Exact Mass: 480.1082
Exact Mass Matches: 480.1082
Found 425 metabolites which its exact mass value is equals to given mass value 480.1082,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gossypin
A glycosyloxyflavone that is gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. Acquisition and generation of the data is financially supported in part by CREST/JST. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2]. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2].
Cefepime
Cefepime is a fourth-generation cephalosporin antibiotic developed in 1994. Cefepime has an extended spectrum of activity against Gram-positive and Gram-negative bacteria, with greater activity against both Gram-negative and Gram-positive organisms than third-generation agents. Cefepime is usually reserved to treat severe nosocomial pneumonia, infections caused by multi-resistant microorganisms (e.g. Pseudomonas aeruginosa) and empirical treatment of febrile neutropenia. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DE - Fourth-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins 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
Blestriarene B
11-o-Galloylbergenin
Cryptocyanine
D004396 - Coloring Agents > D002232 - Carbocyanines
Staphyloferrin A
A D-ornithine derivative obtained by formal condensation of the terminal carboxy groups of two citric acid units with the two amino groups of D-ornithine.
Myricetin 3-galactoside
Myricetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a pentahydroxyflavone and a glycosyloxyflavone. It is functionally related to a beta-D-galactose and a myricetin. Myricetin 3-galactoside is a natural product found in Saxifraga tricuspidata, Kunzea ambigua, and other organisms with data available. Myricetin 3-galactoside is found in allspice. Myricetin 3-galactoside occurs in Thea sinensis (tea) and other plant Occurs in Thea sinensis (tea) and other plants. Myricetin 3-galactoside is found in allspice and tea. A glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3.
Quercetagitrin
Quercetagitrin is isolated from petals of Tagetes erecta (African marigold Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
2,3-Dehydrosilybin
2,3-Dehydrosilybin is found in coffee and coffee products. 2,3-Dehydrosilybin is a constituent of Silybum marianum (milk thistle). Constituent of Silybum marianum (milk thistle). 2,3-Dehydrosilybin is found in coffee and coffee products and green vegetables. D000970 - Antineoplastic Agents D020011 - Protective Agents
3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]-4H-1-benzopyran-4-one
Torachrysone 8-(6-oxalylglucoside)
Torachrysone 8-(6-oxalylglucoside) is found in green vegetables. Torachrysone 8-(6-oxalylglucoside) is a constituent of a Rhei sp. Constituent of a Rhei species Torachrysone 8-(6-oxalylglucoside) is found in green vegetables.
Melledonal C
Melledonal C is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom)
2,3-Dehydrosilychristin
2,3-Dehydrosilychristin is a constituent of the fruit of Silybum marianum anatolicum. Constituent of the fruit of Silybum marianum anatolicum
Myricetin 3'-glucoside
Myricetin 3-glucoside is found in fruits. Myricetin 3-glucoside occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum Occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum). Myricetin 3-glucoside is found in tea and fruits.
4'-O-Methylepicatechin 7-O-glucuronide
4-O-Methylepicatechin 7-O-glucuronide (4ME7G) belongs to the class of organic compounds known as flavonoid-7-O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. 4-O-Methyl-(-)-epicatechin 7-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). (−)-Epicatechin is taken up by Caco-2 cells (i.e. intestinal epithelial cells) and intracellularly metabolized into many products including 4ME7G (PMID: 24717599). 4ME7G is a cocoa metabolite from gut microflora. It has been found in urine.
Quercetin-3'-glucuronide
Quercetin 3-glucuronide is a metabolite of the dietary flavonols found in plasma and urine.
3'-O-Methylepicatechin 7-O-glucuronide
3-O-Methylepicatechin 7-O-glucuronide (3ME7G) belongs to the class of organic compounds known as flavonoid-7-O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. 3-O-Methyl-(-)-epicatechin 7-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). (−)-Epicatechin is taken up by HUVECs (i.e. endothelial cells) and intracellularly metabolized into 3ME7G and 3-O-methylepicatechin 7-O-sulfate (3ME7S) (PMID: 24717599). 3ME7G is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide
4-O-Methyl-(-)-epicatechin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Sorafenib N-oxide
Sorafenib N-oxide is a metabolite of sorafenib. Sorafenib (co-developed and co-marketed by Bayer and Onyx Pharmaceuticals as Nexavar), is a drug approved for the treatment of primary kidney cancer and advanced primary liver cancer. (Wikipedia) D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
4'-Methylepicatechin 5-glucuronide
(2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methyl-pyrazol-1-yl)-3-pyridyl)methanol
LY2940094 (BTRX-246040) is a potent, selective and orally available nociceptin receptor (NOP receptor) antagonist with high affinity (Ki=0.105 nM) and antagonist potency (Kb=0.166 nM). LY2940094 reduces ethanol self-administration in animal models[1].
