Exact Mass: 314.0234
Exact Mass Matches: 314.0234
Found 309 metabolites which its exact mass value is equals to given mass value 314.0234,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Valdecoxib
Valdecoxib is a prescription drug used in the treatment of osteoarthritis, rheumatoid arthritis, and painful menstruation and menstrual symptoms. It is classified as a nonsteroidal anti-inflammatory drug, or NSAID, and should not be taken by anyone allergic to these types of medications. [HMDB] Valdecoxib is a prescription drug used in the treatment of osteoarthritis, rheumatoid arthritis, and painful menstruation and menstrual symptoms. It is classified as a nonsteroidal anti-inflammatory drug, or NSAID, and should not be taken by anyone allergic to these types of medications. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
rofecoxib
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor COVID info from COVID-19 Disease Map D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Nuarimol
CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8952 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4396; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8962; ORIGINAL_PRECURSOR_SCAN_NO 8959 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8997; ORIGINAL_PRECURSOR_SCAN_NO 8995 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4376; ORIGINAL_PRECURSOR_SCAN_NO 4372 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8980; ORIGINAL_PRECURSOR_SCAN_NO 8977 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4388 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4409; ORIGINAL_PRECURSOR_SCAN_NO 4405 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8992; ORIGINAL_PRECURSOR_SCAN_NO 8990 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9001 CONFIDENCE standard compound; INTERNAL_ID 1244; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4404 D016573 - Agrochemicals D010575 - Pesticides
Malaoxon
Malaoxon is a metabolite of malathion. Malaoxon is a chemical compound with the formula C10H19O7PS. More specifically, it is a phosphorothioate. It is a breakdown product of, and more toxic than, malathion. (Wikipedia) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3713 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Dantrolene
Dantrolene is only found in individuals that have used or taken this drug.Chemically, dantrolene is a hydantoin derivative, but does not exhibit antiepileptic activity like other hydantoin derivates such as phenytoin.Dantrolene depresses excitation-contraction coupling in skeletal muscle by binding to the ryanodine receptor 1, and decreasing intracellular calcium concentration. Ryanodine receptors mediate the release of calcium from the sarcoplasmic reticulum, an essential step in muscle contraction. M - Musculo-skeletal system > M03 - Muscle relaxants > M03C - Muscle relaxants, directly acting agents > M03CA - Dantrolene and derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents
Geranyl-PP
Geranyl diphosphate is the precursor of monoterpenes, a large family of natural occurring C10 compounds predominately found in plants and animals. Geranyl diphosphate is regarded as a key intermediate in the steroid, isoprene and terpene biosynthesis pathways and is used by organisms in the biosynthesis of farnesyl pyrophosphate, geranylgeranyl pyrophosphate, cholesterol, terpenes and terpenoids. (wikipedia). In humans, geranyl diphosphate synthase (GPPS) catalyzes the condensation of dimethylallyl diphosphate (DMAPP) and isopentenyl diphosphate (IPP) to form geranyl diphosphate. Animals produce IPP through the mevalonate (MVA) pathway. Isoprenoid compounds have been implicated in several human disease states including coronary heart disease, blindness, infectious hepatitis and cancer.; ; Geranyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. -- Wikipedia; Geranyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of farnesyl pyrophosphate, geranylgeranyl pyrophosphate, cholesterol, terpenes and terpenoids. Geranyl diphosphate is the precursor of monoterpenes, a large family of natural occurring C10 compounds predominately found in plants and animals. Geranyl diphosphate is regarded as a key intermediate in the steroid, isoprene and terpene biosynthesis pathways and is used by organisms in the biosynthesis of farnesyl pyrophosphate, geranylgeranyl pyrophosphate, cholesterol, terpenes and terpenoids. (wikipedia). In humans, geranyl diphosphate synthase (GPPS) catalyzes the condensation of dimethylallyl diphosphate (DMAPP) and isopentenyl diphosphate (IPP) to form geranyl diphosphate. Animals produce IPP through the mevalonate (MVA) pathway. Isoprenoid compounds have been implicated in several human disease states including coronary heart disease, blindness, infectious hepatitis and cancer. Geranyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. -- Wikipedia.
