Exact Mass: 329.07311300000003
Exact Mass Matches: 329.07311300000003
Found 306 metabolites which its exact mass value is equals to given mass value 329.07311300000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
griffonin
Lithospermoside is a glycoside. Lithospermoside is a natural product found in Tylosema fassoglense, Semiaquilegia adoxoides, and other organisms with data available. Lithospermoside (Griffonin) is a nature product isolated from the stem bark of Semiaquilegia adoxoides [1]. Lithospermoside (Griffonin) is a nature product isolated from the stem bark of Semiaquilegia adoxoides [1].
Epoxiconazole
C17H13ClFN3O (329.07311300000003)
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9422; ORIGINAL_PRECURSOR_SCAN_NO 9420 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9436; ORIGINAL_PRECURSOR_SCAN_NO 9433 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9461; ORIGINAL_PRECURSOR_SCAN_NO 9459 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9472 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 238; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9488; ORIGINAL_PRECURSOR_SCAN_NO 9486 CONFIDENCE standard compound; INTERNAL_ID 2574 CONFIDENCE standard compound; INTERNAL_ID 8407 CONFIDENCE standard compound; EAWAG_UCHEM_ID 95
Mecarbam
CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9383; ORIGINAL_PRECURSOR_SCAN_NO 9380 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9374; ORIGINAL_PRECURSOR_SCAN_NO 9371 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9357; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9382; ORIGINAL_PRECURSOR_SCAN_NO 9379 ORIGINAL_ACQUISITION_NO 9383; ORIGINAL_PRECURSOR_SCAN_NO 9380; CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9388; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 1213; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9349 Mecarbam is an Agricultural insecticide and acaricide with slightly systemic properties
Fluridone
C19H14F3NO (329.10274300000003)
CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8814; ORIGINAL_PRECURSOR_SCAN_NO 8813 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8805 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8777; ORIGINAL_PRECURSOR_SCAN_NO 8775 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8752; ORIGINAL_PRECURSOR_SCAN_NO 8747 CONFIDENCE standard compound; INTERNAL_ID 704; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8718; ORIGINAL_PRECURSOR_SCAN_NO 8717 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Iprodione
Iprodione is an Agricultural and horticultural fungicid CONFIDENCE standard compound; EAWAG_UCHEM_ID 3060 D016573 - Agrochemicals D010575 - Pesticides
Cyclic AMP
Cyclic amp, also known as camp or adenosine 3,5-cyclic monophosphate, is a member of the class of compounds known as 3,5-cyclic purine nucleotides. 3,5-cyclic purine nucleotides are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Cyclic amp is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic amp can be found in a number of food items such as green vegetables, java plum, borage, and wakame, which makes cyclic amp a potential biomarker for the consumption of these food products. Cyclic amp can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout all human tissues. Cyclic amp exists in all living species, ranging from bacteria to humans. In humans, cyclic amp is involved in several metabolic pathways, some of which include dopamine activation of neurological reward system, excitatory neural signalling through 5-HTR 4 and serotonin, intracellular signalling through PGD2 receptor and prostaglandin D2, and thioguanine action pathway. Cyclic amp is also involved in several metabolic disorders, some of which include adenosine deaminase deficiency, gout or kelley-seegmiller syndrome, purine nucleoside phosphorylase deficiency, and adenine phosphoribosyltransferase deficiency (APRT). Moreover, cyclic amp is found to be associated with chronic renal failure, headache, meningitis, and hypoxic-ischemic encephalopathy. Cyclic adenosine monophosphate (cAMP, cyclic AMP, or 3,5-cyclic adenosine monophosphate) is a second messenger important in many biological processes. cAMP is a derivative of adenosine triphosphate (ATP) and used for intracellular signal transduction in many different organisms, conveying the cAMP-dependent pathway. It should not be confused with 5-AMP-activated protein kinase (AMP-activated protein kinase) . Cyclic AMP (cAMP) or cyclic adenosine monophosphate is an adenine nucleotide containing one phosphate group which is esterified to both the 3- and 5-positions of the sugar moiety. cAMP is found in all organisms ranging from bacteria to plants to animals. In humans and other mammals it is a second messenger and a key intracellular regulator, functioning as a mediator of activity for a number of hormones, including epinephrine, glucagon and ACTH. cAMP is synthesized from ATP by adenylate cyclase. Adenylate cyclase is located at the inner side of cell membranes. Adenylate cyclase is activated by the hormones glucagon and adrenaline and by G protein. Liver adenylate cyclase responds more strongly to glucagon, and muscle adenylate cyclase responds more strongly to adrenaline. cAMP decomposition into AMP is catalyzed by the enzyme phosphodiesterase. cAMP is primarily used for intracellular signal transduction, such as transferring into cells the effects of hormones like glucagon and adrenaline, which cannot pass through the plasma membrane. cAMP is also involved in the activation of protein kinases. In addition, cAMP binds to and regulates the function of ion channels such as the HCN channels. Hyperpolarization-activated cyclic nucleotide–gated (HCN) channels are integral membrane proteins that serve as nonselective voltage-gated cation channels in the plasma membranes of heart and brain cells. HCN channels are sometimes referred to as pacemaker channels because they help to generate rhythmic activity within groups of heart and brain cells. [Spectral] 3,5-Cyclic AMP (exact mass = 329.05252) and Guanosine (exact mass = 283.09167) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
Desulfoglucotropeolin
A aralkylglucosinolate consisting of glucotropeolin lacking the oxime O-sulfo group.
