Exact Mass: 383.12633360000007
Exact Mass Matches: 383.12633360000007
Found 500 metabolites which its exact mass value is equals to given mass value 383.12633360000007,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-Acetyllactosamine
C14H25NO11 (383.14275399999997)
N-Acetyllactosamine, also known as galb1-4glcnacb or lacnac, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. N-Acetyllactosamine exists in all living organisms, ranging from bacteria to humans. Structural unit in higher oligosaccharides present in human milk N-Acetyllactosamine (LacNAc), a nitrogen-containing disaccharide, is an important component of various oligosaccharides such as glycoproteins and sialyl Lewis X. N-Acetyllactosamine can be used as the starting material for the synthesis of various oligosaccharides. N-Acetyllactosamine has prebiotic effects[1][2].
Fluazifop-butyl
C19H20F3NO4 (383.1344356000001)
CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10065 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10009; ORIGINAL_PRECURSOR_SCAN_NO 10006 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10055; ORIGINAL_PRECURSOR_SCAN_NO 10054 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10034; ORIGINAL_PRECURSOR_SCAN_NO 10033 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10019; ORIGINAL_PRECURSOR_SCAN_NO 10017 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10046; ORIGINAL_PRECURSOR_SCAN_NO 10044 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3093 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
tolfenpyrad
C21H22ClN3O2 (383.14004620000003)
CONFIDENCE standard compound; INTERNAL_ID 3873
Hydrastine
C21H21NO6 (383.13688060000004)
Hydrastine is a member of isoquinolines. It has a role as a metabolite. Hydrastine is a natural product found in Hydrastis canadensis, Fumaria indica, and other organisms with data available. See also: Goldenseal (part of). A natural product found in Hydrastis canadensis. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.582 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.578 Hydrastine is a natural alkaloid which is present in Hydrastis canadensis and other plants of the ranunculaceae family.
Lacto-N-biose I
C14H25NO11 (383.14275399999997)
Lacto-N-biose I is a common oligosaccharide found in human milk and in numerous other tissues. Oligosaccharides are important components of glycoproteins and glycolipids and also occur as free oligosaccharides in several body fluids.(PMID: 14993226; 11925506; 11432777; 9760191; 9592127; 8608564; 7591266; 7627975; 7766648; 1490103; 3146987; 6689405) [HMDB] Lacto-N-biose I is a common oligosaccharide found in human milk and in numerous other tissues. Oligosaccharides are important components of glycoproteins and glycolipids and also occur as free oligosaccharides in several body fluids.(PMID: 14993226; 11925506; 11432777; 9760191; 9592127; 8608564; 7591266; 7627975; 7766648; 1490103; 3146987; 6689405).
Lilaline
A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4 and a 4-methyl-5-oxopyrrolidin-2-yl group at position 8.
Phyllospadine
C21H21NO6 (383.13688060000004)
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4, a methoxy group at position 6 and a 1-methylpyrrolidin-2-yl group at position 8.
1-Adgmi
C14H25NO11 (383.14275399999997)
Tebipenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Atropine methobromide
C18H26BrNO3 (383.10959460000004)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics Atropine methyl bromide, a muscarinic receptor (mAChR) antagonist, is a quaternary ammonium salt of atropine and a mydriatic for dilation of the pupil during ophthalmic examination. It is introduced for relieving pyloric spasm in infants for its highly polar nature. It penetrates less readily into the central nervous system than atropine[1][2].
β-D-Galp-(1→3)-D-GalpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of D-galactopyranose at the non-reducing end joined by a (1->3) glycosidic linkage to N-acetyl-beta-D-galactopyranose.
4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine
C14H25NO11 (383.14275399999997)
Meropenem
C17H25N3O5S (383.15148400000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Meropenem (SM 7338) is a carbapenem antibiotic with broad-spectrum antibacterial activity. Meropenem has activity against susceptible and resistant N. gonorrhoeae (MIC value of 0.02-0.06 mg/mL), H. influenzae (MIC value of 0.03-0.12 mg/mL), and H. ducreyi (MIC value of 0.015-0.12 mg/mL)[1][2].
N6-succinyladenosine
Succinyladenosine (SAdo) is one of the dephosphorylated enzyme substrate that accumulates in body fluids of patients with adenylosuccinate lyase (ADSL) deficiency, the other being 5-amino-4-imidazole-N-succinocarboxamide riboside (SAICAr). ADSL is an inherited metabolic disease characterized by various degrees of psychomotor retardation (PMID 15902552). The severity of the clinical presentation correlates with a low S-Ado/SAICAr ratio in body fluids (PMID: 15571235). Normally Succinyladenosine is not found in blood or CSF but may be detected in trace amounts in urine (OMIM 103050). Succinyladenosine is also found to be associated with fumarase deficiency, another inborn error of metabolism. Succinyladenosine (SAdo) is one of the dephosphorylated enzyme substrate that accumulates in body fluids of patients with adenylosuccinate lyase (ADSL) deficiency, the other being 5-amino-4-imidazole-N-succinocarboxamide riboside (SAICAr). ADSL is an inherited metabolic disease characterized by various degrees of psychomotor retardation. (PMID 15902552)
13-Oxocryptopine
C21H21NO6 (383.13688060000004)
13-Oxocryptopine is an alkaloid from Papaver somniferum (opium poppy). Alkaloid from Papaver somniferum (opium poppy).
