Exact Mass: 281.0852024
Exact Mass Matches: 281.0852024
Found 500 metabolites which its exact mass value is equals to given mass value 281.0852024,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nitrazepam
C15H11N3O3 (281.08003759999997)
Nitrazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative used as an anticonvulsant and hypnotic.Nitrazepam belongs to a group of medicines called benzodiazepines. It acts on benzodiazepine receptors in the brain which are associated with the GABA receptors causing an enhanced binding of GABA (gamma amino butyric acid) to GABAA receptors. GABA is a major inhibitory neurotransmitter in the brain, involved in inducing sleepiness, muscular relaxation and control of anxiety and fits, and slows down the central nervous system. The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors. Sustained repetitive firing seems to be limited by benzodiazepines effect of slowing recovery of sodium channels from inactivation. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives 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 D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3683
Flufenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3021 D000893 - Anti-Inflammatory Agents Flufenamic acid is a non-steroidal anti-inflammatory agent, inhibits cyclooxygenase (COX), activates AMPK, and also modulates ion channels, blocking chloride channels and L-type Ca2+ channels, modulating non-selective cation channels (NSC), activating K+ channels. Flufenamic acid binds to the central pocket of TEAD2 YBD and inhibits both TEAD function and TEAD-YAP-dependent processes, such as cell migration and proliferation.
albendazole S-oxide
Albendazole s-oxide is part of the Steroid hormone biosynthesis, Linoleic acid metabolism, Retinol metabolism, and Bile secretion pathways. It is a substrate for: Cytochrome P450 3A4. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
1-Methyladenosine
C11H15N5O4 (281.11239900000004)
1-Methyladenosine, also known as M1A, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Precise m6A mapping by m6A-CLIP/IP (briefly m6A-CLIP) revealed that a majority of m6A locates in the last exon of mRNAs in multiple tissues/cultured cells of mouse and human, and the m6A enrichment around stop codons is a coincidence that many stop codons locate round the start of last exons where m6A is truly enriched. The methylation of adenosine is directed by a large m6A methyltransferase complex containing METTL3 as the SAM-binding sub-unit. Insulin-like growth factor-2 mRNA-binding proteins 1, 2, and 3 (IGF2BP1-3) are reported as a novel class of m6A readers. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
Propetamphos
CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4537; ORIGINAL_PRECURSOR_SCAN_NO 4534 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4528; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4544
NSC100044
C11H15N5O4 (281.11239900000004)
O6-Methyldeoxy guanosine; DNA adduct is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
4-Hydroxyphenylacetylglutamic acid
Involved in tyrosine and phenylalanine metabolism. [HMDB] Involved in tyrosine and phenylalanine metabolism.
Hydroxyalbendazole
A member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group.
2'-O-Methyladenosine
C11H15N5O4 (281.11239900000004)
2-O-Methyladenosine is a methylated adenine residue. 2-O-Methyladenosine is a naturally occurring 2-O-methylpurine nucleoside with long lasting hypotensive properties; resistance of 2-O-methyladenosine against adenosine deaminase is thought to contribute to prolonged activity. 2-O-Methyladenosine occurs in human fluids, and they increase in urines of untreated adenosine deaminase (ADA) deficient patients (OMIM 608958). (PMID: 9539952, 6980397) [HMDB] 2-O-Methyladenosine is a methylated adenine residue. 2-O-Methyladenosine is a naturally occurring 2-O-methylpurine nucleoside with long lasting hypotensive properties; resistance of 2-O-methyladenosine against adenosine deaminase is thought to contribute to prolonged activity. 2-O-Methyladenosine occurs in human fluids, and they increase in urines of untreated adenosine deaminase (ADA) deficient patients (OMIM 608958). (PMID: 9539952, 6980397). 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2]. 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2].
N6-Methyladenosine
C11H15N5O4 (281.11239900000004)
N6-Methyladenosine is a methylated adenine residue. N6-Methyladenosine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820) [HMDB] N6-Methyladenosine is a methylated adenine residue. N6-Methyladenosine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820). N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
Juzirine
Juzirine is found in fruits. Juzirine is an alkaloid from the leaves of Zizyphus jujuba (Chinese date). Alkaloid from the leaves of Zizyphus jujuba (Chinese date). Juzirine is found in fruits.
3'-O-Methyladenosine
C11H15N5O4 (281.11239900000004)
3-O-Methyladenosine is a methylated adenine residue. [HMDB] 3-O-Methyladenosine is a methylated adenine residue. (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol (Adenosine, 3'-O-methyl- (8CI)(9CI)) is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
N-(1-Deoxy-1-fructosyl)threonine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)threonine is classified as a Natural Food Constituent (code WA) in the DFC.
