Exact Mass: 264.0761952
Exact Mass Matches: 264.0761952
Found 500 metabolites which its exact mass value is equals to given mass value 264.0761952,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Perlolyrine
Alkaloid from Korean ginseng and Japanese soy sauce. Perlolyrine is found in saffron, soy bean, and herbs and spices. Perlolyrine is found in herbs and spices. Perlolyrine is an alkaloid from Korean ginseng and Japanese soy sauc
1'-Acetoxyeugenol acetate
1-Acetoxyeugenol acetate is found in herbs and spices. 1-Acetoxyeugenol acetate is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 1-Acetoxyeugenol acetate is found in herbs and spices.
Sulfamerazine
Sulfamerazine is only found in individuals that have used or taken this drug.It is a sulfanilamide that is used as an antibacterial agent. [PubChem]Sulfamerazine is a sulfonamide drug that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthetase (dihydrofolate synthetase). Sulfamerazine is bacteriostatic in nature. Inhibition of dihydrofolic acid synthesis decreases the synthesis of bacterial nucleotides and DNA. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2',2'-Difluorodeoxyuridine
2,2-Difluorodeoxyuridine is a metabolite of gemcitabine. Gemcitabine is a nucleoside analog used as chemotherapy. It is marketed as Gemzar by Eli Lilly and Company. (Wikipedia)
gamma-Glutamyl-S-methylcysteine
gamma-Glutamyl-S-methylcysteine is found in garden onion. gamma-Glutamyl-S-methylcysteine is a constituent of many edible vegetable species Constituent of many edible vegetable species. gamma-Glutamyl-S-methylcysteine is found in garden onion, soft-necked garlic, and lima bean.
3-Hydroxy-4-butanolide
3-Hydroxy-4-butanolide is found in herbs and spices. 3-Hydroxy-4-butanolide is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 3-Hydroxy-4-butanolide is found in tea and herbs and spices.
Necatorine
C15H8N2O3 (264.05348979999997)
Necatorine is found in mushrooms. Necatorine is an alkaloid from the mushroom Lactarius necator.
Methionyl-Aspartate
Methionyl-Aspartate is a dipeptide composed of methionine and aspartate. 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.
Aspartyl-Methionine
Aspartyl-Methionine is a dipeptide composed of aspartate and methionine. 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.
N-Acetylcystathionine
N-Acetylcystathionine is an amino-acid. It is found in the urine of patients with cystathioninuria which is an autosomal recessive phenotype with abnormal accumulcation of plasma cystathionine, leading to increased urinary excretion (PMID: 1793738) [HMDB] N-Acetylcystathionine is an amino-acid. It is found in the urine of patients with cystathioninuria which is an autosomal recessive phenotype with abnormal accumulcation of plasma cystathionine, leading to increased urinary excretion (PMID: 1793738).
dapsone hydroxylamine
dapsone hydroxylamine is a metabolite of dapsone. Dapsone (diamino-diphenyl sulfone) is a medication most commonly used in combination with rifampicin and clofazimine as multidrug therapy (MDT) for the treatment of Mycobacterium leprae infections. It is also second-line treatment for prophylaxis (prevention) against Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii (formerly P. carinii) in HIV patients in whom CD4 counts are below 200/mm. (Wikipedia)
1-[(4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
3-(3-Hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol
Difluorodeoxyuridine
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
2,2-Difluoro-n-(2-hydroxyethyl)-3-(2-nitro-1h-imidazol-1-yl)propanamide
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
1-[(2R,4S,5S)-5-[Difluoro(hydroxy)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
3beta-Chlorodehydrocostuslactone
3beta-chlorodehydrocostuslactone belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. 3beta-chlorodehydrocostuslactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3beta-chlorodehydrocostuslactone can be found in sweet bay, which makes 3beta-chlorodehydrocostuslactone a potential biomarker for the consumption of this food product.
