Exact Mass: 236.0869
Exact Mass Matches: 236.0869
Found 500 metabolites which its exact mass value is equals to given mass value 236.0869,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carbamazepine
An anticonvulsant used to control grand mal and psychomotor or focal seizures. Its mode of action is not fully understood, but some of its actions resemble those of phenytoin; although there is little chemical resemblance between the two compounds, their three-dimensional structure is similar. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8204; ORIGINAL_PRECURSOR_SCAN_NO 8202 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8207; ORIGINAL_PRECURSOR_SCAN_NO 8205 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8220; ORIGINAL_PRECURSOR_SCAN_NO 8219 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8219; ORIGINAL_PRECURSOR_SCAN_NO 8218 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8180; ORIGINAL_PRECURSOR_SCAN_NO 8179 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8184 D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 194 CONFIDENCE standard compound; INTERNAL_ID 1120 CONFIDENCE standard compound; INTERNAL_ID 30 [Raw Data] CBB02_Carbamazepine_pos_50eV.txt [Raw Data] CBB02_Carbamazepine_pos_20eV.txt [Raw Data] CBB02_Carbamazepine_pos_30eV.txt [Raw Data] CBB02_Carbamazepine_pos_10eV.txt [Raw Data] CBB02_Carbamazepine_pos_40eV.txt D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Didanosine
A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite. [PubChem] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3135 Didanosine (2',3'-Dideoxyinosine; ddI) is a a potent and orally active dideoxynucleoside analogue, and also is a potent nucleoside reverse transcriptase inhibitor. Didanosine shows antiretroviral activity for HIV[1][2][3].
L-Formylkynurenine
This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
Glycosminine
Specific inhibitor of serine protease and human leucocyte elastase. Specific inhibitor of serine protease and human leucocyte elastase
Buturon
CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8604; ORIGINAL_PRECURSOR_SCAN_NO 8601 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8543; ORIGINAL_PRECURSOR_SCAN_NO 8540 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3999; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8571 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8604 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4010; ORIGINAL_PRECURSOR_SCAN_NO 4007 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4033
N'-Formylkynurenine
Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.
Carboxy-ibuprofen
Carboxy-ibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)
Pterosin F
Constituent of Pteridium aquilinum (bracken fern). Pterosin F is found in green vegetables and root vegetables. Pterosin F is found in green vegetables. Pterosin F is a constituent of Pteridium aquilinum (bracken fern).
Proglobeflowery acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
S-aminomethyldihydrolipoamide
S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). [HMDB] S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methionyl-Serine
Methionyl-Serine is a dipeptide composed of methionine 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.
Serylmethionine
Serylmethionine is a dipeptide composed of serine 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.
Ethyl vanillin isobutyrate
Ethyl vanillin isobutyrate is a flavouring ingredient. Flavouring ingredient
Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-
2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione
Carbazochrome
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent Carbazochrome is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome is an antihemorrhagic agent[1].
Nafimidone
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
Isopropyl ferulate
Isopropyl ferulate, isolated from Notopterygium incisum, is used in the reduction of pharmaceuticals, preparation of antifungal agents, cosmetics and as antioxidant agent and so forth[1].
(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene
(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Tetrahydro-1-(4-hydroxyphenyl)-4-methoxy-1H,3H-furo[3,4-c]furan
6-Methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.300 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.302 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Harmalol hydrochloride
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
Redoxcitrinin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium verrucosum
3-O-((R)-1-carboxyethyl)-alpha-L-rhamnose|3-O-<(R)-1-carboxyethyl>-alpha-L-rhamnose|3-O-<(R)-1-carboxyethyl>-L-rhamnose
(2E,6Z)-8-chloro-6-chloromethyl-1-methoxy-2-methylocta-2,6-diene|Me ether-(2E, 6Z)-8-Chloro-6-chloromethyl-2-methyl-2, 6-octadien-1-ol
(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate
2,3,4-tri-O-methyl-D-glucuronic acid|2.3.4-Tri-O-methyl-D-glucuronsaeure|O2,O3,O4-trimethyl-D-glucuronic acid|O2,O3,O4-Trimethyl-D-glucuronsaeure
(3E)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one|sacidumol A
4-hydroxy-6-me~hoxy-5-(l-oxobutyl)benzo[b]dihydrofuran
5-methyl-5-(3-oxo-cyclohex-1-enyl)-barbituric acid|5-Methyl-5-(3-oxo-cyclohex-1-enyl)-barbitursaeure|5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione|5-Methyl-5-<3-oxo-cyclohexen-(1)-yl>-barbitursaeure
methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate
A benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity.
