Exact Mass: 234.0248
Exact Mass Matches: 234.0248
Found 500 metabolites which its exact mass value is equals to given mass value 234.0248,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dichlorprop
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8393 CONFIDENCE standard compound; EAWAG_UCHEM_ID 270
Riluzole
Riluzole is only found in individuals that have used or taken this drug. It is a glutamate antagonist (receptors, glutamate) used as an anticonvulsant (anticonvulsants) and to prolong the survival of patients with amyotrophic lateral sclerosis. [PubChem]The mode of action of riluzole is unknown. Its pharmacological properties include the following, some of which may be related to its effect: 1) an inhibitory effect on glutamate release (activation of glutamate reuptake), 2) inactivation of voltage-dependent sodium channels, and 3) ability to interfere with intracellular events that follow transmitter binding at excitatory amino acid receptors. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents N - Nervous system Riluzole is an anticonvulsant agent and belongs to the family of use-dependent Na+ channel blocker which can also inhibit GABA uptake with an IC50 of 43 μM.
Ajoene
Ajoene is found in onion-family vegetables. Ajoene is isolated from garlic (Allium sativum) extracts. Nutriceutical with anti-cancer properties Ajoene is a chemical compound available from garlic (Allium sativum). The name (and pronunciation) is derived from "ajo", the Spanish word for garlic. It is found as a mixture of two isomers, E-, and Z- 4,5,9-trithiadodeca-1,6,11-triene 9-oxide. Ajoene, an unsaturated disulfide, is formed from the bonding of three allicin molecules. Allicin is a sulfinyl compound that gives garlic its strong odor and flavor. The release of allicin occurs after a garlic clove is crushed or finely chopped. Subsequent formation of ajoene occurs when allicin is dissolved in various solvents including edible oils. Ajoene is also found in garlic extract. Ajoene is most stable and most abundant in macerate of garlic (chopped garlic in edible oil) Ajoene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R (R,R not H). Ajoene is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Ajoene can be found in garlic, onion-family vegetables, and soft-necked garlic, which makes ajoene a potential biomarker for the consumption of these food products. The name (and pronunciation) is derived from "ajo", the Spanish word for garlic. It is found as a mixture of up to four isomers, which differ in terms of the stereochemistry of central alkene (E- vs Z-) and the chirality of the sulfoxide . D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate
4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol
4-[2,2-Bithiophen-5-yl]-3-butyn-1-ol is found in herbs and spices. 4-[2,2-Bithiophen-5-yl]-3-butyn-1-ol is a constituent of the roots of Tagetes minuta (Mexican marigold), Tagetes species Constituent of the roots of Tagetes minuta (Mexican marigold), Tagetes subspecies 4-[2,2-Bithiophen-5-yl]-3-butyn-1-ol is found in herbs and spices.
Chinomethionat
D016573 - Agrochemicals D010575 - Pesticides
2-O,3-dimethylflaviolin
A member of the class of naphthoquinones that is 2-O-methylflaviolin in which the hydrogen at position 3 is replaced by a methyl group.
Scopoletin acetate
7-Acetoxy-6-methoxycoumarin is a member of coumarins. 6-Methoxy-2-oxo-2H-chromen-7-yl acetate is a natural product found in Artemisia granatensis with data available. 7-Acetoxy-6-methoxycoumarin is a constituent of Sterculia urens (karaya gum) Constituent of Sterculia urens (karaya gum).
Cyclobrassinin
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii. Cyclobrassinin is found in many foods, some of which are chinese cabbage, brassicas, chinese mustard, and swede. Cyclobrassinin is found in brassicas. Cyclobrassinin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii.
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. Constituent of Rheum species 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.
p-Chlorobenzene sulfonyl urea
p-Chlorobenzene sulfonyl urea is only found in individuals that have used or taken Chlorpropamide.p-Chlorobenzene sulfonyl urea is a metabolite of Chlorpropamide. P-chlorobenzene sulfonyl urea belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Acetyl citrate
This compound belongs to the family of Beta Hydroxy Acids and Derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom
Arctinol A
Arctinol a is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinol a can be found in burdock, which makes arctinol a a potential biomarker for the consumption of this food product.
Potassium gluconate
Dietary supplement (potassium), sequestrant. Potassium gluconate is a mineral supplement and sequestrant. Dietary supplement (potassium), sequestrant
2-(4'-methylthio)butylmalate
2-(4-methylthio)butylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(4-methylthio)butylmalate can be found in a number of food items such as fenugreek, chinese cinnamon, kumquat, and rapini, which makes 2-(4-methylthio)butylmalate a potential biomarker for the consumption of these food products.