Kinsenoside
(3R)-5-Oxotetrahydro-3-furanyl beta-D-glucopyranoside is a glycoside. Kinsenoside is a natural product found in Anoectochilus formosanus, Anoectochilus koshunensis, and Crocus sativus with data available. Kinsenoside is a main active component isolated from plants of the genus Anoectochilus, and exhibits many biological activities and pharmacological effects[1]. Kinsenoside rescues the nucleus pulposus cells (NPCs) viability under oxidative stress and protects against apoptosis, senescence and mitochondrial dysfunction in a Nrf2-dependent way[2]. Kinsenoside is a main active component isolated from plants of the genus Anoectochilus, and exhibits many biological activities and pharmacological effects[1]. Kinsenoside rescues the nucleus pulposus cells (NPCs) viability under oxidative stress and protects against apoptosis, senescence and mitochondrial dysfunction in a Nrf2-dependent way[2].
Peucedanol
(+)-Peusedanol is a natural product found in Prangos tschimganica, Prangos uloptera, and other organisms with data available. 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy- is a natural product found in Ficus glumosa with data available. (+)-Peusedanol is a coumarin isolated from Peucedanumjaponicum[1].
2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-
3,3-Methylenebis(4-hydroxy-6-methyl-2H-pyran-2-one)
6-Acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dihydrobenzofuran
(2E)-3-(4-O-acetyl-3-methoxyphenyl)prop-2-en-1-yl acetate|1-acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzene|1-Acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzol|trans-coniferyl alcohol diacetate
methyl (Z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxo-4-hexenoate|orirubenone F
5-Acetyl-2-(1-hydroxy-1-methylethyl)-4-methoxybenzofuran-6-ol
methyl (S)-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate|Methyl-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate
3-Hydroxy-7-<4-hydroxy-isopentyloxy>-coumarin|7-O-(4-Hydroxy-3-methylbutyl)- 3,7-Dihydroxy-2H-1-benzopyran-2-one
7-(3-Methyl-2,3-dihydroxybutyloxy)-2H-1-benzopyran-2-one
8-hydroxy-7-(4-hydroxy-2-methyl-butoxy)-chromen-2-one|Armin
1-(5-methoxy-4-oxo-prenyl)-resacetophenone|1-<5-methoxy-4-oxo-prenyl>-resacetophenone
(E,E)-5-(4-methoxy-3-methyl-2-oxo-2H-pyran-6-yl)-3-methylhexa-2,4-dienoic acid|infectopyrone
7-hydroxy-8-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|armenin
7-hydroxy-8-(2-hydroxy-2-isopropoxy-ethyl)-chromen-2-one|Calcicolin
(5R*, 6R*, 7R*, 8R*, 3Z)-6, 7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|(5R*,6R*,7R*,8R*,3Z)-6,7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|gonioheptenolactone
4-Oxo-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-3-carbaldehyde
methyl 7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromene-8-carboxylate
3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl)acetate
Acetic acid 2-oxo-5,6-dimethoxy-2H-1-benzopyran-7-yl ester
6,7-Dimethoxybenzofuran-5-propionic acid methyl ester
6-(beta-hydroxypropionyl)-1,3-dimethyllumazine|6-beta-hydroxypropionyl-1,3-dimethyllumazine
2,5-dihydroxy-3,8-dimethoxy-7-methylnaphtho-1,4-quinone|Nepenthone E
2-Propenoic acid, 3-[3,4-bis(acetyloxy)phenyl]-, (E)-
5-hydroxymethyl-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
Tanshinlactone
Tanshinlactone is a natural product found in Salvia miltiorrhiza with data available.
sulfamerazine
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1016
2,2-Difluorodeoxyuridine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2649 2′,2′-Difluorodeoxyuridine (dFdU) is the main metabolite of Gemcitabine (HY-17026). 2′,2′-Difluorodeoxyuridine causes a concentration- and schedule- dependent radiosensitising effect in vitro[1].
