbs and spices and green vegetables.
Methyl 5-(1-Propynyl)-2-thiophenepropanoate
Methyl 5-(1-Propynyl)-2-thiophenepropanoate is found in herbs and spices. Methyl 5-(1-Propynyl)-2-thiophenepropanoate is isolated from Artemisia absinthium (wormwood) roo Isolated from Artemisia absinthium (wormwood) root. Methyl 5-(1-Propynyl)-2-thiophenepropanoate is found in herbs and spices.
Cysteinyl-Serine
Cysteinyl-Serine is a dipeptide composed of cysteine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylcysteine
Serylcysteine is a dipeptide composed of serine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Methyl-5-pentyl-1,2,4-trithiolane
3-Methyl-5-pentyl-1,2,4-trithiolane is found in animal foods. 3-Methyl-5-pentyl-1,2,4-trithiolane is a component of fried food model systems. 3-Methyl-5-pentyl-1,2,4-trithiolane is a constituent of various cooked meat aromas. Component of fried food model systems. Constituent of various cooked meat aromas. 3-Methyl-5-pentyl-1,2,4-trithiolane is found in animal foods.
Aminofurantoin
Aminofurantoin is a metabolite of nitrofurantoin. Nitrofurantoin is an antibiotic which is marketed under the following brand names; Urifast 100mg (The BID Nitrofurantoin, Brand of Cipla Uro1)Niftran, Furadantin, Furabid, Macrobid, Macrodantin, Nitrofur Mac, Nitro Macro, Nifty-SR, Martifur-MR, Martifur-100 (in India), Urantoin, and Uvamin (in Middle East). It is usually used in treating urinary tract infection. It is often used against E. coli. (Wikipedia)
Lanthionine
Lanthionine is a nonproteinogenic amino acid with the chemical formula (HOOC-CH(NH2)-CH2-S-CH2-CH(NH2)-COOH). It is typically formed by a cysteine residue and a dehydrated serine residue. Despite its name, lanthionine does not contain the element lanthanum. Lanthionine belongs to the class of organic compounds known as L-cysteine-S-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated. Lanthionine is a uremic toxin (PMID: 30087103). In 1941, lanthionine was first isolated by treating wool with sodium carbonate. It was found to be a sulfur-containing amino acid; accordingly it was given the name lanthionine [wool (Latin: Lana), sulfur (Greek: theîon)].[1] Lanthionine was first synthesized by alkylation of cysteine with β-chloroalanine.[2] Lanthionines are found widely in nature. They have been isolated from human hair, lactalbumin, and feathers. Lanthionines have also been found in bacterial cell walls and are the components of a group of gene-encoded peptide antibiotics called lantibiotics, which includes nisin (a food preservative), subtilin, epidermin (effective against Staphylococcus and Streptococcus), and ancovenin (an enzyme inhibitor).[3][4] L-Lanthionine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=922-55-4 (retrieved 2024-06-29) (CAS RN: 922-55-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one
4-O-Methylglucuronic acid
4-o-methylglucuronic acid belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 4-o-methylglucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-methylglucuronic acid can be found in cashew nut and european plum, which makes 4-o-methylglucuronic acid a potential biomarker for the consumption of these food products.
2-carboxy-L-threo-pentonate
2-carboxy-l-threo-pentonate, also known as 2-carboxy-L-xylonate or 2-hydroxy-2-(1,2,3-trihydroxypropyl)propanedioate, is a member of the class of compounds known as hydroxy fatty acids. Hydroxy fatty acids are fatty acids in which the chain bears a hydroxyl group. 2-carboxy-l-threo-pentonate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxy-l-threo-pentonate can be found in a number of food items such as star anise, chinese chestnut, passion fruit, and persimmon, which makes 2-carboxy-l-threo-pentonate a potential biomarker for the consumption of these food products.
6,7-dihydro-1H-[1,4]dioxino[2,3:4,5]benzo[d]imidazole-2-thiol
(E)-ferulatrisulfide|1-sec-butyl -2-[(E)-3-(methylthio) prop-1-enyl]disulfane|1-sec-butyl-2-[(E)-3-(methylthio)prop-1-enyl]disulphane
O2-methyl-D-galacturonic acid|O2-Methyl-D-galacturonsaeure
4-O-Methyl-D-glucuronsaeure|O3-methyl-D-glucuronic acid|O3-Methyl-D-glucuronsaeure
Lanthionine
An alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage.
