Exact Mass: 383.09830320000003
Exact Mass Matches: 383.09830320000003
Found 500 metabolites which its exact mass value is equals to given mass value 383.09830320000003,
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].
Pantoprazole
C16H15F2N3O4S (383.07512940000004)
Pantozol; Pantoprazole (brand names Pantopan in Italy; Protium; Protonix; Pantozol; Pantor; Pantoloc) is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease. Initial treatment is generally of eight weeks duration, after which another eight week course of treatment may be considered if necessary. It can be used as a maintenance therapy for long term use after initial response is obtained; Pantoprazole is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease. Initial treatment is generally of eight weeks duration, after which another eight week course of treatment may be considered if necessary. It can be used as a maintenance therapy for long term use after initial response is obtained. Pantoprazole is metabolized in the liver by the cytochrome P450 system. Metabolism mainly consists of demethylation by CYP2C19 followed by sulfation. Another metabolic pathway is oxidation by CYP3A4. Pantoprazole metabolites are not thought to have any pharmacological significance; Protium; Pantor; Pantoloc) is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease. Initial treatment is generally of eight weeks duration, after which another eight week course of treatment may be considered if necessary. It can be used as a maintenance therapy for long term use after initial response is obtained; Protonix; Pantoprazole (brand names Pantopan in Italy. Pantozol; Pantoprazole (brand names Pantopan in Italy; Protium; Protonix; Pantozol; Pantor; Pantoloc) is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease. Initial treatment is generally of eight weeks duration, after which another eight week course of treatment may be considered if necessary. It can be used as a maintenance therapy for long term use after initial response is obtained; Pantoprazole is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease. Initial treatment is generally of eight weeks duration, after which another eight week course of treatment may be considered if necessary. It can be used as a maintenance therapy for long term use after initial response is obtained. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors CONFIDENCE standard compound; INTERNAL_ID 8336 CONFIDENCE standard compound; INTERNAL_ID 2274
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).
Brinzolamide
Brinzolamide is a highly specific, non-competitive, reversible carbonic anhydrase inhibitor. Carbonic anhydrase (CA) is an enzyme found in many tissues of the body including the eye. It catalyzes the reversible reaction involving the hydration of carbon dioxide and the dehydration of carbonic acid. In humans, carbonic anhydrase exists as a number of isoenzymes, the most active being carbonic anhydrase II (CA-II). Inhibition of carbonic anhydrase in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport. The result is a reduction in intraocular pressure. Brinzolamide is indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor
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.
2-(S-Glutathionyl)acetyl chloride
C12H18ClN3O7S (383.05539480000004)
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
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
S-(2-Chloroacetyl)glutathione
C12H18ClN3O7S (383.05539480000004)
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
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)
felodipine
C18H19Cl2NO4 (383.06910740000006)
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Felodipine
C18H19Cl2NO4 (383.06910740000006)
Felodipine is a long-acting 1,4-dihydropyridine calcium channel blocker (CCB)b. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, felodipine prevents calcium-dependent myocyte contraction and vasoconstriction. Felodipine is the most potent CCB in use and is unique in that it exhibits fluorescent activity. In addition to binding to L-type calcium channels, felodipine binds to a number of calcium-binding proteins, exhibits competitive antagonism of the mineralcorticoid receptor, inhibits the activity of calmodulin-dependent cyclic nucleotide phosphodiesterase, and blocks calcium influx through voltage-gated T-type calcium channels. Felodipine is used to treat mild to moderate essential hypertension. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
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.
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxy-3-dibenzofuranyl)-
C24H17NO4 (383.11575220000003)
3h-Felodipine
C18H19Cl2NO4 (383.06910740000006)
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)
5-O-Ethyl 3-O-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
C18H19Cl2NO4 (383.06910740000006)
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)
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.
pantoprazole
C16H15F2N3O4S (383.07512940000004)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 644
Nitidine chloride
C21H18NO4+.Cl- (383.09242980000005)
Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6].
Chelerythrine
C21H18NO4+.Cl- (383.09242980000005)
Chelerythrine chloride is a potent, cell-permeable inhibitor of protein kinase C, with an IC50 of 660 nM. Chelerythrine chloride inhibits the Bcl-XL-Bak BH3 peptide binding with IC50 of 1.5 μM and displaces Bax from Bcl-XL. Chelerythrine chloride induces apoptosis and autophagy. Chelerythrine chloride is a potent, cell-permeable inhibitor of protein kinase C, with an IC50 of 660 nM. Chelerythrine chloride inhibits the Bcl-XL-Bak BH3 peptide binding with IC50 of 1.5 μM and displaces Bax from Bcl-XL. Chelerythrine chloride induces apoptosis and autophagy.
Nitidine
C21H18NO4+.Cl- (383.09242980000005)
Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6].