4,7,8-trimethoxy-3,5-dimethylchromen-2-one
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one
Tricarboxyl-A4EO2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000846888]
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based on: CCMSLIB00000845769]
Phenyl 1-hydroxy-2-naphthoate
CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5147; ORIGINAL_PRECURSOR_SCAN_NO 5145 DATASET 20200303_ENTACT_RP_MIX505; CONFIDENCE standard compound; INTERNAL_ID 1074; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5844; ORIGINAL_PRECURSOR_SCAN_NO 5842 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5844; ORIGINAL_PRECURSOR_SCAN_NO 5842 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5882; ORIGINAL_PRECURSOR_SCAN_NO 5880 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5858; ORIGINAL_PRECURSOR_SCAN_NO 5855 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5940; ORIGINAL_PRECURSOR_SCAN_NO 5938 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5272
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one_major
Met-asp
A dipeptide formed from L-methionine and L-aspartic acid residues.
Necatorin
C15H8N2O3 (264.05348979999997)
Butanedioic acid,2-oxo-3-phenyl-, 1,4-diethyl ester
3-(THIAZOL-2-YLCARBAMOYL)-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
N-Benzyloxycarbonyl-2-oxoimidazoline-4-carboxylic acid
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
2-Naphthalenecarboxylicacid, 3-hydroxy-, phenyl ester
Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate
tert-butyl 3-(4-methoxyphenyl)-2,3-dioxopropanoate
Ethyl 2,3-dihydro-5,6-dimethoxy-1-oxo-1H-indene-2-carboxylic ester
thialbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID
2-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)ISOINDOLINE-1,3-DIONE
C14H8N4O2 (264.06472279999997)
4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
6-Methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
6-Methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
3-AMINO-3-[5-(2-CHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(3-CHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
5-METHYL-4-NITRO-2-(4-NITRO-PHENYL)-2H-PYRAZOL-3-OL
4-(pyridin-2-ylmethylamino)quinazoline-6-carbaldehyde
4-(pyridin-3-ylmethylamino)quinazoline-6-carbaldehyde
2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
Methyl 2-amino-4-(3-methoxyphenyl)thiazole-5-carboxylate
METHYL 2-AMINO-4-(4-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATE
(5-FLUORO-2-((4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
(5-FLUORO-2-((2-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
(5-FLUORO-2-((3-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
Ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetate
C13H13FN2O3 (264.09101599999997)
2-Chloro-3-cyanopyridine-4-boronic acid pinacol ester
Glycine, N-[2-[(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl ), disodium salt
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
(3-NITRO-5-(PYRROLIDINE-1-CARBONYL)PHENYL)BORONIC ACID
2-(4-CHLOROPHENYL)-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1-Naphthalenecarboxylic acid, 4-hydroxyphenyl ester
METHYL 2,3-ANHYDRO-4,6-O-BENZYLIDENE-α-D-ALLOPYRANOSIDE
5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-furan-2-carboxylic acid
8-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
3-Isopropoxy-5-(trifluoromethoxy)phenylboronic acid
C10H12BF3O4 (264.07806980000004)
5-([1,1-BIPHENYL]-4-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
5-CHLORO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
1,1-Dimethyl(2H8)-4,4-bipyridinium dichloride
C12H6Cl2D8N2 (264.10361582400003)
7-FLUORO-5-((TETRAHYDRO-2H-PYRAN-4-YL)OXY)QUINAZOLIN-4(3H)-ONE
C13H13FN2O3 (264.09101599999997)
Sulfaperin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(R)-3-((BENZYLOXY)CARBONYL)-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID
2-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]BUTANOIC ACID
1,3-Dithiane-2,2-diylbis(trimethylsilane)
C10H24S2Si2 (264.08579039999995)
5-[amino(methyl)amino]-4-chloro-2-(4-methylphenyl)pyridazin-3-one
Methyl 2-hydroxy-5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxyla te
2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
Fluoro-N,N,N,N-tetramethylformamidinium hexafluorophosphate
2-(5-(TRIFLUOROMETHYL)-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