3-hydroxy-4-(3-methylbut-2-enyloxy)benzoic acid methyl ester
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide
Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl-
6-hydroxyeupatoriochromene B|7,8-Di-Me ether-6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran
(S)-6-(1-hydroxypropyl)-3-methyllumazine|Leucettidine
2-ethyl-5,7-dimethoxy-chroman-4-one|2-ethyl-5,7-dimethoxychromanone
2-(1-hydroxyisopropyl)-5-(1,2-dihydroxyethyl)-benzofuran|2-<1-hydroxyisopropyl>-5-<1,2-dihydroxyethyl>-benzofuran
3-Methoxy-4-acetyl-5-methylbenzoic acid ethyl ester
3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine
3-hydroxy-5-(2-isopentenyl)-4-methoxybenzoic acid|4-Me ether-3,4-Dihydroxy-5-(3-methyl-butenyl)-benzoic acid
harmalol
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
K3JCS9D3KJ
6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
carbamazepine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid
C13H16O4_1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Carboxyibuprofen
A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Didanosine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Didanosine (2',3'-Dideoxyinosine; ddI) is a a potent and orally active dideoxynucleoside analogue, and also is a potent nucleoside reverse transcriptase inhibitor. Didanosine shows antiretroviral activity for HIV[1][2][3].
(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one_major
1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone_major
Thiacetazone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
S-aminomethyldihydrolipoamide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Met-ser
A dipeptide composed of L-methionine and L-serine joined by a peptide linkage.
Ser-met
A dipeptide formed from L-serine and L-methionine residues.
4-(4-METHOXY-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
6-Fluorospiro[4H-3,1-benzoxazine-4,4-piperidin]-2(1H)-one
dimethyl 5,5-difluorocyclohexane-1,3-dicarboxylate
4-acetamido-3-(diaminomethylideneamino)benzoic acid
2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile
3-[(1S)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester
[4-(2-Aminoethyl)phenyl]dimethylaminedihydrochloride
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
1-(3-fluorophenyl)-4-oxocyclohexanecarboxylic acid
(5,5-DIMETHYL-2-OXO-TETRAHYDRO-FURAN-3-YL)-ACETICACID
(2R,3S)-5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol
5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
Benzenepropanoicacid,4-(2-oxiranylmethoxy)-,methylester
1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
Eflornithine hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents
1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
5-Chloro-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
(S)-Ethyl 2-(3-amino-2-oxopiperidin-1-yl)acetate hydrochloride
1(2H)-Pyridineaceticacid,3-cyano-4-(hydroxymethyl)-6-methyl-2-oxo-,hydrazide(9CI)
2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
3-PHENYL-4,5,6,7-TETRAHYDRO-1,2,3-TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
1-(2-fluorophenyl)-4-oxocyclohexanecarboxylic acid
1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]
2-METHOXY-4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)BENZALDEHYDE
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE
2,2-[(5-methyl-1,3-phenylene)bis(oxymethylene)]bis-Oxirane
(E)-4,4,5,5-TETRAMETHYL-2-(2-(THIOPHEN-3-YL)VINYL)-1,3,2-DIOXABOROLANE
1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
(2-CYANO-3-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone
5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
Spiro(imidazo(1,2-a)pyridine-3(2H),2-(2H)inden)-2-one, 1,3-dihydro-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor ZSET1446 is a novel cognitive enhancer that significantly improves learning deficits in various types of Alzheimer disease (AD) models.