Gravacridonediolacetate
C21H21NO6 (383.13688060000004)
Gravacridonediolacetate is found in herbs and spices. Gravacridonediolacetate is an alkaloid from Ruta graveolens (rue). Alkaloid from Ruta graveolens (rue). Gravacridonediolacetate is found in herbs and spices.
Poly-N-acetyllactosamine
C14H25NO11 (383.14275399999997)
Poly-N-acetyllactosamine is a unique carbohydrate composed of N-acetyllactosamine repeats. In particular, poly-N-acetyllactosamine chains are synthesized by repeated alternating additions of N-acetylglucosamine and galactose, catalyzed by -1,3-N-acetylglucosaminyltransferases (poly-N-acetyllactosamine synthase) and -1,4-galactosyltransferases. What is depicted and described in this MetaboCard is a single subunit structure. Poly-N-acetyllactosamine structures occur in mammalian glycoproteins in both N- and O-linked glycans. They represent a backbone for additional modifications by fucosyltransferases, sialyltransferases and sulfotransferases. These glycans have been suggested to be involved in biospecific interactions with selectins and other glycan-binding proteins. Moreover, the poly-Nacetyllactosamine chains in N-glycans have been found to promote tumor progression and metastasis (PMID: 12570780) [HMDB] Poly-N-acetyllactosamine is a unique carbohydrate composed of N-acetyllactosamine repeats. In particular, poly-N-acetyllactosamine chains are synthesized by repeated alternating additions of N-acetylglucosamine and galactose, catalyzed by -1,3-N-acetylglucosaminyltransferases (poly-N-acetyllactosamine synthase) and -1,4-galactosyltransferases. What is depicted and described in this MetaboCard is a single subunit structure. Poly-N-acetyllactosamine structures occur in mammalian glycoproteins in both N- and O-linked glycans. They represent a backbone for additional modifications by fucosyltransferases, sialyltransferases and sulfotransferases. These glycans have been suggested to be involved in biospecific interactions with selectins and other glycan-binding proteins. Moreover, the poly-Nacetyllactosamine chains in N-glycans have been found to promote tumor progression and metastasis (PMID: 12570780).
beta-1,4-Mannosyl-N-acetylglucosamine
C14H25NO11 (383.14275399999997)
beta-1,4-Mannosyl-N-acetylglucosamine, also known as 4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine or Man(β1-4)GlcNAc, is an intermediate in aminosugar metabolism. It is a substrate of lysosomal beta-mannosidase.
Meropenem
C17H25N3O5S (383.15148400000004)
Meropenem is only found in individuals that have used or taken this drug.It is a broad-spectrum carbapenem antibiotic. It is active against Gram-positive and Gram-negative bacteria. The bactericidal activity of meropenem results from the inhibition of cell wall synthesis. Meropenem readily penetrates the cell wall of most Gram-positive and Gram-negative bacteria to reach penicillin-binding- protein (PBP) targets and interfere with the synthesis of the vital cell wall components, which leads to cell death. Its strongest affinities are toward PBPs 2, 3 and 4 of Escherichia coli and Pseudomonas aeruginosa; and PBPs 1, 2 and 4 of Staphylococcus aureus. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Meropenem (SM 7338) is a carbapenem antibiotic with broad-spectrum antibacterial activity. Meropenem has activity against susceptible and resistant N. gonorrhoeae (MIC value of 0.02-0.06 mg/mL), H. influenzae (MIC value of 0.03-0.12 mg/mL), and H. ducreyi (MIC value of 0.015-0.12 mg/mL)[1][2].
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxy-3-dibenzofuranyl)-
C24H17NO4 (383.11575220000003)
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
C14H25NO11 (383.14275399999997)
3-[5-(Dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C17H25N3O5S (383.15148400000004)
Galbeta1-3GIcNAcbeta
C14H25NO11 (383.14275399999997)
Hydrastine
C21H21NO6 (383.13688060000004)
N6-Succinyl Adenosine
N6-Succinyl Adenosine (Succinyl-AMP) is a nucleotide derivative that possesses a unique chemical structure and plays significant roles in various biological processes. Its chemical structure consists of adenosine, a nucleoside composed of the nitrogenous base adenine and ribose sugar, with an additional succinyl group attached to the N6 position of the adenine base. This succinyl group is derived from succinic acid, a four-carbon dicarboxylic acid. The presence of the succinyl group at the N6 position of adenine alters the physicochemical properties of adenosine, influencing its interactions with enzymes and other molecules in the cell. This modification is biologically relevant, as N6-succinyl adenosine is involved in several metabolic pathways and regulatory mechanisms. Biologically, N6-succinyl adenosine is known for its role in the regulation of gene expression. It can serve as a substrate for the formation of N6-threonylcarbamoyladenosine (t6A), a key modification found in the wobble position of certain tRNAs. This modification is critical for the efficiency of translation initiation and the accuracy of decoding the genetic code. Moreover, N6-succinyl adenosine is involved in the transsulfuration pathway, a metabolic route that interconverts sulfur-containing amino acids. It acts as a precursor for the synthesis of cysteine, an essential amino acid that plays a vital role in protein structure and function, as well as in the synthesis of glutathione, a major antioxidant in the cell. Additionally, N6-succinyl adenosine has been implicated in the process of protein succinylation, a novel post-translational modification where the succinyl group is transferred to lysine residues of proteins. This modification can affect protein function, stability, and cellular signaling pathways. 2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid 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. Based on a literature review very few articles have been published on 2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). N6-succinyl adenosine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N6-Succinyl Adenosine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Tebipenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Thomsen-friedenreich antigen
C14H25NO11 (383.14275399999997)
VERALIPRIDE
C17H25N3O5S (383.15148400000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Veralipride is a D2 receptor antagonist. It is an alternative antidopaminergic treatment for menopausal symptoms.