(2R,3S)-1-CARBOXY-4-PENTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE POTASSIUM SALT
1-Naphthaleneacetamide,N-(2-aminoethyl)-, hydrochloride (1:1)
2-(4-HYDROXY-BENZYLIDENE)-MALONIC ACID DIETHYL ESTER
2-(4-Isocyanatophenyl)-5-(trifluoromethyl)pyridine
diftalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
methyl (E)-3-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]ETHAN-1-ONE OXIME
8-METHYL-2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID
(3-PROPOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C10H12BF3O4 (264.07806980000004)
2-(BIS-METHYLSULFANYL-METHYLENE)-MALONIC ACID DIETHYL ESTER
2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
C10H11F3N2O3 (264.07217319999995)
Pyridin-3-ylmethyl-(tetrahydro-pyran-4-yl)-amine dihydrochloride
2-[METHYL-2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]ETHAN-1-OL
C10H11F3N2O3 (264.07217319999995)
4(3H)-Quinazolinone, 2-chloro-5-cyclobutyl-7-methoxy-
(2-HYDROXYIMINO-2-PHENYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
Urea,1-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methyl-2-thio- (6CI)
thiopental sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
a-D-Mannopyranoside, methyl2,3-anhydro-4,6-O-(phenylmethylene)-
(1-(Tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid
C9H12BF3N2O3 (264.08930280000004)
1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
(E)Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)-5,6-dihydropyrimidin-4(3h)-one hydrochloride
5-(2,5-Dioxotetrahydrofuryl)-3-Methyl-3-Cyclohexene-1,2-Dicarboxylic Anhydride
2-PYRIDIN-4-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
Furagin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XE - Nitrofuran derivatives D000890 - Anti-Infective Agents
2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one
Temodox
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-Amino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride
2-Amino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride
2-(8-Hydroxy-6-methoxy-1-oxo-1H-isochromen-3-yl)propionic acid
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor
2-[(Cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside
Ozagrel hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
(1-Oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate
2-Allyl-1-hydroxy-9,10-anthraquinone
R162 is a potent inhibitor of glutamate dehydrogenase 1 (GDH1/GLUD1), with anti-cancer properties.
ethyl 2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide
3,8,9,10-Tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
Perlolyrine
2-Formamido-4-(2-formamidophenyl)-4-oxobutanoic acid
5,6-Difluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
1-[(2R,4S,5S)-5-[Difluoro(hydroxy)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
[(2R,3S,4S,5R,6R)-5-acetyloxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate
D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
2-Oxo-6-phenyl-4-(4-hydroxyphenyl)-1,2-dihydropyrimidine
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
1,3-dimethyl-6-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]pyrimidine-2,4(1H,3H)-dione
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
2-(4-Methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole
1-[(4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
2-[(2-chlorophenyl)methylthio]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
3,4,5-Trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid
(3S)-3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
(5E)-4-Amino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one
5-[(4-Hydroxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
1-Acetoxyeugenol acetate
An acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.
1,3-dimethyl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]pyrimidine-2,4-dione
2,2-Difluoro-2-deoxyuridine
A pyrimidine 2-deoxyribonucleoside that is uridine in which the hydroxy group at position 2 has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine.
Pozanicline (dihydrochloride)
Pozanicline dihydrochloride (ABT-089 dihydrochloride) is an orally bioavailable nicotinic acetylcholine receptor (nAChR) agonist with a Ki of 16.7 nM for binding to [3H]cytisine sites[1]. Pozanicline is an α4β2-selective nAChR agonist, which binds to rat brain α4β2 nAChR with a Ki of 17 nM while binding to α7 nAChR is insignificant[2].