3-(4'-methylthio)butylmalate
3-(4-methylthio)butylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(4-methylthio)butylmalate can be found in a number of food items such as broccoli, yellow zucchini, pepper (spice), and sesbania flower, which makes 3-(4-methylthio)butylmalate a potential biomarker for the consumption of these food products.
1,4-Naphthalenedione, 3,6-dihydroxy-5-methoxy-2-methyl-
4-Amino-1-(2-furylmethyl)-2-(methylthio)-1H-imidazole-5-carbonitrile
1-(5-thiophen-2-ylethynyl-thiophen-2-yl)-ethanol|2-(1-Hydroxy-aethyl)-5--thiophen|2-(1-Hydroxyaethyl)-5-<(2-thienyl)aethinyl>thiophen|alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
Armillarisin A
Armillarisin A has the potential for the ulcerative colitis (UC) study. Armillarisin A increases IL-4 and lower IL-1β[1]. Armillarisin A has the potential for the ulcerative colitis (UC) study. Armillarisin A increases IL-4 and lower IL-1β[1].
5,7-dihydroxy-8-methoxy-2-methyl-1,4-naphthoquinone
5-(1-propynyl)-2,2-bithiophene-5-methanol|Arctinol A|arctinol-a
2,5-dihydroxy-3-methoxy-7-methylnaphtho-1,4-quinone
5,8-Dihydroxy-2-methoxy-3-methyl-[1,4]naphthochinon|5,8-dihydroxy-2-methoxy-3-methyl-[1,4]naphthoquinone|5,8-dihydroxy-3-methoxy-2-methyl-1,4-naphthoquinone|5,8-dihydroxy-3-methoxy-2-methylnaphthalene-1,4-dione
(Z)-3-Brom-2-heptencarbonsaeureethylester|ethyl Z-3-bromo-2-heptenoate
2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene
3-Hydroxy-4-(1,3-benzodioxole-5-ylmethyl)furan-2(5H)-one
6-(2,4-Dihydroxy-6-methylphenyl)-4-hydroxy-2-pyrone
Ajoene
(E)-Ajoene is a sulfoxide. Ajoene is a natural product found in Allium and Allium sativum with data available. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
riluzole
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents N - Nervous system Riluzole is an anticonvulsant agent and belongs to the family of use-dependent Na+ channel blocker which can also inhibit GABA uptake with an IC50 of 43 μM.
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic acid
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-hydroxy-9-methoxy-
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo-
5-(Carboxymethyl)-7-hydroxy-2-methylchromone
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetic acid
(3S)-2,4,5-trifluoro-3-hydroxybenzenebutanoic acid
2-Propenamide, N-[[ (3-bromo-1-oxopropyl)amino]methyl-
(2,5-DIOXO-1-PHENYL-IMIDAZOLIDIN-4-YL)-ACETIC ACID
4-(4-(OXIRAN-2-YLMETHOXY)PHENYL)-1,2,3-THIADIAZOLE
2-(4-pyridinyl)-4-thiazolecarboxylic acid ethyl ester
4-Thiazolecarboxylicacid,2-amino-5-phenyl-,methylester
4-(Trifluoromethoxy) benzeneacetic acid Methyl ester
ALPHA-BROMO-CYCLOPENTANEPROPANOIC ACID METHYL ESTER
6,7-dimethoxy-1-oxo-2,3-dihydroindene-4-carboxylic acid
4-METHYLPIPERAZINE-1-SULFONYL CHLORIDE HYDROCHLORIDE
Potassium Gluconate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12B - Potassium > A12BA - Potassium C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
2-Chloro-5-methyl-4-(methylsulphonyl)phenylhydrazine
2-(4-Chlorobenzoyl)-3-(dimethylamino)acrylonitrile
5-Chloro-4-hydroxy-8-methoxy-3-quinolinecarbonitrile
2-(2-METHOXY-6-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
ethyl 2-[5-(trifluoromethyl)pyrimidin-2-yl]acetate
(2R,4S)-REL-2,4-DIAMINOPENTANEDIOIC ACID DIHYDROCHLORIDE
2,3-difluoro-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
4-(Methylsulfonyl)benzenecarboximidamide hydrochloride
1-chloro-6-(5-ethynylthiophen-2-yl)hexa-3,5-diyn-2-ol
2-(3-METHOXY-4-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
2-(3-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
1-[5-(4-chlorophenyl)-2-methyl-3-furyl]ethan-1-one
4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione
ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
3-(DIMETHYLAMINO)-2-(3-CHLOROBENZOYL)ACRYLONITRILE
1-[2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone
[(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate
Pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
(2S,4S)-2,4-diaminopentanedioic acid,dihydrochloride
6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
4-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-THIAZOL-2-YLAMINE
4-(2-amino-thiazol-4-yl)-benzoic acid methyl ester
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid,hydrochloride
1-(3-chloroprop-2-ynoxy)-2-(trifluoromethyl)benzene
2,3-Dihydro-6-(3-methoxyphenyl)-2-thioxo-4(1H)-Pyrimidinone
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
Dimethyl Pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
5-(trifluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
methyl 4-(3-aminophenyl)-1,3-thiazole-2-carboxylate