7-methylthioheptyldesulfoglucosinolate
7-methylthioheptyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylthioheptyldesulfoglucosinolate can be found in a number of food items such as brassicas, alpine sweetvetch, prunus (cherry, plum), and greenthread tea, which makes 7-methylthioheptyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
1-[1-(3,4-Dichlorobenzamidomethyl)cyclohexyl]-4-methylpiperazine
N-(2,3-Dihydro-1H-indol-1-ylcarbothioyl)-5-(2-phenylethynyl)nicotinamide
3-O-(2-Acetamido-2-deoxy-a-D-glucopyranosyl)-D-galactose
C14H25NO11 (383.14275399999997)
3-O-[2-(Acetamino)-2-deoxy-D-galactopyranosyl]-D-mannopyranose
C14H25NO11 (383.14275399999997)
1-Methyl-4-(3-(5-oxophenothiazin-10-yl)propyl)piperazine-2,5-dione
C20H21N3O3S (383.13035560000003)
2-Acetamido-2-deoxy-3-O-(|A-D-galactopyranosyl)-D-galactose
C14H25NO11 (383.14275399999997)
2-[(3,4-Dihydro-1-oxo-3-methyl-8-hydroxy-1H-2-benzopyran-7-yl)carbonylamino]-3-phenylpropanoic acid methyl ester
C21H21NO6 (383.13688060000004)
N-[(3R)-(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine|ochratoxin A
C21H21NO6 (383.13688060000004)
1-acetyl-12-glutamyl-beta-carboline-3-carboxylate|dichotomine H|N-[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]-L-glutamic acid|tunicoidine B
(+)-N-(methoxycarbonyl)-N-nordicentrin
C21H21NO6 (383.13688060000004)
1,8-dihydroxy-6-(hydroxymethyl)-3-methoxy-2-(piperidinium-2-yl) anthraquinone
C21H21NO6 (383.13688060000004)
1,2-(Methylenedioxy)-1,2-demethylcolchicine
C21H21NO6 (383.13688060000004)
(+-)-12alpha-hydroxy-13-methyl-chelidonine|(+-)-12alpha-hydroxy-corynoline|(+/-)-12-hydroxycorynoline|12-Hydroxy-corynolin|5b,13-dimethyl-(5br,12bc)-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4,5-i][1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridine-6t,7c-diol
C21H21NO6 (383.13688060000004)
O4-(2-acetylamino-2-deoxy-alpha-D-galactopyranosyl)-D-galactose|O4-(2-Acetylamino-2-desoxy-alpha-D-galactopyranosyl)-D-galactose
C14H25NO11 (383.14275399999997)
9-methoxy-6-methyl-6,9,7,8-tetrahydro-6H-spiro[[1,3]dioxolo[4,5-h]isochromene-7,5-[1,3]dioxolo[4,5-g]isoquinoline]|Papaver Rhoeas-Alkaloid A, Isorhoeadin|Rhoeadin
C21H21NO6 (383.13688060000004)
13a-hydroxy-9,10-dimethoxy-2,3-(methylenedioxy)-8,13-dioxo-5,6,13,13a-tetrahydro-8H-dibenzoquinolizine|13a-hydroxy-9,10-dimethoxy-5,13a-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-8,13-dione|8,13-dioxo-14-hydroxy-2,3-methylenedioxy-9,10-dimethoxytetrahydroprotoberberine|8,13-Dioxo-14-hydroxycanadin|prechilenine
(S)-8,13-dimethoxy-5-methyl-4a,5,6,7-tetrahydro-4H-[1,3]dioxolo[4,5:4,5]benzo[1,2,3-de][1,3]dioxolo[4,5:3,4]benzo[1,2-g]quinoline|(S)-Ocotominarine|ocotominarine|Octominarin
C21H21NO6 (383.13688060000004)
N-acetyllactosamine
C14H25NO11 (383.14275399999997)
A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre. N-Acetyllactosamine (LacNAc), a nitrogen-containing disaccharide, is an important component of various oligosaccharides such as glycoproteins and sialyl Lewis X. N-Acetyllactosamine can be used as the starting material for the synthesis of various oligosaccharides. N-Acetyllactosamine has prebiotic effects[1][2].