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is found in mushrooms. N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is isolated from Agaricus bisporus (button mushroom). Isolated from Agaricus bisporus (button mushroom). N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is found in mushrooms.
1-Methyladenosin
C11H15N5O4 (281.11239900000004)
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Acetoxyacetylaminofluorene
D009676 - Noxae > D000477 - Alkylating Agents
indoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase 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 D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N-Nitrosocimetidine
C10H15N7OS (281.10587400000003)
L-3-(3-Hydroxy-4-pivaloyloxyphenyl)alanine
Northiaden
O(6)-Methyl-2'-deoxyguanosine
C11H15N5O4 (281.11239900000004)
7-Acetamido-9-oxofluorene-4-carboxylic acid
N-(2-(Mercaptomethyl)-3-phenylbutanoyl)-L-alanine
Sanfetrinem
4-Methyl-3-[4-(4-oxopyridin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
(-)-Norushinsunine
(-)-norushinsunine is a member of the class of compounds known as hydroxy-7-aporphines. Hydroxy-7-aporphines are aporphines containing a hydroxyl group at the 7-position (-)-norushinsunine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-norushinsunine can be found in cherimoya, custard apple, and sugar apple, which makes (-)-norushinsunine a potential biomarker for the consumption of these food products.
1-Methyladenosine
C11H15N5O4 (281.11239900000004)
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
indoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase 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 D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N-[(2,2-dimethylpropanoyl)oxy]-6-(ethylthio)pyridine-3-carboximidamide
Diethyl 2-[(4-fluoroanilino)methylene]malonate
C14H16FNO4 (281.10633079999997)
2-[4-(5-Methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
7-Alcohol-Spirostaphylotrichin F|spirostaphylotrichin L
Me ester-4-Hydroxy-2-[4-(2-pyridinyl)-1,3-butadienyl]benzoic acid
Me glycoside,4,6-O-benzylidene-alpha-D-Pyranose-3-Amino-3-deoxyglucose
(+-)-norpukateine|(+-)-obovanine|6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-12-ol|Obovanine
2-Dimethylamino-4-oxo-6-(L-threo-1,2,3-trihydroxypropyl)-3,4-dihydropteridin|Euglenapterin
C11H15N5O4 (281.11239900000004)
(Z)-4-methoxy-7-[(3-methylbuta-1,3-dienyloxy)]furo[2,3-b]quinoline|leptanoine A
(+-)-normecambrine|2a,3,4,5-tetrahydro-2H-spiro[cyclohexa-2,5-diene-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one
N-(1-deoxy-D-fructos-1-yl)-L-threonine|N-(1-Desoxy-D-fructos-1-yl)-L-threonin|N-D-Fructose-1-yl-LS-threonin|N-D-fructose-1-yl-LS-threonine
Aristolactam AIIIa
Aristolactam AIIIa is a natural product found in Aristolochia elegans, Aristolochia kaempferi, and other organisms with data available.
Albendazole oxide
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1060
nitrazepam
C15H11N3O3 (281.08003759999997)
A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (Wests syndrome). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives 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 D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; INTERNAL_ID 1535
1-Methyladenosine
C11H15N5O4 (281.11239900000004)
A methyladenosine carrying a methyl substituent at position 1. CONFIDENCE standard compound; INTERNAL_ID 313 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
2-O-methyladenosine
C11H15N5O4 (281.11239900000004)
CONFIDENCE standard compound; INTERNAL_ID 312 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2]. 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2].