Hysco
Scopolamine hydrobromide appears as colorless crystals or white powder or solid. Has no odor. pH (of 5\\% solution): 4-5.5. Slightly efflorescent in dry air. Bitter, acrid taste. (NTP, 1992) Scopolamine hydrobromide (anhydrous) is a hydrobromide that is obtained by reaction of scopolamine with hydrogen bromide. It has a role as a muscarinic antagonist. It contains a scopolamine(1+). Scopolamine Hydrobromide is the hydrobromide salt form of scopolamine, a tropane alkaloid derived from plants of the nightshade family (Solanaceae), specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties. Structurally similar to acetylcholine, scopolamine antagonizes acetylcholine activity mediated by muscarinic receptors located on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. The agent is used to cause mydriasis, cycloplegia, to control the secretion of saliva and gastric acid, to slow gut motility, and prevent vomiting. An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
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)
6-(2-(6,8-dioxo-6H-[1,3]dioxolo[4,5-e]isoindol-7(8H)-yl)ethyl)benzo[d][1,3]dioxole-5-carboxylic acid|coptichinamide
C19H13NO8 (383.06411380000003)
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)
Chelerythrine
C21H18ClNO4 (383.09242980000005)
Chelerythrine chloride is a potent, cell-permeable inhibitor of protein kinase C, with an IC50 of 660 nM. Chelerythrine chloride inhibits the Bcl-XL-Bak BH3 peptide binding with IC50 of 1.5 μM and displaces Bax from Bcl-XL. Chelerythrine chloride induces apoptosis and autophagy. Chelerythrine chloride is a potent, cell-permeable inhibitor of protein kinase C, with an IC50 of 660 nM. Chelerythrine chloride inhibits the Bcl-XL-Bak BH3 peptide binding with IC50 of 1.5 μM and displaces Bax from Bcl-XL. Chelerythrine chloride induces apoptosis and autophagy.
Hysco
Scopolamine hydrobromide appears as colorless crystals or white powder or solid. Has no odor. pH (of 5\\% solution): 4-5.5. Slightly efflorescent in dry air. Bitter, acrid taste. (NTP, 1992) Scopolamine hydrobromide (anhydrous) is a hydrobromide that is obtained by reaction of scopolamine with hydrogen bromide. It has a role as a muscarinic antagonist. It contains a scopolamine(1+). Scopolamine Hydrobromide is the hydrobromide salt form of scopolamine, a tropane alkaloid derived from plants of the nightshade family (Solanaceae), specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties. Structurally similar to acetylcholine, scopolamine antagonizes acetylcholine activity mediated by muscarinic receptors located on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. The agent is used to cause mydriasis, cycloplegia, to control the secretion of saliva and gastric acid, to slow gut motility, and prevent vomiting. An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Nitidine
C21H18ClNO4 (383.09242980000005)
Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6]. Nitidine chloride, a potential anti-malarial lead compound derived from Zanthoxylum nitidum (Roxb) DC, exerts potent anticancer activity through diverse pathways, including inducing apoptosis, inhibiting STAT3 signaling cascade, DNA topoisomerase 1 and 2A, ERK and c-Src/FAK associated signaling pathway. Nitidine chloride inhibits LPS-induced inflammatory cytokines production via MAPK and NF-kB pathway[1][2][3][4][5][6].
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].
pantoprazole
C16H15F2N3O4S (383.07512940000004)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
2-[[1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
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].
14-Oxocryptopine
C21H21NO6 (383.13688060000004)
Gravacridonediolacetate
C21H21NO6 (383.13688060000004)
4-(3-chloro-4-Methoxybenzylamino)-5-ethoxycarbonyl-2-Methylsulfinylpyrimidine
C16H18ClN3O4S (383.07064980000007)
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
3-[4-(4-METHOXYPHENYL)PHENYLSULFONAMIDO]BENZOIC ACID
C20H17NO5S (383.08273920000005)
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
(trans)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(S)-(((1-(4-BENZAMIDO-2-OXOPYRIMIDIN-1(2H)-YL)-3-HYDROXYPROPAN-2-YL)OXY)METHYL)PHOSPHONIC ACID
Boc-(S)-alpha-(4-Bromobenzyl)-Proline
C17H22BrNO4 (383.07321120000006)
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)
4-(4-BROMOPHENYL)-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID
C17H22BrNO4 (383.07321120000006)
ethyl 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
C17H18ClNO5S (383.05941680000006)
TERT-BUTYL (2-(4-BROMOPHENYL)-5,8-DIOXASPIRO[3.4]OCTAN-2-YL)CARBAMATE
C17H22BrNO4 (383.07321120000006)
1,3,4,6-TETRA-O-ACETYL-2-AMINO-2-DESOXY-BETA-D-GLUCOPYRANOSE HYDROCHLORIDE
C14H22ClNO9 (383.09830320000003)
CGP 52432
C15H24Cl2NO4P (383.08199340000004)
CGP52432 is a GABAB receptor antagonist, with an IC50 of 85 nM.