3-AMINO-3-(3,5-DICHLORO-PYRIDIN-4-YL)-PROPIONIC ACID
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL)-CARBAMICACIDTERT-BUTYLESTER
ETHYL 4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
3-Quinolinecarbonitrile, 4-chloro-6-hydroxy-7-Methoxy-
6-Nitro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
ethyl-2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
2-PYRIDIN-2-YL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
2-THIAZOLAMINE, 4-(5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-
3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE
5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl chloride
4-propan-2-yl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
Methisazone
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AA - Thiosemicarbazones D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)(cyclobutyl)methanone
6,7,8,9-Tetrahydro-5H-imidazo[1,2-a]azepine-3-sulfonyl chloride
2-(CHLOROMETHYL)[1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE
2-amino-2-{4-[(trifluoromethyl)oxy]phenyl}acetamide
(2R,4R)-2,4-DIAMINOPENTANEDIOIC ACID DIHYDROCHLORIDE
7,7-difluorooctahydropyrrolo[1,2-a]pyrazine dihydrochloride
5-Trifluoromethyl-pyridine-2-carboxylic acid methoxy-methyl-amide
2-(CHLOROMETHYL)-6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE
2-METHYL-6-(TRIFLUOROMETHYL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
n-hydroxy-2-[3-(trifluoromethyl)phenoxy]ethanimidamide
3-(DIMETHYLAMINO)-2-(2-CHLOROBENZOYL)ACRYLONITRILE
3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
(E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
2-(4-METHOXY-3-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
Aluminium acetotartrate
S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives
2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)hexa-2,4-dienoate
N-Cyclopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
2-[(4-Chlorophenyl)methyl]-6-methylpyridazin-3-one
Ethyl 9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
(2S)-2-Amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-YL)butane-1,1-diol
[3-Azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
2-[2-(2-Azaniumylethoxy)-2-oxoethyl]-2-hydroxybutanedioate
(2Z,4E)-2-hydroxy-6-oxo-6-phenoxyhexa-2,4-dienoic acid
4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
(E)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
2-[(4-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(7-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(6-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
(Z)-Ajoene
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
6,8-dihydroxy-3-(2-oxopropyl)-isocoumarin
A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl group at position 3 and by hydroxy groups at positions 6 and 8.
MK-212 (monohydrochloride)
MK-212 (CPP) monohydrochloride is a centrally acting 5-HT1C/5-HT2 agonist. MK-212 monohydrochloride can stimulate phosphoinositide hydrolysis in cerebral cortex[1].
4-(oxiran-2-yl)-2-[(2e)-5-oxofuran-2-ylidene]but-3-yn-1-yl acetate
5-{[(5-formylfuran-2-yl)methoxy]methyl}furan-2-carbaldehyde
3,6-dihydroxy-5-methoxy-2-methylnaphthalene-1,4-dione
2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylic acid
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-hydroxy-5h-furan-2-one
(2r)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene
{"Ingredient_id": "HBIN005414","Ingredient_name": "2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene","Alias": "4-(5-buta-1,3-diynylthiophen-2-yl)-1-chlorobut-3-yn-2-ol; AC1NST6U; 2-(buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl)thiophene","Ingredient_formula": "C12H7ClOS","Ingredient_Smile": "C#CC#CC1=CC=C(S1)C#CC(CCl)O","Ingredient_weight": "234.71","OB_score": "29.6128359","CAS_id": "NA","SymMap_id": "SMIT00882","TCMID_id": "2776","TCMSP_id": "MOL003376","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(5-butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol
{"Ingredient_id": "HBIN009996","Ingredient_name": "4-(5-butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol","Alias": "NA","Ingredient_formula": "C12H7ClOS","Ingredient_Smile": "NA","Ingredient_weight": "234.7","OB_score": "NA","CAS_id": "26905-71-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7963","PubChem_id": "NA","DrugBank_id": "NA"}
armillarisin b
{"Ingredient_id": "HBIN016860","Ingredient_name": "armillarisin b","Alias": "NA","Ingredient_formula": "C12H10O5","Ingredient_Smile": "CC(=O)C1=CC2=C(C=C(C=C2CO)O)OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1743","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