6-Methyladenosine
C11H15N5O4 (281.11239900000004)
N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
2-O-Methyladenosine
C11H15N5O4 (281.11239900000004)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5
N6-Methyladenosine
C11H15N5O4 (281.11239900000004)
CONFIDENCE standard compound; INTERNAL_ID 307 N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
L-METHYLADENOSINE
C11H15N5O4 (281.11239900000004)
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
flufenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5428; ORIGINAL_PRECURSOR_SCAN_NO 5423 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5418; ORIGINAL_PRECURSOR_SCAN_NO 5416 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5457; ORIGINAL_PRECURSOR_SCAN_NO 5455 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5442; ORIGINAL_PRECURSOR_SCAN_NO 5441 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5524; ORIGINAL_PRECURSOR_SCAN_NO 5519 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5447; ORIGINAL_PRECURSOR_SCAN_NO 5445 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9128 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9153; ORIGINAL_PRECURSOR_SCAN_NO 9148 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9175; ORIGINAL_PRECURSOR_SCAN_NO 9171 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9182; ORIGINAL_PRECURSOR_SCAN_NO 9178 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9162; ORIGINAL_PRECURSOR_SCAN_NO 9160 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9196; ORIGINAL_PRECURSOR_SCAN_NO 9192 Flufenamic acid is a non-steroidal anti-inflammatory agent, inhibits cyclooxygenase (COX), activates AMPK, and also modulates ion channels, blocking chloride channels and L-type Ca2+ channels, modulating non-selective cation channels (NSC), activating K+ channels. Flufenamic acid binds to the central pocket of TEAD2 YBD and inhibits both TEAD function and TEAD-YAP-dependent processes, such as cell migration and proliferation.
1-Methyldesoxyguanosine; LC-tDDA; CE10
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; LC-tDDA; CE20
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; LC-tDDA; CE30
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; LC-tDDA; CE40
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE0; CorrDec
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE10; CorrDec
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE30; CorrDec
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE0; MS2Dec
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE30; MS2Dec
C11H15N5O4 (281.11239900000004)
N1-Methyladenosine; AIF; CE10; MS2Dec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE0; CorrDec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE10; CorrDec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE0; MS2Dec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE30; CorrDec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE10; MS2Dec
C11H15N5O4 (281.11239900000004)
1-Methyldesoxyguanosine; AIF; CE30; MS2Dec
C11H15N5O4 (281.11239900000004)
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-Quinoline-3-carboxylic acid
3-O-Methyladenosine
C11H15N5O4 (281.11239900000004)
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol (Adenosine, 3'-O-methyl- (8CI)(9CI)) is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
1,3-bis(oxiran-2-ylmethyl)-5-prop-1-en-2-yl-1,3,5-triazinane-2,4,6-trione
N-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, benzoate (ester), hydrochloride, (3-exo)- (9CI)
(S)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acid
TERT-BUTYL 4-(METHOXYCARBONYL)-3-METHOXYPHENYLCARBAMATE
Benzodepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Benzenaminium, N,N,N-trimethyl-, hexafluorophosphate(1-)
4-ETHOXYCARBONYLMETHYL-3-NITRO-BENZOIC ACID ETHYL ESTER
2-(Methoxycarbonyl)aminophenylaminothioxomethyl-carbamic acid methyl ester
5,6-Dimethoxy-2-(pyridine-4-yl)methylene-indan-1-one
4-[(1-methylbenzimidazol-2-yl)methylamino]benzoic acid
4-(PIPERAZIN-1-YL)-2-(TRIFLUOROMETHYL)QUINOLINE
C14H14F3N3 (281.11397600000004)
Boc-(R)-3-amino-3-(4-hydroxy-phenyl)- propionic acid
1,3-dimethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
4-(3-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINE HYDROCHLORIDE
[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]-carbamic acid ethyl ester
2,2,3,4,5,5-HEXAMETHYL-3-IMIDAZOLINIUM-1-YLOXY METHYL SULFATE
C10H21N2O5S (281.11711160000004)
2-aza-2-benzyl-7-bromo-6-hydroxy-2-bicyclo(2.2.1)heptane
4-(2-N-MALEIMIDO)METHYL BENZOHYDRAZIDE HYDROCHLORIDE
(2S,4S)-1-BENZYL-2-METHY-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
C14H16FNO4 (281.10633079999997)
METHYL 3-AMINO-5-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
METHYL 3-AMINO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
METHYL 3-AMINO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
(3R)-4-phenylmethoxycarbonylthiomorpholine-3-carboxylic acid
B-HT 920
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists Talipexole dihydrochloride (B-HT 920 dihydrochloride) is a dopamine D2 receptor agonist, α2-adrenoceptor agonist and 5-HT3 receptor antagonist, which displays antiParkinsonian activity.