5'-Phosphoribosyl-N-formylglycinamide
5-phosphoribosyl-n-formylglycinamide, also known as N-formyl-gar or N-formylglycinamide ribonucleotide, is a member of the class of compounds known as glycinamide ribonucleotides. Glycinamide ribonucleotides are compounds in which the amide N atom of glycineamide is linked to the C-1 of a ribosyl (or deoxyribosyl) moiety. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety. 5-phosphoribosyl-n-formylglycinamide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-phosphoribosyl-n-formylglycinamide can be found in a number of food items such as rosemary, mexican groundcherry, common wheat, and bitter gourd, which makes 5-phosphoribosyl-n-formylglycinamide a potential biomarker for the consumption of these food products. 5-phosphoribosyl-n-formylglycinamide exists in all living species, ranging from bacteria to humans. In humans, 5-phosphoribosyl-n-formylglycinamide is involved in few metabolic pathways, which include azathioprine action pathway, mercaptopurine action pathway, purine metabolism, and thioguanine action pathway. 5-phosphoribosyl-n-formylglycinamide is also involved in several metabolic disorders, some of which include mitochondrial DNA depletion syndrome, aICA-Ribosiduria, molybdenum cofactor deficiency, and xanthinuria type I. 5-Phosphoribosyl-N-formylglycinamide, also known as FGAR or N-formyl-GAR, belongs to the class of organic compounds known as glycinamide ribonucleotides. Glycinamide ribonucleotides are compounds in which the amide N atom of glycineamide is linked to the C-1 of a ribosyl (or deoxyribosyl) moiety. FGAR is an extremely weak basic (essentially neutral) compound (based on its pKa). FGAR is a substrate for phosphoribosylformylglycinamidine synthase. It is involved in aminoimidazole ribonucleotide biosynthesis and plays a vital role in purine metabolism as well as in the conversion of glutamine to glutamate.
Clorazepate
Clorazepate is only found in individuals that have used or taken this drug. It is a water-soluble benzodiazepine derivative effective in the treatment of anxiety. It has also muscle relaxant and anticonvulsant actions. [PubChem]Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Wedelolactone
Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3]. Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3]. Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3].
chrysanthemyl diphosphate
Calcium salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl diphosphate
MBS Crosslinker
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxane-2-carboxylic acid
6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-hydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Laccaic acid D
Laccaic acid D is found in green vegetables. Laccaic acid D is a constituent of rhubarb rhizomes
1-Salicylate glucuronide
1-salicylate glucuronide is a natural human metabolite of 1-salicylate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] 1-salicylate glucuronide is a natural human metabolite of 1-salicylate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Beta-D-Glucopyranuronic acid
Salicylacyl glucuronide is a natural human metabolite of acetylsilacylic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] Salicylacyl glucuronide is a natural human metabolite of acetylsilacylic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-hydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Triclocarban
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004785 - Environmental Pollutants > D014873 - Water Pollutants D000890 - Anti-Infective Agents
Geranyl pyrophosphate ammonium*200 UG/VI AL
3-Maleimidobenzoic acid N-hydroxysuccinimide ester
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Glycerylphosphorylinositol
Iodoantipyrine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
7-Oxo-7h-Benzimidazo[2,1-A]benz[de]isoquinoline-3-Carboxylic Acid
5-Hydroxy-3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1H-imidazol-2-one
(+)-Bornyl diphosphate
(+)-bornyl diphosphate is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (+)-bornyl diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). (+)-bornyl diphosphate can be found in common sage, which makes (+)-bornyl diphosphate a potential biomarker for the consumption of this food product.
(3R)-Linalyl diphosphate
(3r)-linalyl diphosphate is a member of the class of compounds known as isoprenoid phosphates. Isoprenoid phosphates are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit (3r)-linalyl diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). (3r)-linalyl diphosphate can be found in common sage, which makes (3r)-linalyl diphosphate a potential biomarker for the consumption of this food product.