(Z,Z)-3-[5-(1-Propenyl)2-thienyl]-2-propenoic acid|cis,cis-5-(Propen-(1)-yl)-2-(2-methoxycarbonylvinyl-(1))-thiophen|cis,cis-5--2-<2-methoxycarbonylvinyl-(1)>-thiophen
Hydroxycitric_acid
Garcinia acid is a carbonyl compound. See also: Garcinia gummi-gutta fruit (part of). (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive and orally active inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive and orally active inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2]. (-)-Hydroxycitric acid (Garcinia acid) is the principal acid of fruit rinds of Garcinia cambogia. (-)-Hydroxycitric acid is a potent and competitive inhibitor of ATP citrate lyase. (-)-Hydroxycitric acid suppresses the fatty acid synthesis, lipogenesis, food intake, and induced weight loss[1][2].
Anthraquinone
Anthraquinone appears as yellow crystals or powder. (NTP, 1992) 9,10-anthraquinone is an anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. Anthraquinone is a natural product found in Annona muricata, Casearia membranacea, and other organisms with data available. Anthraquinone is a polycyclic aromatic hydrocarbon derived from anthracene or phthalic anhydride. Anthraquinone is used in the manufacture of dyes, in the textile and pulp industries, and as a bird repellant. Compounds based on ANTHRACENES which contain two KETONES in any position. Substitutions can be in any position except on the ketone groups. Anthraquinone is used as a precursor for dye formation. Anthraquinone is used as a precursor for dye formation.
7,8-dihydroxy-6-methoxychromen-2-one [IIN-based: Match]
7,8-dihydroxy-6-methoxychromen-2-one [IIN-based on: CCMSLIB00000845657]
Cys-ser
A dipeptide composed of L-cysteine and L-serine joined by a peptide linkage.
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide
6-FLUORO-4-HYDROXY-2-OXO-2H-CHROMENE-3-CARBALDEHYDE
5-(2-CHLOROPHENYL)-2,4-DIHYDRO-2-METHYL-3H-PYRAZOL-3-ONE
3-Amino-5-fluoro-1H-indole-2-carboxylic acid methyl ester
2,3-DIHYDRO-2-THIOXO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID METHYL ESTER
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
6-methoxy-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
1-[2-(5-METHYL-3-ISOXAZOLYL)-1,3-THIAZOL-4-YL]-1-ETHANONE
3-Fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
1-BENZYL-2-CHLOROMETHYL-1H-BENZOIMIDAZOLE HYDROCHLORIDE
3-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPIONITRILE
2-CHLOROMETHYL-8-METHYL-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
2-PYRID-3-YL-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
(2-FLUORO-3-METHYL-6-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE
2-(3-OXO-2H-PYRIDO[3,2-B][1,4]OXAZIN-4(3H)-YL)ACETIC ACID
5-(5-ISOXAZOLYL)-4-METHOXYCARBONYL-3-METHYLISOXAZOLE
2-(chloromethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
4(1H)-Pteridinone,2,3-dihydro-6,7-dimethyl-2-thioxo-
3-(4-Fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
2-(2,1,3-Benzoxadiazol-5-yloxy)-N-hydroxyethanimidamide
1-[5-(3-HYDROXY-3-METHYLBUT-1-YNYL)-2-THIENYL]ETHAN-1-ONE
ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
4-hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid
3-METHYL-5-(5-METHYLISOXAZOL-3-YL)ISOXAZOLE-4-CARBOXYLIC ACID
Ethyl 5-hydroxyfuro[2,3-d]pyrimidine-6-carboxylate
1-VINYL-3-(CHLOROMETHYL)-1,1,3,3-TETRAMETHYLDISILOXANE
Pyridazine,3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-
4-(chloromethyl)-1-methyl-2-(trifluoromethyl)benzene
6,7-dihydroxy-1-oxo-2,3-dihydroindene-4-carboxylic acid
2-(CHLOROMETHYL)-6-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
ETHYL4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLATE
(E)-N-HYDROXY-2-(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETIMIDAMIDE
3-(3-FURAN-2-YL-[1,2,4]OXADIAZOL-5-YL)-PROPIONIC ACID
5-AMINO-2-METHYL-BENZENEMETHANAMINE DIHYDROCHLORIDE
ETHYL 4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-5-CARBOXYLATE
4-METHYL-5-THIOPHEN-2-YL-2H-PYRAZOLE-3-CARBOXYLIC ACID
5-(4-CHLOROPHENYL)-2,4-DIHYDRO-2-METHYL-3H-PYRAZOL-3-ONE
N-(4-methyl-1,3-thiazol-2-yl)imidazole-1-carboxamide
Betahistine Dihydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine dihydrochloride is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine dihydrochloride is used for the study of rheumatoid arthritis (RA)[3].
