Exact Mass: 236.0595
Exact Mass Matches: 236.0595
Found 500 metabolites which its exact mass value is equals to given mass value 236.0595,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amalorin
Amalorin is an organic heterotetracyclic compound and an alkaloid. 11-Hydroxycanthin-6-one is a natural product found in Brucea javanica, Amaroria soulameoides, and other organisms with data available.
5,6,7-Trimethoxycoumarin
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
L-Formylkynurenine
This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
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
8-Dehydro-3-deoxy-D-manno-octulosonate
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.
Brassinin
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii. Brassinin is found in cauliflower, chinese cabbage, and brassicas. Brassinin is a dithiocarbamic ester and an indole phytoalexin. Brassinin is a natural product found in Pseudomonas cichorii, Brassica juncea, and other organisms with data available. Brassinin is found in brassicas. Brassinin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii.
Zileuton
Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in in vitro systems. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Dillapional
Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. Dillapional is found in dill. Dillapional is a minor constituent of Anethum sowa (Indian dill) oi
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.
Cysteinyl-Aspartate
Cysteinyl-Aspartate is a dipeptide composed of cysteine 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-Cysteine
Aspartyl-Cysteine is a dipeptide composed of aspartate and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is a constituent of Allium sp Constituent of Allium species 1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables.
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is a constituent of Allium species Constituent of Allium subspecies 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables.
Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
Dimethylfraxetin
6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins. Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.
(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene
Murrayacarpin B
8-(Hydroxymethyl)-5,7-dimethoxychromen-2-one is a natural product found in Murraya paniculata with data available.
9-Hydroxycanthin-6-one
An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity.
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione
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].
(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
(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein
6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)
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
8,10-Dioxo-5,6,9,10-tetrahydro-4H,8H-pyrimido[1,2,3-cd]purine-5-carboxylic acid
(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone
5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone
4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,
6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin
5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran
7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide
8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one
(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate
Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one
3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid
2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one
3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin
6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone
3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate
1-Hydroxycathi-6-one
1-Hydroxycanthin-6-one is a natural product found in Eurycoma longifolia with data available.
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].
MSFXSDYNQKVMTJ-UHFFFAOYSA-N
5,7,8-Trimethoxycoumarin is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum ailanthoides, and other organisms with data available.
ervine
10-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an indole alkaloid and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 10-Hydroxycanthin-6-one is a natural product found in Vinca major, Eurycoma longifolia, and Vinca minor with data available. An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity.
3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
ZILEUTON
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_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
Zyflo
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione
ETHYL 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLATE
N-(4-(AMINOMETHYL)PHENYL)METHANESULFONAMIDE HYDROCHLORIDE
2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
5-ethoxycarbonyl-4-(trifluoromethyl)pyrimidin-2(1h)-one
2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile
[1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione,5,6,7,8-tetrahydro-2-methyl-
ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate
(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester
3-(2-hydroxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
(S)-2-(PYRROLIDIN-3-YLOXY)PYRIDINE DIHYDROCHLORIDE
2-Quinoxalinecarboxylic acid, 7-fluoro-3,4-dihydro-3-oxo-, ethyl ester
1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-
5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine-2-hydrazine
(2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
Potassium 3-trifluoroboratopropionate tert-butyl ester
ethyl 6-nitropyrazolo[1,5-a]pyrimidine-3-carboxylate
5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
3(2H)-Pyridazinone,4-chloro-5-hydrazinyl-2-phenyl-
7-FLUORO-4-OXO-4H-CHROMENE-2-CARBOXYLICACID ETHYL ESTER
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
3-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
4-Amino-N-Methyl-Alpha-Toluenesulfonamide Hydrochloride
(2R,3S)-1-CARBOXY-4-PROPYL-2,3-DIHYDROXY-CYCLOHEXA-4,6-DIENE, POTASSIUM SALT, BALANCE SODIUM SALT, 93
1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
(5-METHOXY-2-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
ETHYL 3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE
2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
7-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIOL
2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
3-(Carboxymethyl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxyli c acid
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
4-Imidazolidinone,5-(1-hydroxyethyl)-3-phenyl-2-thioxo-
1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]
(5S)-5-Amino-6-fluoro-L-norleucine dihydrochloride
3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester
[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride
2-Deoxy-alpha-D-erythro-pentofuranosyl chloride diacetate
ethyl 4-nitro-9-oxa-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxylate
10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE
4-methyl-6-(5-nitrothiophen-2-yl)pyrimidin-2-amine
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone
5-amino-2-chloro-3-methyl-6-pyridin-4-ylpyrimidin-4-one
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
Ethyl 4-hydroxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
1-ISOBUTYL-3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
(3-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
ETHYL 1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBOXYLATE
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
1-[Pyrrol-1-YL-2,5-dione-methoxymethyl]-pyrrole-2,5-dione
2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
4-[(4-Chlorophenyl)hydrazinylidene]pyrazole-3,5-diamine
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate
7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
(2S,3R)-2-[(2-aminophenyl)amino]-3-carboxy-3-oxopropanoate
(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species.
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one
3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone
Fructosylglycinate
A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine.
(2S,3S,4S,5R)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-Acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative
Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-
10-Amino-9-chloro-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
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.
7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde
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.
5-hydroxy-6,7-dimethoxy-2-methylchromone
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.
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.
3-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
2-{[(1e)-3-(methylsulfanyl)-3-oxoprop-1-en-1-yl]oxy}-1-phenylethanone
(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene
methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate
(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one
methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
2-Methyl-5-carboxymethyl-7-hydroxychromanone
{"Ingredient_id": "HBIN005994","Ingredient_name": "2-Methyl-5-carboxymethyl-7-hydroxychromanone","Alias": "2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "236.24","OB_score": "14.79619342","CAS_id": "NA","SymMap_id": "SMIT01034","TCMID_id": "25515","TCMSP_id": "MOL002234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-carboxymethyl-7-hydroxy-chromanone
{"Ingredient_id": "HBIN005995","Ingredient_name": "2-methyl-5-carboxymethyl-7-hydroxy-chromanone","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8-trimethoxy-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012049","Ingredient_name": "6,7,8-trimethoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
