Exact Mass: 182.0368
Exact Mass Matches: 182.0368
Found 500 metabolites which its exact mass value is equals to given mass value 182.0368,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Methyluric acid
1-Methyluric acid is one of the three main theophylline metabolites in man. 1-Methyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152, 4039734, 9890610) [HMDB] 1-Methyluric acid is one of the three main theophylline metabolites in man. 1-Methyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline, and theobromine). Methyluric acids can be distinguished from uric acid via simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase, or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 superfamily, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis (PMID:11712316, 15833286, 3506820, 15013152, 4039734, 9890610).
7-Methyluric acid
7-Methyluric acid is the minor urinary metabolites of caffeine. Caffeine is metabolized mainly in the liver undergoing demethylation and oxidation. [HMDB] 7-Methyluric acid is the minor urinary metabolites of caffeine. Caffeine is metabolized mainly in the liver undergoing demethylation and oxidation.
9-Methyluric acid
9-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 9-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID:11712316, 15833286, 3506820, 15013152).
3-Methyluric acid
3-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 3-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152).
Dipropyl trisulfide
Dipropyl trisulfide is found in garden onion. Dipropyl trisulfide is a component of onion oil. Dipropyl trisulfide is a flavouring ingredient. Component of onion oil. Flavouring ingredient. Dipropyl trisulfide is found in garden onion and onion-family vegetables.
Ethyl 1-(ethylthio)ethyl disulfide
Ethyl 1-(ethylthio)ethyl disulfide is found in fruits. Ethyl 1-(ethylthio)ethyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl 1-(ethylthio)ethyl disulfide is found in fruits.
Ethyl 1-(methylthio)propyl disulfide
Ethyl 1-(methylthio)propyl disulfide is found in onion-family vegetables. Ethyl 1-(methylthio)propyl disulfide is a constituent of shallots (Allium cepa) and Chinese chives (Allium tuberosum). Constituent of shallots (Allium cepa) and Chinese chives (Allium tuberosum). Ethyl 1-(methylthio)propyl disulfide is found in garden onion and onion-family vegetables.
1,1'-Thiobis-1-propanethiol
1,1-Thiobis-1-propanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
Ethionamide sulphoxide
Ethionamide sulphoxide is a metabolite of ethionamide. Ethionamide (2-ethylthioisonicotinamide, Trecator SC) is an antibiotic used in the treatment of tuberculosis. Ethionamide works to induce expression of EthA, a NAD derivative which is toxic to fungi. The resistance mechanism of this drug is through EthR, resistance is common. Therefore, EthR inhibitors are of great interest. It is a prodrug. It has been proposed for use in combination with gatifloxacin. The action may be through disruption of mycolic acid. (Wikipedia)
1,2-Dinitroglycerin
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
6-[Ethoxy(mercapto)methylidene]-1-cyclohexa-2,4-dienone
Diisopropyl trisulfide
Diisopropyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Diisopropyl trisulfide is a garlic and sulfury tasting compound found in garden onion, which makes diisopropyl trisulfide a potential biomarker for the consumption of this food product.
2-(Buta-1,3-diynyl)-5-(but-3-en-1-ynyl) thiophene|2--5--thiophen|2-butadiynyl-5-but-3-en-1-ynyl-thiophene
1-Methyluric acid
An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine.
4-Nitroanthranilic acid
CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3787; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3808; ORIGINAL_PRECURSOR_SCAN_NO 3805 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3790; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3777; ORIGINAL_PRECURSOR_SCAN_NO 3775 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3856; ORIGINAL_PRECURSOR_SCAN_NO 3855 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3797; ORIGINAL_PRECURSOR_SCAN_NO 3793
3-METHYLORSELLINIC ACID
A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 3 is substituted by a methyl group.
1,3-DINITROGLYCERIN
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1,2-DINITROGLYCERIN
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
3-Hydroxy-4-methoxyphenylacetic acid
Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is extracted from urine at pH 2 by ethyl acetate. Isohomovanillic acid is not found in appreciable values in many normal human urines[1].
8-Chloro-6-Methyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLIC ACID
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1,6-dimethyl
6-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
(1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLICACIDETHYLESTER
7-Chloro-5-methyl-1H-pyrazolo[4,3-b]pyridin-3-amine
2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-5-one
4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid
2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
3-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
7-Chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane
5-(TRIFLUOROMETHYL)DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
2-amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Benzoic acid, 4-(aminoiminomethyl)-2-fluoro- (9CI)
4,6-difluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
7-Chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine
6-carbamoyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
acetamide, N-(2-fluorophenyl)-2-(hydroxyimino)-, (2E)-
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-fluoro- (9CI)
3-AMINO-6-METHYL-THIAZOLO[3,2-B][1,2,4]TRIAZIN-7-ONE
2-THIOXO-2,3,5,6,7,8-HEXAHYDROQUINAZOLIN-4(1H)-ONE
2-(methylsulfanyl)-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
6-OXO-1,6-DIHYDRO-PYRAZINE-2,3-DICARBOXYLIC ACID DIAMIDE
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-methoxy-3,5-dimethyl-
(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
HYKOP
Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1]. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].
AI3-28796
Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1]. Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1].
AIDS-018090
2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives. 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives.
AIDS-108197
Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4].
Argobyl
C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3]. Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3]. Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3].
93-07-2
Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3]. Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].
Coenzyme Q0
Coenzyme Q0 (CoQ0) is a potent, oral active ubiquinone compound can be derived from Antrodia cinnamomea. Coenzyme Q0 induces apoptosis and autophagy, suppresses of HER-2/AKT/mTOR signaling to potentiate the apoptosis and autophagy mechanisms. Coenzyme Q0 regulates NFκB/AP-1 activation and enhances Nrf2 stabilization in attenuation of inflammation and redox imbalance. Coenzyme Q0 has anti-angiogenic activity through downregulation of MMP-9/NF-κB and upregulation of HO-1 signaling[1][2][3].