2-[[1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
VERALIPRIDE
C17H25N3O5S (383.15148400000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Veralipride is a D2 receptor antagonist. It is an alternative antidopaminergic treatment for menopausal symptoms.
fluazifop-P-butyl
C19H20F3NO4 (383.1344356000001)
CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10058; ORIGINAL_PRECURSOR_SCAN_NO 10056 CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10080; ORIGINAL_PRECURSOR_SCAN_NO 10078 CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10114; ORIGINAL_PRECURSOR_SCAN_NO 10111 CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10120 CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10095; ORIGINAL_PRECURSOR_SCAN_NO 10090 CONFIDENCE standard compound; INTERNAL_ID 215; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10142; ORIGINAL_PRECURSOR_SCAN_NO 10140 Fluazifop-P-butyl, a graminicide from arylophenoxypropionate group, is a acetyl-CoA carboxylase (ACCase) inhibitor[1].
Gly Gly His Asn
C14H21N7O6 (383.15532460000003)
Gly Gly Asn His
C14H21N7O6 (383.15532460000003)
Gly His Gly Asn
C14H21N7O6 (383.15532460000003)
Gly His Asn Gly
C14H21N7O6 (383.15532460000003)
Gly Asn Gly His
C14H21N7O6 (383.15532460000003)
Gly Asn His Gly
C14H21N7O6 (383.15532460000003)
His Gly Gly Asn
C14H21N7O6 (383.15532460000003)
His Gly Asn Gly
C14H21N7O6 (383.15532460000003)
His Asn Gly Gly
C14H21N7O6 (383.15532460000003)
Asn Gly Gly His
C14H21N7O6 (383.15532460000003)
Asn Gly His Gly
C14H21N7O6 (383.15532460000003)
Asn His Gly Gly
C14H21N7O6 (383.15532460000003)
14-Oxocryptopine
C21H21NO6 (383.13688060000004)
Gravacridonediolacetate
C21H21NO6 (383.13688060000004)
2,2-[[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]imino]bisethanol
C19H21N5O2S (383.14158860000003)
4-PYRIDIN-4-YL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]PYRIDINE
C21H21NO4S (383.1191226000001)
(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
C21H21NO4S (383.1191226000001)
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
C20H22BNO4S (383.13625220000006)
3-N-BOC-AMINO-1-[2-AMINO-1-(3-BROMO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-AMINO-1-[2-AMINO-1-(4-BROMO-PHENYL)-ETHYL]-PYRROLIDINE
4-hydroxy-1-methyl-3-[[4-(phenylazo)phenyl]azo]-2-quinolone
AMG-208
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
2-Acetamido-2-deoxy-6-O-(b-D-galactopyranosyl)-D-galactopyranose
C14H25NO11 (383.14275399999997)
3-O-(2-Acetamido-2-deoxy-b-D-glucopyranosyl)-D-mannopyranose
C14H25NO11 (383.14275399999997)
beta-D-Galp-(1->6)-D-GlcNAcp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of N-acetyl-D-glucosamine having a beta-D-galactosyl residue attached at the 6-position.
LY320135
C24H17NO4 (383.11575220000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063387 - Cannabinoid Receptor Antagonists
Gal-alpha1,3-GalNAc
C14H25NO11 (383.14275399999997)
tert-Butyl 4-(4-bromo-3,5-dimethylphenoxy)piperidine-1-carboxylate
C18H26BrNO3 (383.10959460000004)
methyl 1-[(2-cyanobiphenyl-4-yl)methyl]-2,3-dihydro-2-oxo-1H-benzimidazole-7-carboxylate
C23H17N3O3 (383.12698520000004)
1,3,4,6-TETRA-O-ACETYL-2-AMINO-2-DESOXY-BETA-D-GLUCOPYRANOSE HYDROCHLORIDE
C14H22ClNO9 (383.09830320000003)
b-D-Glucopyranose,2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1)
C14H22ClNO9 (383.09830320000003)
3-O-[2-(Acetylamino)-2-deoxy-D-galactopyranosyl]-D-mannopyranose
C14H25NO11 (383.14275399999997)
(R)-(+)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE
C14H19FeN 10* (383.11434640000004)
(S)-(-)-N-(1-PHENYLETHYL)SUCCINAMICACID
C14H19FeN 10* (383.11434640000004)
4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-TETRAHYDRO-THIOPYRAN-4-CARBOXYLIC ACID
C21H21NO4S (383.1191226000001)
1-(Phenylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
C20H22BNO4S (383.13625220000006)
(S)-ETHYL4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLATE
C21H21NO4S (383.1191226000001)
2-Acetamido-2-deoxy-3-O-hexopyranosylhexose
C14H25NO11 (383.14275399999997)
2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
C20H18ClN3O3 (383.10366280000005)
2-[2-Chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
2'-MeCCPA is a potent and selective A1 adenosine receptors (A1AR) agonist. 2'-MeCCPA efficiently inhibits cAMP modulation in both direct pathway medium spiny neurons (dMSNs) and indirect pathway medium spiny neurons (iMSNs)[1][2]. 2'-MeCCPA is a potent and selective A1 adenosine receptors (A1AR) agonist. 2'-MeCCPA efficiently inhibits cAMP modulation in both direct pathway medium spiny neurons (dMSNs) and indirect pathway medium spiny neurons (iMSNs)[1][2].