(Z)-N-Feruloyl-5-hydroxyanthranilic acid
Avenanthramide b is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide b is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide b can be found in cereals and cereal products, which makes avenanthramide b a potential biomarker for the consumption of this food product. (Z)-N-Feruloyl-5-hydroxyanthranilic acid is found in cereals and cereal products. (Z)-N-Feruloyl-5-hydroxyanthranilic acid is isolated from oats (Avena sativa).
Dopamine glucuronide
Dopamine glucuronide is a natural human metabolite of Dopamine 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. Dopamine glucuronide is a natural human metabolite of Dopamine generated in the liver by UDP glucuonyltransferase.
Nitisinone
Nitisinone is only found in individuals that have used or taken this drug. It is a synthetic reversible inhibitor of 4-hydroxyphenylpyruvate dioxygenase. It is used in the treatment of hereditary tyrosinemia type 1. It is sold under the brand name Orfadin. [Wikipedia]Nitisinone is a competitive inhibitor of 4-hydroxyphenyl-pyruvate dioxygenase, an enzyme upstream of fumarylacetoacetate hydrolyase (FAH) in the tyrosine catabolic pathway. By inhibiting the normal catabolism of tyrosine in patients with hereditary tyrosinemia type 1 (HT-1), nitisinone prevents the accumulation of the catabolic intermediates maleylacetoacetate and fumarylacetoacetate. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
7-Hydroxyamoxapine
C17H16ClN3O2 (329.09309859999996)
7-Hydroxyamoxapine is a metabolite of amoxapine. Amoxapine (Amokisan, Asendin, Asendis, Defanyl, Demolox, Moxadil) is a tetracyclic antidepressant of the dibenzoxazepine family, though it is often classified as a secondary amine tricyclic antidepressant. It is the N-demethylated metabolite of Loxapine. (Wikipedia)
8-Hydroxyamoxapine
C17H16ClN3O2 (329.09309859999996)
8-Hydroxyamoxapine is a metabolite of amoxapine. Amoxapine (Amokisan, Asendin, Asendis, Defanyl, Demolox, Moxadil) is a tetracyclic antidepressant of the dibenzoxazepine family, though it is often classified as a secondary amine tricyclic antidepressant. It is the N-demethylated metabolite of Loxapine. (Wikipedia)
N-(2-Hydroxyphenyl)acetamide glucuronide
(2R,3S)-Epoxiconazole
C17H13ClFN3O (329.07311300000003)
D016573 - Agrochemicals D010575 - Pesticides
5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate
5-(2-Chlorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
Fentiazac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances 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 D018501 - Antirheumatic Agents
3-(3,5-Dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-ylimidazole-1-carboxamide
6-Chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
C19H20ClNO2 (329.11824900000005)
2,3-Di-O-acetyl-5-deoxy-5-fuluro-D-cytidine
C13H16FN3O6 (329.10230879999995)
FENTIAZAC
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances 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 D018501 - Antirheumatic Agents
N,N-dimethyl-N-[5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]methanimidamide
Metolachlor-TP NOA413173
CONFIDENCE standard compound; UCHEM_ID 4179 UCHEM_ID 4179; CONFIDENCE standard compound
2-Amino-6-[3-hydroxy-4-(phosphonooxy)-1-butenyl]-4-(1H)-pteridinone
10H-2a,9,10-Triaza-13-thia-13H-benzo[fg]cyclopenta[op]naphthacene-11(12H)-one
(E)-4-(6-(3,4-dihydroxystyryl)-4-hydroxy-2-oxo-2H-pyran-3-yl)pyrrolidin-2-one|phaeolschidin E
O1-(2-carbamoyl-4-hydroxy-phenyl)-beta-D-glucopyranuronic acid|O1-(2-Carbamoyl-4-hydroxy-phenyl)-beta-D-glucopyranuronsaeure
O1-(5-amino-2-carboxy-phenyl)-beta-D-glucopyranuronic acid|O1-(5-Amino-2-carboxy-phenyl)-beta-D-glucopyranuronsaeure
O1-(2-hydroxycarbamoyl-phenyl)-beta-D-glucopyranuronic acid|O1-(2-Hydroxycarbamoyl-phenyl)-beta-D-glucopyranuronsaeure
2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin
C13H16FN3O6 (329.10230879999995)
CONFIDENCE standard compound; INTERNAL_ID 2002
2,3-di-O-acetyl-5-deoxy-5-fluorocytidine
C13H16FN3O6 (329.10230879999995)