Gossypetin 8-glucoside
Lobeglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[[3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-Hydroxy-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
Myricetin 3-glucoside
Myricetin 3-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Myricetin 3-glucoside can be found in a number of food items such as blackcurrant, common grape, highbush blueberry, and tea, which makes myricetin 3-glucoside a potential biomarker for the consumption of these food products.
Quercetagetin 6-glucoside
Zeravschanoside
Blestrin D
Blestrin D is a natural product found in Bletilla striata with data available.
3,5,7,2,3,4-Hexahydroxyflavone 3-glucoside
Ampelopsin 3-methyl ether 4-rhamnoside
Isomyricitrin
Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a plant metabolite. It is a myricetin O-glucoside, a beta-D-glucoside, a monosaccharide derivative and a pentahydroxyflavone. It is functionally related to a beta-D-glucose. It is a conjugate acid of a myricetin 3-O-beta-D-glucopyranoside(1-). myricetin 3-O-beta-D-glucopyranoside is a natural product found in Saxifraga tricuspidata, Libocedrus yateensis, and other organisms with data available. Myricetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.
Quercetagetin 7-glucoside
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
(2S)-5,7,2,5-tetrahydroxy-6-methoxyflavanone 2-O-beta-D-glucopyranoside
(2S,3R)-3,10-dimethoxy-9-O-(5,6-dimethoxy-2-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one
5,5-dihydroxy-6-methyl-[6,6-dimethylpyrano(2,3:7,8)]-[2H-4(S),5(R)-dihydroxy-6,6-dimethylpyrano(2,3:4,3)]coumaronochromone|triquetrumone C
3-3Linked-(2-hydroxy-4-hydroxychalcone)-(2-hydroxy-4-hydroxy dihydrochalcone)
7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside
4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside
8-C-glucopyranosyl-7-methoxydihydroflavonol|noidesol A
2,4,8,9,10-pentahydroxy-3,7-dimethoxyanthracene-6-O-alpha-L-rhamnopyranoside
4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,1-biphenanthrene|Monbarbatain B
4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,6-biphenanthrene|Monbarbatain C
6,8-dihydroxykaempferol-3-O-beta-D-glucopyranoside
6-C-glucopyranosyl-4-methoxydihydroflavonol|noidesol B
(rel)-1beta,4alpha-di(2,4-dihydroxybenzoyl)-2alpha,3beta-diphenylcyclobutane
5,6,7,3,4,5-hexahydroxyflavone-7-O-beta-D-glucopyranoside
4-O-beta-D-(6-O-vanilloylglucopyranosyl)vanillic acid|4-O-??-D-(6-O-Vanilloyl glucopyranosyl) vanillic acid
6-Me ether, 8-O-(6-O-oxalyl-beta-D-glucopyranoside-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside
5-beta(?)-D-Glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-on|5-beta(?)-D-glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-one
(2R,3R)-dihydro-5,7,4-trihydroxy-6-methoxyflavonol-3-O-beta-D-glucopyranoside|undulatoside
2,3-Dehydrosilychristin
4DX1W79Z8Y
Quercetagitrin is a member of flavonoids and a glycoside. Quercetagitrin is a natural product found in Tagetes erecta, Tagetes lucida, and other organisms with data available. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
Cannabiscitrin
Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a myricetin O-glucoside, a pentahydroxyflavone and a member of flavonols. It is functionally related to a beta-D-glucose. Cannabiscitrin is a natural product found in Ribes rubrum, Cannabis sativa, and other organisms with data available. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.
myricetin-3-galactoside
Acquisition and generation of the data is financially supported in part by CREST/JST.
Tetracycline hydrochloride
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Tetracycline (hydrochloride) is a broad-spectrum antibiotic, exhibiting activity against a wide range of gram-positive and gram-negative bacteria.