1-(chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
C20H18ClN3O3 (383.10366280000005)
2-Acetamido-2-deoxy-6-O-beta galactopyranosylgalactopyranose
C14H25NO11 (383.14275399999997)
2-[2,4-Dioxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
C20H21N3O3S (383.13035560000003)
2-Acetamido-2-deoxy-4-O-(B-D-galactopyranosyl)-D-galactopyranose
C14H25NO11 (383.14275399999997)
N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide
C14H25NO11 (383.14275399999997)
beta-D-GalNAc-(1->3)-D-Gal
C14H25NO11 (383.14275399999997)
A glycosylgalactose derivative consisting of D-galactose having a beta-D-N-acetylgalactosaminyl residue attached at the 3-position.
4-O-(2-acetamido-2-deoxy-beta-D-galactopyranosyl)-D-galactopyranose
C14H25NO11 (383.14275399999997)
N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
C14H25NO11 (383.14275399999997)
2-Acetamido-2-deoxy-4-O-beta-D-galactopyranosyl-D-mannopyranose
C14H25NO11 (383.14275399999997)
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
C19H21N5O2S (383.14158860000003)
2-(Acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose
C14H25NO11 (383.14275399999997)
4-({(2R,5S)-2,5-Dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-YL}carbonyl)benzonitrile
N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine
C17H25N3O5S (383.15148400000004)
N-[2-(1-Maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
C20H21N3O5 (383.14811360000004)
(1s,5s,7r)-N~7~-(Biphenyl-4-Ylmethyl)-N~3~-Hydroxy-6,8-Dioxa-3-Azabicyclo[3.2.1]octane-3,7-Dicarboxamide
C20H21N3O5 (383.14811360000004)
8-beta-Methoxy-16-methyl-2,3:10,11-bis(methylenebis(oxy))rheadan
C21H21NO6 (383.13688060000004)
N-Acetyl-D-lactosamine
C14H25NO11 (383.14275399999997)
N-Acetyllactosamine (LacNAc), a nitrogen-containing disaccharide, is an important component of various oligosaccharides such as glycoproteins and sialyl Lewis X. N-Acetyllactosamine can be used as the starting material for the synthesis of various oligosaccharides. N-Acetyllactosamine has prebiotic effects[1][2].
beta-D-Galp-(1->3)-beta-D-GalpNAc
C14H25NO11 (383.14275399999997)
A beta-D-Gal-(1->3)-D-GalNAc having beta-configuration at the reducing end anomeric centre.
(S)-7-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
C15H21N5O5S (383.12633360000007)
(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-1-ium-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
C17H25N3O5S (383.15148400000004)
2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranose
C14H25NO11 (383.14275399999997)
(3S)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
C21H21NO6 (383.13688060000004)
(2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Amoxicilloic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Phe-Asp-Cys
A tripeptide composed of L-phenylalanine, L-aspartic acid, and L-cysteine joined by peptide linkages.
beta-D-GlcpNAc-(1->3)-beta-D-Galp
C14H25NO11 (383.14275399999997)
An amino disaccharide comprising N-acetyl-beta-D-glucosamine linked (1->3) to a beta-D-galactose residue.
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
2-acetamido-2-deoxy-4-O-alpha-D-galactopyranosyl-D-galactopyranose
C14H25NO11 (383.14275399999997)
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactose
C14H25NO11 (383.14275399999997)
2-acetamido-2-deoxy-3-O-alpha-D-galactopyranosyl-beta-D-galactopyranose
C14H25NO11 (383.14275399999997)
2-acetamido-2-deoxy-3-O-alpha-D-galactopyranosyl-alpha-D-galactopyranose
C14H25NO11 (383.14275399999997)
alpha-D-galactosyl-(1->4)-N-acetylglucosamine
C14H25NO11 (383.14275399999997)
N-acetyl-alpha-D-galactosaminyl-(1->4)-beta-D-galactose
C14H25NO11 (383.14275399999997)
beta-D-GalNAc-(1->3)-beta-D-Gal
C14H25NO11 (383.14275399999997)
beta-D-GalNAc-(1->3)-D-Gal with beta configuration at the anomeric carbon of the Gal residue.
S-adenosyl-L-homocysteinate
C14H19N6O5S- (383.11375840000005)
A L-alpha-amino acid anion obtained by deprotonation of S-adenosyl-L-homocysteine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Salmonella outer core terminal disaccharide
C14H25NO11 (383.14275399999997)
16alpha-Hydroxydehydroepiandrosterone 3-sulfate(1-)
C19H27O6S- (383.15282620000005)
A steroid sulfate oxoanion that is the conjugate base of 16alpha-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3.