4,5,8-trihydroxy-6-methyl-7-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-one
10-hydroxy-12-methoxy-6-methyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-4,8-dione
13-methoxy-3-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
(2r)-2-{2-[(2e)-3-methoxy-5-oxofuran-2-ylidene]propyl}-2,4-dimethylfuran-3-one
(5-{5h-pyrido[4,3-b]indol-1-yl}furan-2-yl)methanol
6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxy-7-methylisochromen-1-one
6-oxa-17,18-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1,3,7,10,12,14,16-heptaene-5,9-dione
C15H8N2O3 (264.05348979999997)
1-[(2s)-4,7-dihydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
5,7-dihydroxy-3-(3-hydroxyoxolan-2-yl)chromen-4-one
4-(3-acetyl-2,6-dihydroxyphenyl)-2-(methoxymethyl)but-2-enal
(11z)-11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
1-[(2r)-7-hydroxy-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
10-(2-chloroethyl)-5,5,9-trimethyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),7(11),8-trien-2-one
1-[5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-3-methoxy-2,3-dihydro-1-benzofuran-6-yl]ethanone
6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-coumarin
{"Ingredient_id": "HBIN012013","Ingredient_name": "6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-coumarin","Alias": "6-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one; 6-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-chromenone; 6-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-hydroxy-chromen-2-one","Ingredient_formula": "C14H16O5","Ingredient_Smile": "NA","Ingredient_weight": "264.27","OB_score": "38.1320365","CAS_id": "20126-72-1","SymMap_id": "SMIT13796","TCMID_id": "NA","TCMSP_id": "MOL013099","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dih ydrobenzofuran
{"Ingredient_id": "HBIN012163","Ingredient_name": "6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dih ydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (4e)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
(4s)-4-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
methyl (2r)-2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propanoate
(3r,4r)-4,8-dihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
n-[(1r)-1-{4-[(1z,3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]ethanimidic acid
(2e)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-(methoxymethyl)but-2-enal
(2e)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
methyl (4z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
1-[7-hydroxy-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
(3s)-6,8-dihydroxy-3-(hydroxymethyl)-7-methyl-4-methylidene-1-oxo-3h-2-benzopyran-5-carbaldehyde
4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
11-hydroxychromeno[5,6-c]cinnolin-2-one
C15H8N2O3 (264.05348979999997)
(1s,5s,6r)-1-[(2e,4e)-hexa-2,4-dienoyl]-4,5-dihydroxy-3,5-dimethyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
3-[(4as,7z)-4,6-dihydroxy-2-imino-1,4a-dihydropteridin-7-ylidene]-2-iminopropanoic acid
(2-{9h-pyrido[3,4-b]indol-1-yl}furan-3-yl)methanol
1,7,8-trihydroxy-3-methyl-1h,3h,4h-pyrano[4,3-b]chromen-10-one
4,11-dihydroxy-8,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-10-one
C15H8N2O3 (264.05348979999997)
4,8-dihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
3-[(4as)-4-hydroxy-2-imino-6-oxo-4a,5-dihydro-1h-pteridin-7-ylidene]-2-iminopropanoic acid
methyl 6-(2,5-dihydroxyphenyl)-4-methyl-6-oxohex-4-enoate
8-chloro-3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-one
7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
2-[2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one
4,9-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradeca-3,5,7-trien-2-one
(5r)-7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
2,7-dihydroxy-5-methyl-2-(2-oxobutyl)-3h-1-benzopyran-4-one
(1s,3s,4r,6r,8s,9s,11r,12r)-8,11-dihydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
7-[(2r)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one
(1r,3s)-1,7,8-trihydroxy-3-methyl-1h,3h,4h-pyrano[4,3-b]chromen-10-one
(8-methoxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)methyl acetate
6-(hexa-2,4-dienoyl)-2,5-dihydroxy-2,4-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
5,6-dihydroxy-2-(1-hydroxyhexa-2,4-dien-1-ylidene)-4,6-dimethylcyclohex-4-ene-1,3-dione