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Cys Cys Gln Gln
Cys Asp Asp Glu
Cys Asp Glu Asp
Cys Glu Asp Asp
Cys Glu Glu Thr
Cys Glu Thr Glu
Cys Met Met Pro
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Cys Met Pro Met
Cys Asn Met Asn
Cys Asn Asn Met
Cys Pro Met Met
Cys Gln Cys Gln
Cys Gln Gln Cys
Cys Thr Glu Glu
Asp Cys Asp Glu
Asp Cys Glu Asp
Asp Asp Cys Glu
Asp Asp Glu Cys
Asp Asp Met Thr
Asp Asp Thr Met
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Asp Glu Asp Cys
Asp Glu Met Ser
Asp Glu Ser Met
Asp Met Asp Thr
Asp Met Glu Ser
Asp Met Ser Glu
Asp Met Thr Asp
Asp Ser Glu Met
Asp Ser Met Glu
Asp Thr Asp Met
Asp Thr Met Asp
Glu Cys Asp Asp
Glu Cys Glu Thr
Glu Cys Thr Glu
Glu Asp Cys Asp
Glu Asp Asp Cys
Glu Asp Met Ser
Glu Asp Ser Met
Glu Glu Cys Thr
Glu Glu Thr Cys
Glu Met Asp Ser
Glu Met Ser Asp
Glu Ser Asp Met
Glu Ser Met Asp
Glu Thr Cys Glu
Glu Thr Glu Cys
Met Cys Met Pro
Met Cys Asn Asn
Met Cys Pro Met
Met Asp Asp Thr
Met Asp Glu Ser
Met Asp Ser Glu
Met Asp Thr Asp
Met Glu Asp Ser
Met Glu Ser Asp
Met Met Cys Pro
Met Met Pro Cys
Met Asn Cys Asn
Met Asn Asn Cys
Met Pro Cys Met
Met Pro Met Cys
Met Ser Asp Glu
Met Ser Glu Asp
Met Thr Asp Asp
Asn Cys Met Asn
Asn Cys Asn Met
Asn Met Cys Asn
Asn Met Asn Cys
Asn Asn Cys Met
Asn Asn Met Cys
Pro Cys Met Met
Pro Met Cys Met
Pro Met Met Cys
Gln Cys Cys Gln
Gln Cys Gln Cys
Gln Gln Cys Cys
Ser Asp Glu Met
Ser Asp Met Glu
Ser Glu Asp Met
Ser Glu Met Asp
Ser Met Asp Glu
Ser Met Glu Asp
Thr Cys Glu Glu
Thr Asp Asp Met
Thr Asp Met Asp
Thr Glu Cys Glu
Thr Glu Glu Cys
Thr Met Asp Asp
Quercetin-3-glucuronide
Quercetagitrin
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
Melledonal C
Torachrysone 8-(6-oxalylglucoside)
2,3-dehydrosilybin
D000970 - Antineoplastic Agents D020011 - Protective Agents
3'-O-Methyl-(-)-epicatechin 7-O-glucuronide
4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide
Pinacyanol iodide
D004396 - Coloring Agents > D002232 - Carbocyanines
N,N-BIS(4-CHLOROPHENYL)-N,N-DIPHENYL-1,4-PHENYLENEDIAMINE
doxycycline hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
4-Epitetracycline hydrochloride
Epitetracycline hydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23313-80-6 (retrieved 2024-10-30) (CAS RN: 23313-80-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Diammonium [n,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
tributylmethylammonium bis(trifluoromethylsulfonyl)imide
Methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-alpha-D-glucopyranoside
O-NITROPHENYL BETA-D-GALACTOPYRANOSIDE-6-PHOSPHATE, CYCLOHEXYLAMMONIUM SALT
N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide
2-diazonio-5-sulfonaphthalen-1-olate,phenyl-(2,3,4-trihydroxyphenyl)methanone
2-(1-benzo[e]benzofuranyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide
4-[5-Chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid
N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
Meclizine hydrochloride
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D018926 - Anti-Allergic Agents
548-75-4
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
myricetin 7-O-beta-D-glucopyranoside
A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 7.
Gossypitrin
Gossypitrin is a naturally occurring compound classified under the flavonoid group. Flavonoids are a diverse class of secondary metabolites found in plants, known for their various biological activities and health benefits. Gossypitrin, specifically, is a flavonol, which is a subclass of flavonoids. Chemically, gossypitrin has a basic structure of a 3-deoxyflavonol. Its molecular formula is C15H10O6. The structure of gossypitrin features two aromatic rings (A and B rings) connected by a linear three-carbon chain, which includes a keto group. This arrangement is characteristic of flavonoids. The "3-deoxy" part of its name indicates the absence of an oxygen atom at the C-3 position of the ring structure, which is a unique feature of gossypitrin. Gossypitrin is primarily found in cotton plants, particularly in the roots, stems, leaves, and seeds. It is one of the many bioactive compounds in cotton that contribute to the plant's defense mechanisms against pests and diseases. In terms of biological activity, gossypitrin and other related flavonoids have been studied for their potential antioxidant, anti-inflammatory, and anticancer properties. The antioxidant activity is particularly noteworthy, as it can help in neutralizing harmful free radicals in the body, which are associated with aging and various diseases. Research on gossypitrin and its derivatives is ongoing, exploring its potential uses in medicinal and pharmacological applications. The unique chemical structure of gossypitrin makes it an interesting subject for studying the structure-activity relationships of flavonoids and their impact on human health. Gossypitrin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=489-34-9 (retrieved 2024-08-13) (CAS RN: 489-34-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(2r)-2-(2-{[(1r)-1-Carboxy-4-{[(3s)-3,4-Dicarboxy-3-Hydroxybutanoyl]amino}butyl]amino}-2-Oxoethyl)-2-Hydroxybutanedioic Acid
N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5-phosphate(2-)
4-methyl-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine
1-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
myricetin 3-O-alpha-D-glucopyranoside
A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 3.
myricetin 3-O-beta-L-galactopyranoside
A glycosyloxyflavone that is myricetin with a beta-L-galactosyl residue attached at position 3.