A member of the class of cytidines that is a metabolite of the drug capecitabine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2862 EAWAG_UCHEM_ID 2862; CONFIDENCE standard compound
cyclic amp
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 127 Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
Epoxiconazole (EP)
C17H13ClFN3O (329.07311300000003)
CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2200
3,5-Cyclic AMP
A 3,5-cyclic purine nucleotide having having adenine as the nucleobase.
2,3-cyclic AMP
Adenosine 2,3-cyclic phosphate is part of the purine metabolism pathway. In this pathway, 2,3-cyclic AMP is reversibly converted to 3-AMP via the enzyme 2,3-cyclic-nucleotide 2-phosphodiesterase (EC 3.1.4.16). (KEGG) [HMDB]
Parinol
CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5061; ORIGINAL_PRECURSOR_SCAN_NO 5058 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5095; ORIGINAL_PRECURSOR_SCAN_NO 5090 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5090; ORIGINAL_PRECURSOR_SCAN_NO 5085 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9624; ORIGINAL_PRECURSOR_SCAN_NO 9623 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9636; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9663; ORIGINAL_PRECURSOR_SCAN_NO 9662 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9691; ORIGINAL_PRECURSOR_SCAN_NO 9690 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9713; ORIGINAL_PRECURSOR_SCAN_NO 9711 CONFIDENCE standard compound; INTERNAL_ID 1117; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9610; ORIGINAL_PRECURSOR_SCAN_NO 9607
ufiprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Avenanthramide-C methyl ester
Nitisinone
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Isradipine Metabolite (3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-d
Avenanthramide b
A monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation.
Sulfamide,N-(6-methoxy-4,5,7-trimethyl-2-benzothiazolyl)-N,N-dimethyl-
Sulfamide, [7-(trifluoromethyl)-9H-carbazol-3-yl]- (9CI)
Sulfamide, [7-(trifluoromethyl)-9H-carbazol-2-yl]- (9CI)
2-amino-6-(4-methylphenyl)-3-nitro-4-phenylbenzonitrile
CGP 52411
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
SKF 82958
C19H20ClNO2 (329.11824900000005)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
5-AZIDO-5-DEOXY-3,4-DI-O-ACETYL-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
Benzenesulfonic acid, 4-[2-(8-hydroxy-5-quinolinyl)diazenyl]-
C15H11N3O4S (329.04702460000004)
tert-butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
C13H20BrN3O2 (329.07388000000003)
(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
C13H19N3O5S (329.10453640000003)
2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
C17H16ClN3O2 (329.09309859999996)
TERT-BUTYL [(1S)-1-(3-BROMO-4-METHOXYPHENYL)ETHYL]CARBAMATE
C14H20BrNO3 (329.0626470000001)
[diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl)]ammonium hydrogen sulphate
1,4-Dioxa-8-azaspiro[4.5]decane, 8-[(3-bromo-5-fluorophenyl)methyl]
ETHYL 4-(4-FLUOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
C17H16FN3O3 (329.11756379999997)
5-(4-chlorophenyl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
Etofylline nicotinate
C15H15N5O4 (329.11239900000004)
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives
1-(2,5-DIMETHYL-3-THIENYL)-ETHANONE
C15H17Cl2NO3 (329.05854320000003)
4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid
C15H15N5O4 (329.11239900000004)
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-(phenylsulfonyl)-
1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
C14H15BF3NO4 (329.10461760000004)
4-(3,5-DICHLORO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
dimethyl 3-(4-chlorophenyl)-3-(nitromethyl)pentanedioate
3-BROMO-2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)ANILINE
2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine,hydrochloride
Copper,[[2,2-[1,2-ethanediylbis[(nitrilo-kN)methylidyne]]bis[phenolato-kO]](2-)]-, (SP-4-2)-
ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
C13H10F3N3O4 (329.06233760000003)