Beta-1,4-mannose-N-acetylglucosamine
C14H25NO11 (383.14275399999997)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2,4-Difluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone
4-[[Oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]amino]benzoic acid methyl ester
C23H17N3O3 (383.12698520000004)
N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide
C20H21N3O5 (383.14811360000004)
2-(4-Methylphenyl)sulfonyl-1-(4,6,7-trimethylquinazolin-2-yl)guanidine
C19H21N5O2S (383.14158860000003)
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
C19H21N5O2S (383.14158860000003)
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
C23H17N3O3 (383.12698520000004)
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)-4-piperidinecarboxamide
C20H21N3O3S (383.13035560000003)
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethylphenyl)-3-hydroxy-5-nitro-4-triazolimine
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
C15H21N5O3S2 (383.10857560000005)
N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannose
C14H25NO11 (383.14275399999997)
An amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->4) to D-mannose.
3-[5-(2,5-Dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxadiazol-2-yl]-1-benzopyran-2-one
C23H17N3O3 (383.12698520000004)
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide
C14H25NO11 (383.14275399999997)
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
C14H25NO11 (383.14275399999997)
3-Pyridin-2-yl-2-(4-quinolin-4-ylphenyl)-1,3-thiazolidin-4-one
2-O-(2-Acetamido-2-deoxy-b-D-glucopyranosyl)-D-mannopyranose
C14H25NO11 (383.14275399999997)
N-acetyl-beta-D-galactosaminyl-(1->2)-beta-D-galactose
C14H25NO11 (383.14275399999997)
N-acetyl-alpha-D-galactosaminyl-(1->2)-beta-D-galactose
C14H25NO11 (383.14275399999997)
2-(Acetylamino)-2-Deoxy-4-O-Beta-D-Galactofuranosyl-Alpha-D-Glucopyranose
C14H25NO11 (383.14275399999997)
N-acetyl-beta-D-glucosaminyl-(1->4)-D-galactose
C14H25NO11 (383.14275399999997)
2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-D-manno-hexopyranose
C14H25NO11 (383.14275399999997)
galactosyl (1-3)-N-acetyl galactosamine
C14H25NO11 (383.14275399999997)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
2-[(5E)-2,4-dioxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
C20H21N3O3S (383.13035560000003)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
C17H25N3O5S (383.15148400000004)
beta-D-GlcpNAc-(1->2)-beta-D-Glcp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of an beta-D-glucose residue having an N-acetyl-beta-D-glucosaminyl residue attached at the 2-position.
D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine
C14H25NO11 (383.14275399999997)
7-(Methylthio)heptyldesulfoglucosinolate
An omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfany)alkyl group is specified as 7-(methylsulfanyl)heptyl.
2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-beta-D-manno-hexopyranose
C14H25NO11 (383.14275399999997)
D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
C14H25NO11 (383.14275399999997)
2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranose
C14H25NO11 (383.14275399999997)
D-manno-hexopyranosyl 2-acetamido-2-deoxy-D-gluco-hexopyranoside
C14H25NO11 (383.14275399999997)
D-gluco-hexopyranosyl 2-acetamido-2-deoxy-D-gluco-hexopyranoside
C14H25NO11 (383.14275399999997)
D-galacto-hexopyranosyl 2-acetamido-2-deoxy-D-gluco-hexopyranoside
C14H25NO11 (383.14275399999997)
(4R,5S,6R)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C17H25N3O5S (383.15148400000004)
2-[(4E)-4-[[1-(3-ethoxycarbonylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
6-Bromo-3-methyl-9-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4-tetrahydro-gamma-carboline
C20H22BrN3 (383.09969920000003)
Galbeta1,3GlcNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of beta-D-galactose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine.
atropine methyl bromide
C18H26BrNO3 (383.10959460000004)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics Atropine methyl bromide, a muscarinic receptor (mAChR) antagonist, is a quaternary ammonium salt of atropine and a mydriatic for dilation of the pupil during ophthalmic examination. It is introduced for relieving pyloric spasm in infants for its highly polar nature. It penetrates less readily into the central nervous system than atropine[1][2].
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside
C14H25NO11 (383.14275399999997)
beta-D-Gal-(1->3-)-alpha-D-GalNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide composed of D-galactose and N-acetyl-alpha-D-galactosaminyl residues in beta-(1->3) linkage.
FLUAZIFOP-BUTYL
C19H20F3NO4 (383.1344356000001)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Succinyladenosine
An aspartic acid derivative that is L-aspartic acid in which one of the amine hydrogens is substituted by a 9-beta-D-ribofuranosyl-9H-purin-6-yl group.
beta-D-Manp-(1->4)-beta-D-GlcpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide comprising a beta-D-mannose residue linked (1->4) to an N-acetyl-beta-D-glucosamine residue at the reducing end.
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
C14H25NO11 (383.14275399999997)
3-[5-(Dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C17H25N3O5S (383.15148400000004)
alpha-D-GalNAc-(1->3)-D-Gal
C14H25NO11 (383.14275399999997)
A glycosylgalactose derivative consisting of D-galactose having an alpha-D-N-acetylgalactosaminyl residue attached at the 3-position.
alpha-D-Galp-(1->4)-D-GalpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of N-acetylgalactosamine having an alpha-D-galactosyl residue at the 4-position
alpha-D-GalpNAc-(1->3)-beta-D-Galp
C14H25NO11 (383.14275399999997)
An alpha-D-GalNAc-(1->3)-D-Gal having beta-configuration at the reducing end anomeric centre.