2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide
N,N-dimethyl-4-[[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide
N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide
ethyl 2-[[2-[(5-methoxycarbonylfuran-2-yl)methoxy]-2-oxoethyl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
1-(3,4-Dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
17-(3-Methoxyphenyl)-15-methyl-13-(4-nitrophenyl)-1,8,11,13,14-pentaazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2(7),3,5,8,10,12(16),14-heptaen-9-ol
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine
alpha-Kdo-(2->4)-5,6-dehydro-alpha-Kdo-OAll
A disaccharide derivative consisting of a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit joined via an alpha-(2->4)-linkage to a 5,6-dehydro-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit with an O-allyl group at the anomeric centre.
myricetin 3-O-alpha-L-glucopyranoside
A myricetin O-glucoside that is myricetin with a alpha-L-glucosyl residue attached at position 3.
myricetin 4-O-alpha-D-glucopyranoside
A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 4.
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-3-[1-(5-thiazolyl)ethyl]urea
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(6R,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone
Yersiniabactin(1-)
A monocarboxylic acid anion that is the conjugate base of yersiniabactin, obtained from the deprotonation of the carboxy group. It is the major species at pH 7.3.
Tetrahydroxy-methoxy-flavanone (dihydrorhamnetin) hexoside
(4R,4aR,5R,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
cefepime
A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DE - Fourth-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins 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
Lobeglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
DM-4107
A 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.
Lorglumide sodium salt
Lorglumide sodium salt (CR-1409 sodium salt) is a potent cholecystokinin (CCK) receptor antagonist[1].
5,6-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(3r,10ar)-3-chloro-10a-{[(1r,3s)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]oxy}-6,8-dihydroxy-2,2-dimethyl-3h-naphtho[2,3-b]pyran-5,10-dione
3-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-8-yl]-5,7-dihydroxychromen-4-one
2-(3,4-dihydroxy-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one
[(2s,4r,5r,6s,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate
(2r,7r,7as,7br)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}isochromen-1-one
[(2r,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate
2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
2-[({1-carboxy-4-[(3,4-dicarboxy-1,3-dihydroxybutylidene)amino]butyl}-c-hydroxycarbonimidoyl)methyl]-2-hydroxybutanedioic acid
2-(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-10,14-dien-12-yl acetate
10-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-1,11-dihydroxy-8-methyltetracene-5,12-dione
(2s,4r,5s,6s,7s)-5,12,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-6-yl 3,4,5-trihydroxybenzoate
2,2'-dimethoxy-9,10-dihydro-[1,1'-biphenanthrene]-4,4',7,7'-tetrol
1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxyphenanthrene-2,7-diol
11-O-galloyl bergenin
{"Ingredient_id": "HBIN000483","Ingredient_name": "11-O-galloyl bergenin","Alias": "NA","Ingredient_formula": "C21H20O13","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O","Ingredient_weight": "480.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137706608","DrugBank_id": "NA"}
2,3-dehydro silibinin
{"Ingredient_id": "HBIN003958","Ingredient_name": "2,3-dehydro silibinin","Alias": "NA","Ingredient_formula": "C25H20O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42602","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-3''linked-(2'-hydroxy-4-hydroxychalcone)-(2'''-hydroxy-4 ''-hydroxy dihydrochalcone)
{"Ingredient_id": "HBIN007200","Ingredient_name": "3-3''linked-(2'-hydroxy-4-hydroxychalcone)-(2'''-hydroxy-4 ''-hydroxy dihydrochalcone)","Alias": "NA","Ingredient_formula": "C30H24O6","Ingredient_Smile": "C1=CC=C(C(=C1)C(=O)CCC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C=CC(=O)C4=CC=CC=C4O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12883","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-β-d-(6-o-vanilloyl glucopyranosyl)vanillicacid
{"Ingredient_id": "HBIN010743","Ingredient_name": "4-o-\u03b2-d-(6-o-vanilloyl glucopyranosyl)vanillicacid","Alias": "NA","Ingredient_formula": "C22H24O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22327","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