1-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]ethanone
N-(4-Bromophenyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycine
C13H16BrNO4 (329.02626360000005)
5-(Methylthio)-4-phenyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid methyl ester
5,6-dichloro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-indole
2-(2,4-DINITRO-PHENOXY)-ISOINDOLE-1,3-DIONE
C14H7N3O7 (329.02839919999997)
4-Amino-3-methoxyazobene-3-sulfonic acid sodium salt
2-[2-(4-CHLOROPHENYL)-4-PHENYL-1,3-THIAZOL-5-YL]ACETIC ACID
5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester
C15H17Cl2NO3 (329.05854320000003)
(S)-3-(4-Fluoro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
C17H12ClNO4 (329.04548220000004)
(S)-2-(2-Bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acid
C13H16BrNO4 (329.02626360000005)
(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-BROMOPHENYL)ACETIC ACID
C13H16BrNO4 (329.02626360000005)
(R)-3-(4-Fluoro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
1,2,3-Trimethyl-1-(2-propen-1-yl)-1H-benzo[e]indolium bromide
C18H20BrN (329.07790200000005)
4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}PIPERIDINEHYDROCHLORIDE
Trans-Methyl 1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
C19H20ClNO2 (329.11824900000005)
(1-(tert-Butoxycarbonyl)-5,6-dichloro-1H-indol-2-yl)boronic acid
C13H14BCl2NO4 (329.0392894000001)
(S)-3-BENZYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE
C14H17Cl2N3O2 (329.06977620000004)
{2-Chloro-6-[(4-methoxybenzyl)oxy]-3-quinolinyl}methanol
METHYL 6-(4-NITROPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
7-[(3-Chlorobenzyl)oxy]-4-[(Methylamino)methyl]-2h-Chromen-2-One
Deoxyadenosine-phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
Molnupiravir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C254 - Anti-Infective Agent > C281 - Antiviral Agent > C190794 - SARS-CoV-2 Antiviral Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Molnupiravir (EIDD-2801) is an orally bioavailable proagent of the ribonucleoside analog EIDD-1931. Molnupiravir has broad spectrum antiviral activity against influenza virus and multiple coronaviruses, such as SARS-CoV-2, MERS-CoV, SARS-CoV. Molnupiravir has the potential for the research of COVID-19, and seasonal and pandemic influenza[1][2].
3-(4-Chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one
C19H20ClNO2 (329.11824900000005)
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide
2-(4-Methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone
2H-Indazole-6-carboxamide, 2-ethyl-3-methoxy-N-[2-(2-thienyl)ethyl]-
N-[5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
Formycin cyclic 3,5-monophosphate
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins
1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose
(S)-2-(N-(2-Ethyl-6-methylphenyl)-2-sulfoacetamido)propanoic acid
2-(3-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
C16H12FN3O2S (329.06342240000004)
4-({[(4-Methylpiperazin-1-YL)amino]carbonothioyl}amino)benzenesulfonamide
C12H19N5O2S2 (329.09801139999996)
2-{Hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione
N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
2-(4-Hydroxybiphenyl-3-Yl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione
(3r)-3-[(1,2,3,4-Tetrahydroisoquinolin-7-Yloxy)methyl]-2,3-Dihydrothieno[2,3-F][1,4]oxazepin-5-Amine
2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl Dihydrogen Phosphate
4-Acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid (AN axial phosphonate)
C10H20NO9P (329.08756400000004)
5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
C17H16ClN3O2 (329.09309859999996)
(2R,3S)-Epoxiconazole
C17H13ClFN3O (329.07311300000003)
D016573 - Agrochemicals D010575 - Pesticides
(4aR,6S,7S,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
3,5-di-O-methyltricetin(1-)
The conjugate base of 3,5-di-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
Kermesate
A monocarboxylic acid that is the conjugate base of kermesic acid, obtained from the deprotonation of the carboxy group. Major species at pH 7.3.