2'-hydroxypseudobaptigenin
2-hydroxypseudobaptigenin is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. 2-hydroxypseudobaptigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxypseudobaptigenin can be found in a number of food items such as sorghum, cucurbita (gourd), rubus (blackberry, raspberry), and pineapple, which makes 2-hydroxypseudobaptigenin a potential biomarker for the consumption of these food products.
Wedelolactone
Wedelolactone is a member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. It has a role as an antineoplastic agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an apoptosis inducer, a hepatoprotective agent and a metabolite. It is a member of coumestans, a delta-lactone, an aromatic ether and a polyphenol. It is functionally related to a coumestan. Wedelolactone is a natural product found in Sphagneticola calendulacea, Eclipta alba, and other organisms with data available. A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3]. Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3]. Wedelolactone suppresses LPS-induced caspase-11 expression by directly inhibits the IKK Complex. Wedelolactone also inhibits 5-lipoxygenase (5-Lox) with an IC50 of 2.5 μM. Wedelolactone induces caspase-dependent apoptosis in prostate cancer cells via downregulation of PKCε without inhibiting Akt. Wedelolactone can extract from Eclipta alba, and it can be used for the research of cancer[1][2][3].
Norbergenin
(2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one is a natural product found in Ardisia paniculata, Saxifraga stolonifera, and other organisms with data available. Norbergenin, the O-demethyl derivative of bergenin, shows moderate antioxidant activity (IC50 13 μM in DPPH radical scavenging; 32 μM in superoxide anion scavenging)[1]. Norbergenin, the O-demethyl derivative of bergenin, shows moderate antioxidant activity (IC50 13 μM in DPPH radical scavenging; 32 μM in superoxide anion scavenging)[1].
1,9-Dihydroxy-4-(methylsulfinyl)-6H-indolo[3,2,1-de][1,5]naphthyridine-6-one
1,3,6-trihydroxy-2-methoxymethyl-9,10-anthraquinone
2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Triclocarban
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004785 - Environmental Pollutants > D014873 - Water Pollutants D000890 - Anti-Infective Agents CONFIDENCE standard compound; INTERNAL_ID 2417 CONFIDENCE standard compound; INTERNAL_ID 8807 CONFIDENCE standard compound; INTERNAL_ID 8245 CONFIDENCE standard compound; INTERNAL_ID 4187 INTERNAL_ID 4187; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2988
Perfluorohexanoic acid
CONFIDENCE standard compound; INTERNAL_ID 5946 CONFIDENCE standard compound; INTERNAL_ID 2406 INTERNAL_ID 2406; CONFIDENCE standard compound CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8771 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2715
4-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine
6-Bromo-3-methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.410
2--5-<3,4-diacetoxy-butin-(1)-yl>-thiophen|2-Hydroxy,di-Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol|3,4-diacetoxy-1-(5-penta-1,3-diynyl-thiophen-2-yl)-but-1-yne
1,3,8-Trihydroxy-9-methoxy-11H-benzofuro[2,3-b][1]benzopyran-11-one
11H-Benzofuro(2,3-b)(1)benzopyran-11-one, 1, 3,8-trihydroxy-2-methoxy-
ophioglonin
A homoflavonoid that is isochromeno[4,3-b]chromen-7(5H)-one substituted by hydroxy groups at positions 3, 4, 8 and 10. Isolated from Ophioglossum petiolatum, it exhibits anti-HBV activity.
Endocrocin
A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8.
8-(methoxycarbonyl)-1-hydroxy-9-oxo-9h-xanthene-3-carboxylic acid
1,3,7-Trihydroxy-8-methoxy-(1)benzofuro(2,3-b)chromen-11-one
2-Methoxy-1,3,7-trihydroxy-11H-benzofuro[2,3-b][1]benzopyran-11-one
Valdecoxib
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
dantrolene
M - Musculo-skeletal system > M03 - Muscle relaxants > M03C - Muscle relaxants, directly acting agents > M03CA - Dantrolene and derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3945; ORIGINAL_PRECURSOR_SCAN_NO 3940 CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3956; ORIGINAL_PRECURSOR_SCAN_NO 3954 CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3932; ORIGINAL_PRECURSOR_SCAN_NO 3929 CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3942; ORIGINAL_PRECURSOR_SCAN_NO 3939 CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3694; ORIGINAL_PRECURSOR_SCAN_NO 3692 CONFIDENCE standard compound; INTERNAL_ID 992; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3687; ORIGINAL_PRECURSOR_SCAN_NO 3685
Laccaic acid D
A trihydroxyanthraquinone that is that is 3,6,8-trihydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. A minor component of LAC dye together with laccaic acids A, B and C.