4-Acetyl-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate
2-Amino-4-phosphonobutanoate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
(2R)-2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetaldehyde
4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
(E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid
(2R,6Z)-2-hydroxy-6-(hydroxymethylidene)-2,5-dimethylcyclohex-4-ene-1,3-dione
2-(2-Methylidenecyclopropyl)-3-oxobutanedioic acid
Phosphoric acid (E)-3-methyl-4-hydroxy-2-butenyl ester
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid
(R)-2-hydroxy-4-(hydroxymethylphosphinyl)butyric acid
3-[(1Z,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid
A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1Z,4R stereochemistry.
3-Methoxy-4-hydroxyphenylglycolaldehyde
A member of the class of glycolaldehydes that is 3,4-dihydroxymandelaldehyde in which the hydroxy group at position 4 is replaced by a methoxy group.
3-(2,3-dihydroxyphenyl)propanoic acid
A monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline.
Ubiquinone-0
A derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds.
Isohomovanillic acid
A member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is extracted from urine at pH 2 by ethyl acetate. Isohomovanillic acid is not found in appreciable values in many normal human urines[1].
Meta-hydroxyphenylhydracrylic Acid
A hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine.
5-Nitroanthranilic acid
An aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group.
3-(3,4-Dihydroxyphenyl)propanoic acid
A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity.
4-Pyridoxate
A pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group.
5-Pyridoxate
A pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group.
ethionamide S-oxide
A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide.
Methyl 2-(2,4-dihydroxyphenyl)acetate
Methyl 2-(2,4-dihydroxyphenyl)acetate, a phenolic ester, is isolated from Nigella damascena seeds with selective phytotoxic effects[1]. Methyl 2-(2,4-dihydroxyphenyl)acetate, a phenolic ester, is isolated from Nigella damascena seeds with selective phytotoxic effects[1].
2-hydroxy-6-(hydroxymethyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
(3ar,4s,6ar)-4-ethyl-3-methylidene-dihydro-3ah-furo[2,3-c]furan-2,6-dione
6-ethyl-3-methylidene-dihydro-3ah-furo[2,3-c]furan-2,4-dione
4-ethyl-3-methylidene-dihydro-3ah-furo[2,3-c]furan-2,6-dione
2-(1,3-butadiynyl)-5-(3-buten-1-ynyl)thiophene
{"Ingredient_id": "HBIN003528","Ingredient_name": "2-(1,3-butadiynyl)-5-(3-buten-1-ynyl)thiophene","Alias": "NA","Ingredient_formula": "C12H6S","Ingredient_Smile": "NA","Ingredient_weight": "182.24","OB_score": "NA","CAS_id": "26905-68-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9084","PubChem_id": "NA","DrugBank_id": "NA"}
2-(4-methoxyphenoxy)acetic acid
{"Ingredient_id": "HBIN004431","Ingredient_name": "2-(4-methoxyphenoxy)acetic acid","Alias": "NA","Ingredient_formula": "C9H10O4","Ingredient_Smile": "COC1=CC=C(C=C1)OCC(=O)O","Ingredient_weight": "182.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40647","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "74649","DrugBank_id": "NA"}
2,5-dihydroxyphenyl acetic acid methyl ester
{"Ingredient_id": "HBIN004637","Ingredient_name": "2,5-dihydroxyphenyl acetic acid methyl ester","Alias": "NA","Ingredient_formula": "C9H10O4","Ingredient_Smile": "COC(=O)C(C1=CC(=CC=C1)O)O","Ingredient_weight": "182.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "19019488","DrugBank_id": "NA"}
(2,6-dihydroxyphenyl)acetic acid,8ci; me ester
{"Ingredient_id": "HBIN004887","Ingredient_name": "(2,6-dihydroxyphenyl)acetic acid,8ci; me ester","Alias": "NA","Ingredient_formula": "C9H10O4","Ingredient_Smile": "NA","Ingredient_weight": "182.17","OB_score": "NA","CAS_id": "98831-62-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9803","PubChem_id": "NA","DrugBank_id": "NA"}
2-(buta-1,3-diynyl)-5-(but-3-en-1-ynyl) thiophene
{"Ingredient_id": "HBIN005415","Ingredient_name": "2-(buta-1,3-diynyl)-5-(but-3-en-1-ynyl) thiophene","Alias": "2-buta-1,3-diynyl-5-but-3-en-1-ynylthiophene; 2-(buta-1,3-diynyl)-5-(but-3-en-1-ynyl)thiophene; 2-(1,3-Butadiynyl)-5-(3-butene-1-ynyl)thiophene; AC1NST6R","Ingredient_formula": "C12H6S","Ingredient_Smile": "C=CC#CC1=CC=C(S1)C#CC#C","Ingredient_weight": "182.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14522","TCMID_id": "2775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5315560","DrugBank_id": "NA"}
(2s)-(o-hydroxyphenyl)lactate
{"Ingredient_id": "HBIN006818","Ingredient_name": "(2s)-(o-hydroxyphenyl)lactate","Alias": "NA","Ingredient_formula": "C9H10O4","Ingredient_Smile": "C1=CC(=CC=C1CC(C(=O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10625","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy-4-hydroxybenzoic acid
{"Ingredient_id": "HBIN008512","Ingredient_name": "3-ethoxy-4-hydroxybenzoic acid","Alias": "NA","Ingredient_formula": "C9H10O4","Ingredient_Smile": "CCOC1=C(C=CC(=C1)C(=O)O)O","Ingredient_weight": "182.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33762","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "95085","DrugBank_id": "NA"}