Malvidin(1-)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of malvidin; major species at pH 7.3.
5-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
(3R)-7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrochromen-5-olate
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-5-methoxychromenium
5-Amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
(5Z)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
4-[[(4-Acetyloxy-3-methoxyphenyl)-oxomethyl]amino]benzoic acid
1-[1-Naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
1-[3-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
4-Mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
C16H16ClN5O (329.10433159999997)
N,N-dimethyl-N-[5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanimidamide
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide
N-[3-(4-chlorophenyl)-5-oxo-4-pyrazolidinyl]-3-methylbenzamide
C17H16ClN3O2 (329.09309859999996)
N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
C17H16ClN3O2 (329.09309859999996)
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide
C17H16ClN3O2 (329.09309859999996)
1-(4-Methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea
2-(4,6-Dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester
C15H11N3O2S2 (329.02926659999997)
1-(Cycloheptylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
C15H18F3N3S (329.11734640000003)
N-[(1,3-benzodioxol-5-ylcarbonyl)oxy]-3-nitrobenzenecarboximidamide
4-Methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester
8,5-Cyclo-2-deoxyadenosine monophosphate
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of dAMP.
3,4,5-Trihydroxy-3,7-dimethoxyflavone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3,4,5-trihydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N2,N2-dimethyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
C13H15N9S (329.11710700000003)
N-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline
5-[(3-phenyl-1H-pyrazol-4-yl)methylene]-3-propyl-2-thioxo-1,3-thiazolidin-4-one
1-[4-(2,3-Dihydrobenzofuran-5-yl)-2-thiazolyl]-4-piperidinecarboxamide
3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium
C16H17N4O2S+ (329.10721620000004)
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-methyl ester
[1-(4-Thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-thiophen-2-ylmethanone
3-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethyldihydro-2(3H)-furanone
3-Phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
(5E)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
[(2R,3R,4R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
C13H16FN3O6 (329.10230879999995)
(2S,3S,4S,5R)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
2-Amino-3-[(3-butanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
C10H20NO9P (329.08756400000004)
FLURIDONE
C19H14F3NO (329.10274300000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-deoxyadenosine 5-monophosphate(2-)
A 2-deoxyribonucleoside 5-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-deoxyadenosine 5-monophosphate (dAMP).
3,5-cyclic IMP(1-)
An organophosphate oxoanion that is the conjugate base of 3,5-cyclic IMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3.
2,2-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol
rhamnacene-3-olate
A flavonol oxoanion that is the conjugate base of rhamnacene resulting from the deprotonation of the 3-hydroxy group; Major species at pH.7.3.
Cyclic adenosine monophosphate
cAMP. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=60-92-4 (retrieved 2024-07-02) (CAS RN: 60-92-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3]. Cyclic AMP (Cyclic adenosine monophosphate), adenosine triphosphate derivative, is an intracellular signaling molecule responsible for directing cellular responses to extracellular signals. Cyclic AMP is an important second messenger in many biological processes[1][2][3].
Mitochonic acid 5
C18H13F2NO3 (329.0863452000001)
Mitochonic acid 5 binds mitochondria and ameliorates renal tubular and cardiac myocyte damage. Mitochonic acid 5 modulates mitochondrial ATP synthesis. Mitochonic acid 5 binds mitochondria and ameliorates renal tubular and cardiac myocyte damage. Mitochonic acid 5 modulates mitochondrial ATP synthesis.
Valiglurax
Valiglurax (VU0652957) is a potent, orally active and selective mGlu4 positive allosteric modulator with EC50 values of 64.6 nM and 197 nM for hmGlu4/Gqi5 and rmGlu4 GIRK, respectively. Valiglurax is a central nervous system (CNS) penetrant. Valiglurax can be used in research of Parkinson's disease[1].
n-[(1z)-1,4-bis(3,4-dihydroxyphenyl)-3-oxobut-1-en-2-yl]carboximidic acid
6-[(1e,3e,5e,7e)-8-(3-chloro-1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-4-methoxypyran-2-one
2,3- diacetoxyl maytenusone
C13H16FN3O6 (329.10230879999995)
{"Ingredient_id": "HBIN003960","Ingredient_name": "2,3- diacetoxyl maytenusone","Alias": "NA","Ingredient_formula": "C13H16FN3O6","Ingredient_Smile": "CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42934","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}