b-D-Glucopyranose,2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1)
C14H22ClNO9 (383.09830320000003)
tert-Butyl 6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4-piperidine]-1-carboxylate
C17H22BrNO4 (383.07321120000006)
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)
2-(1-adamantylamino)-1-(4-chlorophenyl)ethanone hydrobromide
C18H23BrClNO (383.06514380000004)
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)
Fenoterol hydrobromide
C17H22BrNO4 (383.07321120000006)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Fenoterol hydrobromide (Th-1165a), a sympathomimetic agent, is a selective and orally active β2-adrenoceptor agonist. Fenoterol hydrobromide is an effective bronchodilator and can be used for bronchospasm associated with asthma, bronchitis and other obstructive airway diseases research[1][2].
3-(3,4-DICHLOROPHENOXY)-1-(DIPHENYLMETHYL)AZETIDINE
C22H19Cl2NO (383.08436240000003)
(S)-ETHYL4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLATE
C21H21NO4S (383.1191226000001)
(3AS,7AS)-BENZYL 2-(BROMOMETHYL)-2-METHOXYHEXAHYDROFURO[3,2-B]PYRIDINE-4(2H)-CARBOXYLATE
C17H22BrNO4 (383.07321120000006)
2-Acetamido-2-deoxy-3-O-hexopyranosylhexose
C14H25NO11 (383.14275399999997)
Metampicillin sodium
C17H18N3NaO4S (383.09156680000007)
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
2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
C20H18ClN3O3 (383.10366280000005)
5-Methylaminomethyl-2-thiouridine 5-monophosphate
C11H18N3O8PS (383.05521980000003)
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)
3-(1-azepanylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide
C17H16F3N3O2S (383.09152720000003)
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)
3-({4-[(5-Chloro-1,3-benzodioxol-4-YL)amino]pyrimidin-2-YL}amino)benzamide
4-({(2R,5S)-2,5-Dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-YL}carbonyl)benzonitrile
N-[2-(1-Maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
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)
2,6,8-Trihydroxy-5,10-dioxo-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-4-olate
4-(3-Acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-oxobutanoate
Glionitrin B
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines A natural product found in Sphingomonas species and Aspergillus fumigatus.
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.
2-methyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}pentanamide
6-[[(4-Chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
C19H14ClN3O2S (383.04952140000006)
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
C19H17N3O4S (383.09397220000005)
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)
6-Chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinoline
C22H14ClN5 (383.09376740000005)
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.
Hydroxyversicolorone(1-)
A phenolate anion obtained by deprotonation of the 8-hydroxy group of hydroxyversicolorone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
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)
3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide
C19H14ClN3O2S (383.04952140000006)
3-chloro-N-[3-(4-morpholinyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide
C16H18ClN3O4S (383.07064980000007)
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)
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)
N-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
C19H14ClN3O4 (383.0672794000001)
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.
5-(1-Phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidine
C20H13N7S (383.09530980000005)
2-(4-chlorophenoxy)-N-(2-thiophen-2-yl-3-imidazo[1,2-a]pyridinyl)acetamide
C19H14ClN3O2S (383.04952140000006)
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)
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)
tetracenomycin F2(1-)
A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F2, obtained by deprotonation of the carboxy group.
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)
2-[(4E)-4-[[1-(3-ethoxycarbonylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
3-[3-[(E)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
C19H17N3O4S (383.09397220000005)
6-Bromo-3-methyl-9-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4-tetrahydro-gamma-carboline
C20H22BrN3 (383.09969920000003)
Brinzolamide
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor
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)
chromopyrrolate(2-)
C22H13N3O4 (383.09060180000006)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of chromopyrrolic acid; major microspecies at pH 7.3.
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.
2-(S-Glutathionyl)acetyl chloride
C12H18ClN3O7S (383.05539480000004)
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)
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
(2r)-3',4'-dichloro-7-hexyl-6-hydroxy-1'-methylspiro[1-benzofuran-2,2'-pyrrole]-3,5'-dione
C18H19Cl2NO4 (383.06910740000006)
(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)
3-{[6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-tetrahydro-3ah-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy}-3-oxopropanoic acid
C16H17NO10 (383.08524220000004)
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
{4,5-dihydroxy-3-[2-(c-hydroxycarbonimidoyl)acetyl]-9,10-dioxoanthracen-2-yl}acetic acid
C19H13NO8 (383.06411380000003)
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
3-{[(3ar,5r,6s,7s,7ar)-6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-tetrahydro-3ah-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy}-3-oxopropanoic acid
C16H17NO10 (383.08524220000004)
(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)
(2r)-3',4'-dichloro-6-hydroxy-1'-methyl-7-(4-methylpentyl)spiro[1-benzofuran-2,2'-pyrrole]-3,5'-dione
C18H19Cl2NO4 (383.06910740000006)
(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)