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxylic acid
(1S,2R,5R)-5-(4-CHLORO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3-(HYDROXYMETHYL)CYCLOPENT-3-ENE-1,2-DIOL
1H-Indole,1-methyl-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-(9CI)
Benzyl 4-[Methoxy(Methyl)aMino]-4-oxobutanoate
C14H16FNO4 (281.10633079999997)
2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
N-(3-fluorophenyl)-3-hydroxynaphthalene-2-carboxamide
(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride
ETHYL-5-CHLORO-1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINE CARBOXYLATE
5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
C15H11N3O3 (281.08003759999997)
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
3-benzylhydroxy-2,6-dihydroxymethylpyridine hydrochloride
2-(6-FLUOROPYRIDIN-3-YL)-6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE
5-(1-Chloro-2-methylpropan-2-yl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
5-(1-Chloro-2-methylpropan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Boc-(S)-3-Amino-3-(2-hydroxy-phenyl)-propionic acid
1-(1,3-Benzodioxol-5-ylmethyl)-1H-indole-2,3-dione
(3-Chloro-4-(cyclohexylcarbamoyl)phenyl)boronic acid
(4-Chloro-3-(cyclohexylcarbamoyl)phenyl)boronic acid
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclopentyl]benzamide
C13H16ClN3O2 (281.09309859999996)
4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol()
2-(N-(4-CHLOROPHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLIC ACID
5-Bromo-3-isopentyl-2-methyl-3H-imidazo[4,5-b]pyridine
1-[(Benzyloxy)carbonyl]-3-fluoro-3-piperidinecarboxylic acid
C14H16FNO4 (281.10633079999997)
N-Cyclopropyl-N-methyl-1,2,3,4-tetrahydro-2-naphthalenamine hydro bromide (1:1)
C14H20BrN (281.07790200000005)
2-(4-DIMETHYLAMINO-PHENYL)-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
4-(2-((TERT-BUTOXYCARBONYL)AMINO)ETHOXY)BENZOIC ACID
2-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
3-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
6-Bromo-2,2-spirocycloheptane-2,3-dihydro-1H-imidazo[4,5-b]pyridine
2-(4-Aminophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol
2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
1-(4-trifluoromethyl)phenylbiguanide hydrochloride
3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOIC ACID
1H-Pyrrole-2-propanoicacid, 4-(ethoxycarbonyl)-3,5-dimethyl-b-oxo-, ethyl ester
tert-butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
tert-Butyl 4-(2,2,2-trifluoro-acetyl)piperidin-1-carboxylate
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride
2-(TRIFLUOROMETHYL)-6,11-DIHYDRO-5H-BENZO[B]PYRIDO[2,3-E][1,4]DIAZEPIN-7-OL
1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-2-(QUINOXALIN-6-YL)ETHANONE
6,7-dimethylspiro[3H-chromene-2,4-piperidine]-4-one,hydrochloride
ethyl 4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoate
2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
(2S,4R)-1-BENZYL-2-METHYL-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
C14H16FNO4 (281.10633079999997)
2-CHLORO-5,6,7-TRIMETHOXY-QUINOLINE-3-CARBALDEHYDE
2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid n-hydroxysuccinimide ester
TERT-BUTOXYCARBONYLAMINO-(2-METHOXY-PHENYL)-ACETIC ACID
1-ISOPENTYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1-ALLYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
C15H11N3O3 (281.08003759999997)
5-piperazin-1-yl-1-benzofuran-2-carboxamide,hydrochloride
C13H16ClN3O2 (281.09309859999996)
(6-Chloro-1H-benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester
C13H16ClN3O2 (281.09309859999996)
5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-(1,1-dimethylethyl) 4-ethyl ester
6-fluoro-3-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetic acid,hydrochloride
2-(1,3-diethoxy-1,3-dioxopropan-2-yl)pyridine-3-carboxylic acid
4-[2-(Trifluoromethyl)phenoxy]piperidine hydrochloride
2-((tert-butoxycarbonyl)amino)-2-(4-methoxyphenyl)acetic acid
Boronic acid, B-[4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]
3-(4-FLUOROPHENYL)-1-ISOPROPYL-1H-INDOLE-2-CARBALDEHYDE
ETHYL 3-HYDROXY-4,6-DIMETHOXY-2-OXOINDOLINE-3-CARBOXYLATE
2-benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride
2-Propenoic acid,3-[4-[[(4-methoxyphenyl)methylene]amino]phenyl]-
TERT-BUTYL 5-(2-CHLOROETHYL)INDOLINE-1-CARBOXYLATE
2-[2-(AMINOMETHYL)PHENYLTHIO]BENZYL ALCOHOL HYDROCHLORIDE
6-(4-aminophenyl)-4-ethoxypyrido[3,2-d]pyrimidin-2-amine
(R)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-HYDROXYPHENYL)PROPANOIC ACID
N-(2,4-Dinitrophenyl)-L-proline
The L-stereoisomer of N-(2,4-dinitrophenyl)proline, a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen.