2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid
3,8-dihydroxy-2,5-dimethoxy-6-methylnaphthalene-1,4-dione
3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
(4s)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
7-hydroxy-8-[(3s)-4-hydroxy-3-methylbutoxy]chromen-2-one
2,4,7-trihydroxy-5-methyl-2-(2-oxopropyl)indene-1,3-dione
6-(3-hydroxypropanoyl)-1,3-dimethylpteridine-2,4-dione
(4s)-10-(2-chloroethyl)-5,5,9-trimethyl-3-oxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),7(11),8-trien-2-one
6-hydroxy-3-(2-hydroxypropyl)-8-methoxy-7-methylisochromen-1-one
6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),3,5,8,11(15),13-heptaen-16-one
6,14-dimethyl-12,16-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),3,5,8,11(15),13-heptaen-17-one
5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyfuran-2-one
8,11-dihydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecan-7-one
(2s)-2-amino-4-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
10-hydroxy-8,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,5,7,9,12,14-heptaene-4,11-dione
C15H8N2O3 (264.05348979999997)
6-ethyl-5,7,8-trihydroxy-2-methoxynaphthalene-1,4-dione
1-[(2s,3s)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-3-methoxy-2,3-dihydro-1-benzofuran-6-yl]ethanone
8-methoxy-10-methyl-10,15-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione
(2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
(2e)-1-(4-hydroxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
(2r)-2-{2-[(2z)-3-methoxy-5-oxofuran-2-ylidene]propyl}-2,4-dimethylfuran-3-one
12-phenyl-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
5-(hydroxymethyl)-7-methoxy-2,2-dimethylchromene-6-carboxylic acid
(2e)-1-(5-hydroxy-1-benzofuran-6-yl)-3-phenylprop-2-en-1-one
5-(2-hydroxyethyl)-2,6-dimethyl-4,7-dioxo-1,3-dihydroindene-2-carboxylic acid
5,7-dihydroxy-3-[(2r,3s)-3-hydroxyoxolan-2-yl]chromen-4-one
(12s)-12-phenyl-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
(4r)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
(2r,6r)-10-hydroxy-12-methoxy-6-methyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-triene-4,8-dione
3-(7,8-dihydroxy-3-methyl-1-oxoisochromen-6-yl)propanoic acid
1-[4,7-dihydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(2r,6e)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propyl acetate
(4s)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
n-{1-[4-(5-oxohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]ethyl}ethanimidic acid
(2e,4z)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
7-(1-hydroxyethyl)-6-methoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
1-(5-hydroxy-1-benzofuran-6-yl)-3-phenylprop-2-en-1-one
(1s,9r,10s)-4,9-dihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradeca-3,5,7-trien-2-one
2-ethyl-3,5,8-trihydroxy-6-methoxynaphthalene-1,4-dione
1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-1-benzofuran-5-yl]ethanone
13-hydroxy-12,14-dimethyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one
methyl 2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)propanoate
methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate
3-hydroxy-7-(4-hydroxy-3-methylbutoxy)chromen-2-one
2-hydroxy-6-(3-methoxypropanoyl)-3-methylpteridin-4-one
(4r)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
3,8-dihydroxy-5,6-dimethoxy-2-methylnaphthalene-1,4-dione
methyl 6,8-dihydroxy-5,7-dimethyl-1-oxoisochromene-3-carboxylate
n-(1-{4-[(3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl)ethanimidic acid
(5s)-7,8-dihydroxy-5,11,11-trimethyl-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-3-one
(6,8-dihydroxy-3-methyl-1-oxoisochromen-4-yl)methyl acetate
2-amino-4-{[1-carboxy-2-(methylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(1r,9r,10r)-4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-one
7-[(1r)-1-hydroxyethyl]-6-methoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
n-[(1r)-1-{4-[(1e,3e)-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]ethanimidic acid
(2e,4e)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid
(5s)-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyfuran-2-one
1-(4-hydroxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
(2r)-2-hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioic acid
C11H20O5S (264.10313900000006)