6-(4-chlorophenyl)-4,5-dihydropyridazin-3(2H)-one
5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
2-(CHLOROMETHYL)-7-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
2-Chloro-1-(2-methyl-1H-benzimidazol-1-yl)ethanone
Thieno[3,2-b]pyridine-3-carboxylic acid, 2-amino-, methyl ester (9CI)
2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
2-Benzothiazolecarboxamide,4-methoxy-(7CI,8CI,9CI)
(5-BROMO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-ACETIC ACID
Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
2-(Chloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole
7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLIC ACID
(5-Methyl-3-trifluoromethylpyrazol-1-yl)acetic acid
5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
3-Fluoro-6-(trifluoromethyl)-2-pyridinecarboxamide
2-ETHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
5-(Chloromethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
3-(Chloromethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
2-(BENZO[B]THIOPHEN-2-YL)-2-OXOACETALDEHYDE HYDRATE
1-(2-CHLOROBENZYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLICACID
N-Hydroxy-2-(3-trifluoromethyl-pyrazol-1-yl)-acetamidine
2-(trifluoromethyl)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
2-chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole
2,3-Naphthalenedicarbonitrile,1,4-dihydro-1,4-dioxo-
5-Fluoro-1H-indazole-3-carboxylic acid ethyl ester
Ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
Hydrazine,(5-chloro-2-methoxyphenyl)-, hydrochloride (1:1)
3-Amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
7-Fluoro-3,4-dihydro-4-methyl-1h-1,4-benzodiazepine-2,5-dione
4-(METHYLTHIO)-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID
4-(METHYLTHIO)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
Meso-lanthionine
The meso-isomer of lanthionine. It is a key constituent of bacterial peptidoglycan type A51 and A3delta.
2-amino-4-oxo-7,8-dihydro-1H-pteridine-6-carboxamide
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
Methyl(6S)-1-thio-L-manno-hexodialdo-6,2-pyranoside
(2S)-2-azaniumyl-3-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylpropanoate
N,N-dihydroxydihomomethioninate
Conjugate base of N,N-dihydroxydihomomethionine.
1,3-Dimethyl-2H-pyrimido(1,2-A)(1,3,5)triazine-2,4,8-(1H,3H)-trione
(R)-dihydrolipoic acid
The (R)-enantiomer and bioactive form of dihydrolipoic acid.
Galactarate(2-)
A dicarboxylic acid dianion that is the conjugate base of galactarate(1-).
L-lanthionine dizwitterion
An L-alpha-amino acid zwitterion that is the dizwitterionic form of L-lanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3.
methyl beta-D-glucuronoside
A derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position.
Dihydrolipoic acid
A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. D020011 - Protective Agents > D000975 - Antioxidants
D-mannarate(2-)
A mannarate(2-) that is the dianion obtained by the deprotonation of the carboxy groups of D-mannaric acid.
L-mannarate(2-)
A mannarate(2-) that is the dianion obtained by the deprotonation of the carboxy groups of L-mannaric acid.
4,6,8-trihydroxy-3-methylidene-4h-2-benzopyran-1-one
methoxy((1-methyl-4-oxo-5h-imidazol-2-yl)oxy)phosphinic acid
methyl (2s,3s,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate
[(1r)-4-hydroxy-3-oxo-1h-2-benzofuran-1-yl]acetic acid
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 7-me ether
{"Ingredient_id": "HBIN011113","Ingredient_name": "5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 7-me ether","Alias": "NA","Ingredient_formula": "C10H8O5","Ingredient_Smile": "NA","Ingredient_weight": "208.17","OB_score": "NA","CAS_id": "50656-75-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7724","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,8-trihydroxy-2-methyl-chromone
{"Ingredient_id": "HBIN011250","Ingredient_name": "5,7,8-trihydroxy-2-methyl-chromone","Alias": "5,7,8-trihydroxy-2-methyl-4-chromenone; 56100-43-7; 5,7,8-trihydroxy-2-methylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7,8-trihydroxy-2-methyl-; 5,7,8-trihydroxy-2-methyl-chromen-4-one; 5,7,8-Trihydroxy-2-methyl-4H-1-benzopyran-4-one","Ingredient_formula": "C10H8O5","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)O","Ingredient_weight": "208.17","OB_score": "41.21164973","CAS_id": "56100-43-7","SymMap_id": "SMIT13990","TCMID_id": "NA","TCMSP_id": "MOL013324","TCM_ID_id": "NA","PubChem_id": "5488208","DrugBank_id": "NA"}