2-C-Methyladenosine
C11H15N5O4 (281.11239900000004)
2'-C-Methyladenosine is an inhibitor of hepatitis C virus (HCV) replication. 2'-C-Methyladenosine inhibits HCV replicon and NS5B-catalyzed RNA synthesis with IC50 values of 0.3μM and 1.9 μM, respectively. 2'-C-Methyladenosine also potently inhibits LRV1 in Leishmania guyanensis (Lgy) and Leishmania braziliensis[1][2].
(4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER
C14H16FNO4 (281.10633079999997)
1-TERT-BUTYL2-METHYL(2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE
4-(4-(trifluoromethoxy)phenyl)piperidine hydrochloride
(Z)-3-(hydroxy-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid
boc-(s)-3-amino-3-(3-hydroxy-phenyl)-propionic acid
2-Chloro-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
5-Acetyl-2-chloro-1-cyclopentyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinecarboxaldehyde
(4R,8S)-8-(3-(difluoroMethyl)phenyl)-4-Methyl-2-Methylene-6-oxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-iuM-8-uide
ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Methyl 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
Boronic acid, B-[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]-
3-amino-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
1-CYCLOPROPYL-6,7-DIFLUORO-8-HYDROXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
[2-[(tert-butoxycarbonyl)amino]-3-methoxyphenyl]acetic acid
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
cladribine related compound a (20 mg) (2-methoxy-2-deoxyadenosine)
C11H15N5O4 (281.11239900000004)
3-Borono-5-((tert-butoxycarbonyl)amino)benzoic acid
Talsaclidine fumarate
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
5-(2-Amino-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
C11H15N5O4 (281.11239900000004)
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
Proflavine dihydrochloride
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
5-Methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine
4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide
2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone
C15H11N3O3 (281.08003759999997)
5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
3-(4-Methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride
3-(2-Hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
(R)-(+)9B-(3-Methyl)phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-5(9BH)-one
2-Hydroxymethyl-5-(7-methylamino-3H-pyrazolo[4,3-D]pyrimidin-3-YL)-tetrahydro-furan-3,4-diol
C11H15N5O4 (281.11239900000004)
(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
4-Imidazolmethylene-5-Imidazolone Chromophore
C11H15N5O4 (281.11239900000004)
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-
6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
4-butyl-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
C15H11N3O3 (281.08003759999997)
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-3-pyridinecarbonitrile
N-[(E)-Furan-2-ylmethylideneamino]-8-methoxy-2-methylquinolin-4-amine
N-(1-cyano-3-pyrrolidinyl)-3-methoxybenzenesulfonamide
Pseudobaptigenin(1-)
A flavonoid oxoanion that is the conjugate base of pseudobaptigenin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
5-(3-Phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
1-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine
1-Ethyl-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-indole]one
4-[[[2-(Isopropyloxy)phenoxy]carbonyl]amino]butanoic acid
Ethyl 2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate
(1E)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
C13H16ClN3O2 (281.09309859999996)
1-Hydroxy-6-nitro-2-phenyl-3-indazol-2-iumcarbonitrile
C14H9N4O3+ (281.06746239999995)
2-Amino-4,8-bis(methoxymethyl)azulene-1,3-dicarbonitrile
O(6)-Methyl-2-deoxyguanosine
C11H15N5O4 (281.11239900000004)
O6-Methyldeoxy guanosine; DNA adduct is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
fumisoquin A(1+)
A primary ammonium ion that is the conjugate acid of fumisoquin A, obtained from the protonation of the amino group. Major microspecies at pH 7.3.
cordysinin B
C11H15N5O4 (281.11239900000004)
A member of the class of adenosines that is adenosine in which the hydroxy group at position 2 is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis.