Galp-alpha-(1->4)-GlcpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide formed of alpha-D-galactopyranose in (1->4)-linkage with 2-acetamido-2-deoxyglucopyranose.
alpha-D-GalpNAc-(1->4)-beta-D-Galp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of beta-D-galactose having an N-acetyl-alpha-D-galactosaminyl residue attached at the 4-position.
beta-D-GalpNAc-(1->2)-beta-D-Galp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of beta-D-galactose having an N-acetyl-beta-D-galactosaminyl residue attached at the 2-position.
alpha-D-GalpNAc-(1->2)-beta-D-Galp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of beta-D-galactose having an N-acetyl-alpha-D-galactosaminyl residue attached at the 2-position.
beta-D-GlcpNAc-(1->3)-D-Manp
C14H25NO11 (383.14275399999997)
An amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->3) to D-mannose.
beta-D-Galp-(1->3)-beta-D-GlcpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of beta-D-galactose linked via a (1->3)-glycosidic bond to N-acetyl-beta-D-glucosamine. beta-D-Galp-(1->3)-beta-D-GlcpNAc in which the configuration at the reducing-end anomeric centre is beta.
beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine
C14H25NO11 (383.14275399999997)
A disaccharide consisting of beta-D-galactose linked via a (1->4)-glycosidic bond to N-acetyl-D-glucosamine.
beta-D-GalNAc-(1->4)-D-Gal
C14H25NO11 (383.14275399999997)
A glycosylgalactose derivative consisting of D-galactose having a beta-D-N-acetylgalactosaminyl residue attached at the 4-position.
alpha-D-Galp-(1->3)-D-GalpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of N-acetylgalactosamine having an alpha-D-galactosyl residue at the 3-position
alpha-D-Galp-(1->3)-alpha-D-GalpNAc
C14H25NO11 (383.14275399999997)
An alpha-D-Galp-(1->3)-D-GalpNAc in which the anomeric centre at the reducing end has alpha-configuration.
alpha-D-GlcpNAc-(1->2)-alpha-D-Glcp
C14H25NO11 (383.14275399999997)
An amino disaccharide consisting of an alpha-D-glucose residue having an N-acetyl-alpha-D-glucosaminyl residue attached at the 2-position.
alpha-D-Galp-(1->4)-beta-D-GlcpNAc
C14H25NO11 (383.14275399999997)
An amino disaccharide composed of D-galactose and 2-acetamido-2-deoxy-beta-D-glucopyranosyl residues in (alpha-1->4) linkage.
alpha-D-Galp-(1->3)-beta-D-GalpNAc
C14H25NO11 (383.14275399999997)
An alpha-D-Galp-(1->3)-D-GalpNAc in which the anomeric centre at the reducing end has beta-configuration.
Fmoc-Glu-OMe
C21H21NO6 (383.13688060000004)
Fmoc-Glu-OMe, a glutamic acid derivative, shows antibacterial activity and gelation property in AgNO3 solution. Fmoc-Glu-OMe is a mouldable wound healing biomaterial[1].
(3r)-3-hydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaene-2,10-dione
(11s)-11-hydroxy-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-12-one
C21H21NO6 (383.13688060000004)
6-[2-(1,4-dihydroxypentyl)-1,3-thiazol-4-yl]-3-hydroxy-4,5-dimethoxypyridine-2-carboximidic acid
24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
C21H21NO6 (383.13688060000004)
8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C18H22ClNO6 (383.11355820000006)
n-{5,19-dimethoxy-6-oxo-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(12),2,4,7,13,18-hexaen-9-yl}ethanimidic acid
C21H21NO6 (383.13688060000004)
n-{5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.0²,⁸.0³,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl}ethanimidic acid
C21H21NO6 (383.13688060000004)
5-amino-6-{[5-(2h-1,3-benzodioxol-5-ylmethyl)-2-iminoimidazol-4-yl]amino}-1,3-dimethylpyrimidine-2,4-dione
11-hydroxy-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-12-one
C21H21NO6 (383.13688060000004)
n-[(2r,3r,4r,5s,6r)-2-{[(3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
C14H25NO11 (383.14275399999997)
10-(6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H21NO6 (383.13688060000004)
4-{[1-(hydroxymethyl)-8-methoxy-3-methyl-9-oxoxanthen-2-yl]oxy}-2-methylbut-2-enimidic acid
C21H21NO6 (383.13688060000004)
3-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2(10),3,8,14,16,21-hexaen-12-ol
C21H21NO6 (383.13688060000004)
12-hydroxycorynoline
C21H21NO6 (383.13688060000004)
{"Ingredient_id": "HBIN000875","Ingredient_name": "12-hydroxycorynoline","Alias": "NA","Ingredient_formula": "C21H21NO6","Ingredient_Smile": "CC12C(C(C3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O)O","Ingredient_weight": "383.4 g/mol","OB_score": "28.12224581","CAS_id": "104574-44-9","SymMap_id": "SMIT00731","TCMID_id": "9937","TCMSP_id": "MOL008631","TCM_ID_id": "NA","PubChem_id": "101806253","DrugBank_id": "NA"}
(1r,9r)-hydrastine
C21H21NO6 (383.13688060000004)
{"Ingredient_id": "HBIN003166","Ingredient_name": "(1r,9r)-hydrastine","Alias": "NA","Ingredient_formula": "C21H21NO6","Ingredient_Smile": "CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9702","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,14r,24r)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
C21H21NO6 (383.13688060000004)
6-[(1s)-6,7-dimethoxy-3-oxo-1h-2-benzofuran-1-yl]-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-one