Geranyl diphosphate
The diphosphate of the polyprenol compound geraniol.
(R,R)-chrysanthemyl diphosphate
1-(t-butyldimethylsilyloxy)-2-(4-bromophenyl)ethane
1-fluoro-4-[(4-fluorophenyl)-phenylphosphoryl]benzene
4-AMINO-2-ISOPROPYLTHIO-5-(PHENYLSULFONYL)THIAZOLE
3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonaMide
1-[Chloro(4-fluorophenyl)phenylmethyl]-2-fluorobenzene
2-(4-BROMOPHENYL)-PROPANEDIOIC ACID, 1,3-DIETHYL ESTER
6-BROMO-2-PHENYLIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
phenylmercury chloride
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds
2-BROMO-5-(1-METHYL-2-(PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL)PYRIDINE
[3-(bromomethyl)-1-benzofuran-2-yl]-phenylmethanone
3,4-DIAMINO-THIENO[2,3-B]THIOPHENE-2,5-DICARBOXYLIC ACID DIETHYL ESTER
ethyl 4-chlorosulfonyl-1-hydroxynaphthalene-2-carboxylate
3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Methyl 4-(5-nitro-6-hydroxylbenzoxazol-2-yl)benzate
tert-butyl N-[2-amino-2-(4-bromophenyl)ethyl]carbamate
{[3-CYANO-4-(2-FURYL)-5,6,7,8-TETRAHYDROQUINOLIN-2-YL]THIO}ACETIC ACID
Tesicam
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-[4-(METHYLSULFONYL)-2-NITROPHENYL]PYRROLIDINE-2-CARBOXYLIC ACID
1-[(2-nitrophenyl)sulfonyl]piperidine-2-carboxylic acid
2-Bromomethyl-4-fluorophenylboronic acid pinacol ester
diethyl 2-([(2-chloro-3-pyridyl)carbonyl]amino)malonate
2-Methyl-2-propanyl 6-bromo-4-fluoro-1H-indazole-1-carboxylate
(4-BROMO-2,6-DIFLUOROPHENYL)-1,1,2,3,3,3-HEXAFLUOROPROPYLETHER
3-(5-methyl-4-Phenylisoxazol-3-yl)benzenesulfonamide
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetate
2-(2-(2,2,2-Trifluoroethoxy)phenoxy)ethyl methanesulfonate
Ethanone, 1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-
methyl (2R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
3-(3-chloro-4-(chlorodifluoromethyl)thiophenyl)-1,1-dimethylurea
2-[2-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]PHENOXY]ETHANOHYDRAZIDE
2,6-dichloro-N-[2-(4-oxopiperidin-1-yl)ethyl]benzamide
2-(Perfluoropropyl)-1-phenyl-4,5-dihydro-1H-imidazole
(4-(2-BROMOETHYL)PHENOXY)-(1,1-DIMETHYLETHYL)DIMETHYLSILANE
ISOPROPYL 3-CHLORO-5-METHOXY-6-METHYLBENZO[B]THIOPHENE-2-CARBOXYLATE 1-OXIDE
METHYL 2-([(BENZOYLAMINO)CARBOTHIOYL]AMINO)BENZENECARBOXYLATE
Benzyl (2,6-dichloro-5-fluoropyridin-3-yl)carbamate
2-(4-(Bromomethyl)-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-[4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone
(4-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
tert-butyl N-[2-amino-2-(2-bromophenyl)ethyl]carbamate
6-chloro-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
(2-BROMO-4-FORMYL-PHENOXY)-ACETIC ACID TERT-BUTYL ESTER
4-AMINO-N-(6-CHLORO-5-METHOXY-4-PYRIMIDINYL)BENZENESULFONAMIDE
tert-Butyl 3-bromo-5-fluoro-1H-indazole-1-carboxylate
5-(4-BROMOPHENYL)-2,4-DIHYDRO-2-PHENYL-3H-PYRAZOL-3-ONE
METHYL 4-HYDROXY-6-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
2-(2-chloro-4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
(6R-trans)-7-AMino-8-oxo-3-[(1H-tetrazol-5-ylthio)Methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
4-(3-methyl-4-phenylisoxazol-5-yl)benzenesulfonamide
2H-Pyran, 4-[(1R)-2-bromo-1-(2-methoxyphenyl)ethoxy]tetrahydro-
3-(4-Bromophenyl)-5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadiazole
2-(3-(BROMOMETHYL)-2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-(5-(BROMOMETHYL)-2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3-oxo-2-(2-oxo-2-thiophen-2-ylethylidene)-1,4-dihydroquinoxaline-6-carboxylic acid
1-(3-Bromo-4-fluorophenyl)-4-oxocyclohexanecarboxylic acid
1,1-difluoroethene,1,1,2,3,3,3-hexafluoroprop-1-ene,1,1,2,2-tetrafluoroethene
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
3,7-Dimethylocta-2,6-dienyl phosphono hydrogen phosphate
(Z)-5-((1-(4-nitrophenyl)-1H-pyrrol-2-yl)methylene)-2-thioxoimidazolidin-4-one
1-(2-Furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanone
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
2,2,3,4,4,5,5,5-Octafluoro-3-(trifluoromethyl)pentanoic acid
7-[(3-Chlorobenzyl)oxy]-2-Oxo-2h-Chromene-4-Carbaldehyde
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate
Diphosphoric acid alpha-[(S)-1,5-dimethyl-1-vinyl-4-hexenyl] ester
(2S)-2-amino-3-[2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-3,4-dioxocyclohexa-1,5-dien-1-yl]propanoic acid
(2S)-2-amino-3-[5-[(2R)-2-amino-2-carboxyethyl]sulfanyl-3,4-dioxocyclohexa-1,5-dien-1-yl]propanoic acid
5,7-Dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
1-(1,2,3,4,5,6-Hexahydroxy-7-oxo-7lambda5-phosphabicyclo[4.1.0]heptan-7-yl)-2,3-dihydroxypropan-1-one
5-Hydroxy-3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1H-imidazol-2-one
N(2)-Formyl-N(1)-(5-phospho-D-ribosyl)glycinamide
A glycinamide ribonucleotide having a phosphate group at the 5-position and a formyl group on the glycine nitrogen.
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
2-(4-Bromophenyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
2-(1,3-benzoxazol-2-ylthio)-N-(2-methoxyphenyl)acetamide
4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)thiazole
N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
2-Amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
N-[(3-chloro-4-fluoroanilino)-oxomethyl]-4-methyl-5-thiadiazolecarboxamide
5-chloropyridin-3-yl 1-acetyl-1H-indole-4-carboxylate
2-[[(4-Methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]amino]benzoic acid methyl ester
N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide
3-(1,3-Benzodioxol-5-yl)-5-(2-furanylmethylidene)-2-imino-4-thiazolidinone
4-[[(4-Methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]amino]benzoic acid methyl ester
4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-2-thiazolamine
3,5-Dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester
3,4,5-Trihydroxy-6-(3-hydroxybenzoyl)oxyoxane-2-carboxylic acid
[2-Hydroxy-1-(1-oxoisochromen-3-yl)butyl] hydrogen sulate
Phosphono (2,4,4-trimethylcyclohexen-1-yl)methyl hydrogen phosphate
Clorazepic acid
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3,7-Dimethylocta-1,6-dien-3-yl phosphono hydrogen phosphate
1-Salicylate glucuronide
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A beta-D-glucosiduronic acid that is the glucuronide conjugate of salicyclic acid.
7-Oxo-7h-Benzimidazo[2,1-A]benz[de]isoquinoline-3-Carboxylic Acid
6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Lu AF21934
Lu AF21934 is a selective and brain-penetrant mGlu4 receptor positive allosteric modulator with an EC50 of 500 nM for mGlu4 receptor[1].