2’-Deoxy-N1-methylguanosine
C11H15N5O4 (281.11239900000004)
2’-Deoxy-N1-methylguanosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
(1r,5s,16s)-5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(2s)-2-amino-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid
2-amino-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
C11H15N5O4 (281.11239900000004)
(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
C11H15N5O4 (281.11239900000004)
5,11-dihydroxy-9-methoxy-8-methyl-2-[(1z)-prop-1-en-1-yl]-7-oxa-9-azatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
2-(4-hydroxy-3-methoxyphenyl)-1-methylquinolin-4-one
(9r,12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-9-ol
(2z)-6-hydroxy-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1h-3,1-benzoxazin-4-one
15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11,14-triol
5,5,17-trimethyl-6,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,7,9,12(16),13-hexaen-11-one
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
2,4-dihydroxy-n-[(2s)-1-methoxy-1-oxopropan-2-yl]-3,5,6-trimethylbenzenecarboximidic acid
(12'r)-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),5,7'-pentaen-4-one
4,5-dihydroxy-1-(2,3,4,5-tetrahydroxyphenoxy)cyclopent-2-ene-1-carbonitrile
1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
{"Ingredient_id": "HBIN001254","Ingredient_name": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone","Alias": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone","Ingredient_formula": "C12H15N3O3S","Ingredient_Smile": "NA","Ingredient_weight": "281.33","OB_score": "17.46586102","CAS_id": "57269-28-0","SymMap_id": "SMIT04984","TCMID_id": "NA","TCMSP_id": "MOL002801","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5'-o-methyladenosine
C11H15N5O4 (281.11239900000004)
{"Ingredient_id": "HBIN011859","Ingredient_name": "5'-o-methyladenosine","Alias": "NA","Ingredient_formula": "C11H15N5O4","Ingredient_Smile": "COCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","Ingredient_weight": "281.27 g/mol","OB_score": "22.44657067","CAS_id": "NA","SymMap_id": "SMIT08694","TCMID_id": "NA","TCMSP_id": "MOL007215","TCM_ID_id": "NA","PubChem_id": "6480505","DrugBank_id": "NA"}
avenalumin i
{"Ingredient_id": "HBIN017401","Ingredient_name": "avenalumin i","Alias": "NA","Ingredient_formula": "C16H11NO4","Ingredient_Smile": "C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)O)C(=O)O2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β- glucosidase
{"Ingredient_id": "HBIN018132","Ingredient_name": "\u03b2- glucosidase","Alias": "NA","Ingredient_formula": "C10H19NO8","Ingredient_Smile": "C(C1C(C(C(C(O1)OCC(CO)NC=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38177","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 3-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-ethyl-4-sulfanyloxolan-3-ol
15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-8-one
6-hydroxy-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurin-8-one
(1s,2s)-1-[2-(dimethylamino)-4-hydroxypteridin-6-yl]propane-1,2,3-triol
C11H15N5O4 (281.11239900000004)
(12r,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-7-ol
(14s,15s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,12(20),16,18-hexaen-15-ol
1-[2-(dimethylamino)-4-hydroxypteridin-6-yl]propane-1,2,3-triol
C11H15N5O4 (281.11239900000004)
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-17-ol
15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-4,11,14-triol
(4r,5r,6r,9r,10r)-4,9,10-trihydroxy-2-methoxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]dec-7-en-1-one
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-9-ol
3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),5,7'-pentaen-4-one
11-methoxy-5,5-dimethyl-6,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,7,9,11,13,16-heptaene
4,5-dimethoxy-9λ⁵-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-9-ylium-14-olate
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-7-ol
2,4-dihydroxy-n-(1-methoxy-1-oxopropan-2-yl)-3,5,6-trimethylbenzenecarboximidic acid
(12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
14,15-dihydroxy-10-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
(12r,13r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
5,11-dihydroxy-9-methoxy-8-methyl-2-(prop-1-en-1-yl)-7-oxa-9-azatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,12(20),16,18-hexaen-15-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
(1s,2s,5s,6s,8s,11s)-5,11-dihydroxy-9-methoxy-8-methyl-2-[(1e)-prop-1-en-1-yl]-7-oxa-9-azatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
[6-(1-methylindol-7-yl)-2h-1,3-benzodioxol-5-yl]methanol
(9s)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-8-one
4,4,17-trimethyl-3,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,5,7,9,12(16),13-hexaen-11-one
(2r,4e)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2-methylhex-4-en-1-one
(12s,13r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
10,15-dihydroxy-14-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
4,9,10-trihydroxy-2-methoxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]dec-7-en-1-one
(12s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-17-ol
6-(methoxycarbonyl)phenazine-1-carboximidic acid
C15H11N3O3 (281.08003759999997)
2-(4-hydroxyphenyl)-6-methoxy-1-methylquinolin-4-one
(1r,5s,16r)-5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
methyl (2s)-2-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate
4,9,10-trihydroxy-2-methoxy-3-methylidene-6-(prop-1-en-1-yl)-2-azaspiro[4.5]dec-7-en-1-one
17-methoxy-5,5-dimethyl-6,13-dioxa-11-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,7,9,11,14,16-heptaene
3-hydroxy-2,6,8-trimethyl-4a-(2-oxopropyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
C11H15N5O4 (281.11239900000004)