(1r,14s,24r)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
C21H21NO6 (383.13688060000004)
n-{5,14-dimethoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.0²,⁸.0¹⁵,¹⁹]nonadeca-1(12),2,4,7,13,15(19)-hexaen-9-yl}ethanimidic acid
C21H21NO6 (383.13688060000004)
n-(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid
C14H25NO11 (383.14275399999997)
(7s,8s)-8-hydroxy-6',7'-dimethoxy-2'-methyl-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6-one
C21H21NO6 (383.13688060000004)
(1r,12s,13s)-3-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2(10),3,8,14,16,21-hexaen-12-ol
C21H21NO6 (383.13688060000004)
(3s)-3-hydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaene-2,10-dione
3,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-1h-isoindol-5-yl 2,4-dihydroxy-6-methylbenzoate
C21H21NO6 (383.13688060000004)
8-hydroxy-6',7'-dimethoxy-2'-methyl-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6-one
C21H21NO6 (383.13688060000004)
n-[(9r)-5,19-dimethoxy-6-oxo-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(12),2,4,7,13,18-hexaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
n-[(9s)-5,14-dimethoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.0²,⁸.0¹⁵,¹⁹]nonadeca-1(12),2,4,7,13,15(19)-hexaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
n-[(9r)-5,14-dimethoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.0²,⁸.0¹⁵,¹⁹]nonadeca-1(12),2,4,7,13,15(19)-hexaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
(3s)-6,7-dimethoxy-3-{6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-3h-2-benzofuran-1-one
C21H21NO6 (383.13688060000004)
(10r)-10-[(1s)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H21NO6 (383.13688060000004)
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-carbonitrile
(1r,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C18H22ClNO6 (383.11355820000006)
(1s,14r,24s)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
C21H21NO6 (383.13688060000004)
4-[2,4,5-trihydroxy-3-methoxy-4-(4-methoxyphenyl)-3h-quinolin-6-yl]but-3-en-2-one
C21H21NO6 (383.13688060000004)
5-methoxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.0⁴,¹².0⁶,¹⁰.0¹⁸,²²]tetracosa-1(24),4(12),5,10,17,22-hexaen-3-one
C21H21NO6 (383.13688060000004)
n-[(3r,7r,9s)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.0²,⁸.0³,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
(1r,12r,13r)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
C21H21NO6 (383.13688060000004)
n-[(3s,7r,9s)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.0²,⁸.0³,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
C21H21NO6 (383.13688060000004)
(1s,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C18H22ClNO6 (383.11355820000006)
(1r)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-3',5',12'-trioxaspiro[isoquinoline-1,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-triene-10',13'-dione
(3s)-6,7-dimethoxy-3-[(5s)-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-2-benzofuran-1-one
C21H21NO6 (383.13688060000004)
(1r,11r,12r,13r)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
C21H21NO6 (383.13688060000004)
3,5,7-trihydroxy-8-[(2r,4s)-5-hydroxy-4-methyl-3,4-dihydro-2h-pyrrol-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
6-(6,7-dimethoxy-3-oxo-1h-2-benzofuran-1-yl)-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-one
n-[(9s)-5,19-dimethoxy-6-oxo-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(12),2,4,7,13,18-hexaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
4-({3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}methyl)-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl
(3s,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-carbonitrile
(10s)-10-[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H21NO6 (383.13688060000004)
(5s,13's)-13'-methoxy-6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-triene
C21H21NO6 (383.13688060000004)
(7r,8s)-8-hydroxy-6',7'-dimethoxy-2'-methyl-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6-one
C21H21NO6 (383.13688060000004)
n-[(2r,3r,4r,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
C14H25NO11 (383.14275399999997)
(3s)-3-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-3-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}propanoic acid
n-[(3r,9s)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.0²,⁸.0³,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]ethanimidic acid
C21H21NO6 (383.13688060000004)
7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-3',5',12'-trioxaspiro[isoquinoline-1,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-triene-10',13'-dione
13'-methoxy-6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-triene
C21H21NO6 (383.13688060000004)
8'-hydroxy-7'-methoxy-6-methyl-7,8-dihydro-2h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,3'-[2]benzopyran]-1',4'-dione
3-hydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaene-2,10-dione
(3e)-4-[(3r,4r)-2,4,5-trihydroxy-3-methoxy-4-(4-methoxyphenyl)-3h-quinolin-6-yl]but-3-en-2-one
C21H21NO6 (383.13688060000004)