2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
9-[5-(Hydroxymethyl)tetrahydrofuran-2-yl]-9h-purin-6-ol
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Benzenepropanoic acid, alpha-oxo-, trimethylsilyl ester
Carbazochrome
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent Carbazochrome is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome is an antihemorrhagic agent[1].
146367-85-3
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid
2-[4-(2-Hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
L-Homolanthionine
A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker.
[1-(2-Amino-4-methylpentanamido)ethenyl]phosphonate
[(3S)-3-carboxy-3-(1-carboxyethylamino)propyl]-dimethylsulfanium
1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethenylphosphonic acid
3-hydroxy-5,7-di[(1E)-prop-1-en-1-yl]-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one
5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate
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(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one
(3Z,6E)-3,6-bis(methoxyimino)hexane-1,2,4,5-tetrol
3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone
Thiophene-2-carboxaldehyde, (4-amino-5-ethyl-1,2,4-triazol-3-yl)hydrazone
Fructosylglycinate
A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine.
N,N-dihydroxytetrahomomethioninate
Conjugate base of N,N-dihydroxytetrahomomethionine.
4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)benzoic acid
2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative
Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-
1,3-Dihydro-3,3-dimethyl-1-trimethylsilyl-3-silaisobenzofuran
N-formyl-L-kynurenine zwitterion
Zwitterionic form of N-formyl-L-kynurenine.
viridicatin(1-)
An organic anion that is the conjugate base of viridicatin resulting from the deprotonation of the 3-hydroxy group. Major microspecies at pH 7.3.
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
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2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione
monopentyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol.
Proglobeflowery acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
N-formyl-D-kynurenine zwitterion
Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
N-[(S)-lactoyl]-L-phenylalaninate
A N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(S)-lactoyl]-L-phenylalanine obtained from deprotonation of the carboxy group; major species at pH 7.3.
FD-211
A delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells.
MFZ 10-7
MFZ 10-7 is a highly potent and selective mGluR5 NAM (negative allosteric modulator), with a Ki of 0.67 nM for rat mGluR5[1]. MFZ 10-7 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2,5-dimethyl-4-oxofuran-3-carboxylic acid
2,4-dihydroxy-3,5-dimethyl-6-(3-oxobutan-2-yl)benzaldehyde
(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene
2-[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]propanoic acid
(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-hydroxypropanoic acid
propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
(3r,4r,5s,6r)-3,6-diamino-4,5-dihydroxyoctanedioic acid
(4s)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
2-hydroxy-3-[(1s,2s,3r,4r,5s)-1,2,3,4,5-pentahydroxy-2-methylcyclopentyl]propanal
(3r)-8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-2-benzopyran-1-one
1,6,6-trimethyl-7-(3-oxobut-1-enyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-one
{"Ingredient_id": "HBIN001773","Ingredient_name": "1,6,6-trimethyl-7-(3-oxobut-1-enyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]octan-5-one","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(=O)C=CC12C(C(=O)C3C(C1(O2)C)O3)(C)C","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5371272","DrugBank_id": "NA"}
2-phenyl-propane-1,1-diol diacetate
{"Ingredient_id": "HBIN006322","Ingredient_name": "2-phenyl-propane-1,1-diol diacetate","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(C1=CC=CC=C1)C(OC(=O)C)OC(=O)C","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40745","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "239459","DrugBank_id": "NA"}
asarumin b
{"Ingredient_id": "HBIN017032","Ingredient_name": "asarumin b","Alias": "NA","Ingredient_formula": "C13H16O4","Ingredient_Smile": "CC(C)C(C(=O)OC)OC(=O)C1=CC=CC=C1","Ingredient_weight": "236.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1837","TCMSP_id": "NA","TCM_ID_id": "11834;16527","PubChem_id": "130891","DrugBank_id": "NA"}
