Exact Mass: 480.09203540000004

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].

11-O-Demethylpradinone II

Cefepime

(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C19H24N6O5S2 (480.1249534)

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

4-o-Galloylbergenin

11-o-Galloylbergenin

(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate

Cryptocyanine

Quinolinium,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]-, iodide (1:1)

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

5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

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

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

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

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one

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)

{6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl hydrogen oxalic acid

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.

2,3-Dehydrosilychristin

3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-chromen-4-one

2,3-Dehydrosilychristin is a constituent of the fruit of Silybum marianum anatolicum. Constituent of the fruit of Silybum marianum anatolicum

Myricetin 3'-glucoside

2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-4H-chromen-4-one

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.

Tagetiin

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Tagetiin is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)

4'-O-Methylepicatechin 7-O-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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

3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

Quercetin 3-glucuronide is a metabolite of the dietary flavonols found in plasma and urine.

3'-O-Methylepicatechin 7-O-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

C21H16ClF3N4O4 (480.08121220000004)

4-O-Methyl-(-)-epicatechin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Sorafenib N-oxide

4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic acid methyamide-4-methylbenzenesulfonate

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

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H23ClF2N4O2S (480.11982320000004)

(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

{2-[4-({2-chloro-4,4-difluoro-4,5-dihydrospiro[piperidine-4,7-thieno[2,3-c]pyran]-1-yl}methyl)-3-methyl-1H-pyrazol-1-yl]pyridin-3-yl}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

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

(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

Myricetin 3-glucoside

5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

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

2- (3,4-Dihydroxyphenyl) -6- (beta-D-glucopyranosyloxy) -3,5,7-trihydroxy-4H-1-benzopyran-4-one

Gossypetin 3-glucoside

Gliocladin A

C24H24N4O3S2 (480.1289754)

Padmatin 3-glucoside

3,5,3,4-Tetrahydroxy-7-methoxyflavanone 3-glucoside

Zeravschanoside

2- (3,4-Dihydroxyphenyl) -7- (beta-D-glucopyranosyloxy) -5,6,8-trihydroxy-4H-1-benzopyran-4-one

6-Hydroxytricetin 5-glucoside

3,5,7,2,3,4-Hexahydroxyflavone 3-glucoside

3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one

Ampelopsin 3-methyl ether 4-rhamnoside

(2R,3R) -3,5,7,4,5-Pentahydroxy-3-methoxyflavanone 4-rhamnoside

Telephioidin

6-C-beta-D-glucopyranosyl-5,7,2,3,5,6-hexahydroxyflavone

Myricetin 7-glucoside

Gossypetin 3-galactoside

3,5,7,8,3,4-Hexahydroxyflavone 3-galactoside

Myricetin 3-galactoside

3- [ (beta-D-Galactopyranosyl) oxy ] -3,4,5,5,7-pentahydroxyflavone

Isomyricitrin

5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

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

2- (3,4-Dihydroxyphenyl) -7- (beta-D-glucopyranosyloxy) -3,5,6-trihydroxy-4H-1-benzopyran-4-one

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].

Tagetiin

3- [ (beta-D-Glucopyranosyl) oxy ] -3,4,5,6,7-pentahydroxyflavone

C23H20ClF3N2O4 (480.10636260000007)

3-[4-(4-Chlorophenoxy)-3,5-dimethyl-1H-pyrazol-1-yl]-N-[(3,5-dichlorobenzoyl)oxy]propanimidamide

C21H19Cl3N4O3 (480.0522674)

ZINC8618231

Tetracyclinehydrochloride

(2S)-5,7,2,5-tetrahydroxy-6-methoxyflavanone 2-O-beta-D-glucopyranoside

MS000031831

(2S,3R)-3,10-dimethoxy-9-O-(5,6-dimethoxy-2-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one

C21H20O13

Scutellaprostin C

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

myricetin 3-O-beta-D-sorboside

JBIR-34

C21H25ClN4O7 (480.141169)

tetracenoquinocin

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

(+)-hopeahainol A|hopeahainol A

C28H16O8 (480.0845136)

NSC695597

8-C-glucopyranosyl-7-methoxydihydroflavonol|noidesol A

C20H34Br2O3 (480.08745339999996)

Irieol B

(+)-T988C|T988 C

C23H20N4O4S2 (480.092592)

2,4,8,9,10-pentahydroxy-3,7-dimethoxyanthracene-6-O-alpha-L-rhamnopyranoside

6,8-dihydroxykaempferol-3-O-beta-D-glucopyranoside

2R,3R-chromone-3-hydroxyflavanone|preussianone

CHEMBL2088292

C28H16O8 (480.0845136)

6-C-glucopyranosyl-4-methoxydihydroflavonol|noidesol B

CHEMBL471186

hesperitin-7-O-beta-D-glucopyranoside

5,6,7,3,4,5-hexahydroxyflavone-7-O-beta-D-glucopyranoside

Dehydrosilybin

4-O-beta-D-(6-O-vanilloylglucopyranosyl)vanillic acid|4-O-??-D-(6-O-Vanilloyl glucopyranosyl) vanillic acid

Isoaffinetin

Scutellaprostin F

6-Me ether, 8-O-(6-O-oxalyl-beta-D-glucopyranoside-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene

gossypetin 8-O-beta-D-glucoside

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

C20H34Br2O3 (480.08745339999996)

Irieol E

Xantholaccaic acid B

(2R,3R)-dihydro-5,7,4-trihydroxy-6-methoxyflavonol-3-O-beta-D-glucopyranoside|undulatoside

2,3-Dehydrosilychristin

3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-chromen-4-one

6-Hydroxydelphinidin 3-glucoside

4DX1W79Z8Y

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

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].

Rhodiolin

(2R,3R)-6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one

Rhodiolin is a natural product found in Rhodiola fastigiata and Rhodiola rosea with data available.

Cannabiscitrin

2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one

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

Myricetin 3-O-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.

Doxycycline HCl

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

NCGC00180655-02!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

myricetin-3-O-hexoside

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

Gossypetin-8-C-glucoside

Annotation level-1

Myricetin-3-O-galactoside

Annotation level-1

Flavonol base + 5O, O-Hex

Annotation level-2

Gossypetin-8-glucoside

Annotation level-1

Gossypetin 8-glucoside

Annotation level-1

Gossypin_major

Cys Asp Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]pentanedioic acid

Cys Asp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]butanedioic acid

Cys Glu Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-carboxypropanamido]butanedioic acid

Asp Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

Asp Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

Asp Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

Asp Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

Asp Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

Asp Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Glu Cys Asp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]butanedioic acid

Glu Asp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]butanedioic acid

Glu Asp Asp Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Myricetin 3-glucoside

Quercetin-3-glucuronide

3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

Quercetagitrin

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Torachrysone 8-(6-oxalylglucoside)

{6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl hydrogen oxalate

2,3-dehydrosilybin

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one

D000970 - Antineoplastic Agents D020011 - Protective Agents

3'-O-Methyl-(-)-epicatechin 7-O-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

4'-O-Methyl-(-)-epicatechin 3'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

2,3-dihydrosilychristin

Parmosidone K

Pinacyanol iodide

1,1-Diethyl-2,2-carbocyanine iodide

D004396 - Coloring Agents > D002232 - Carbocyanines

N,N-BIS(4-CHLOROPHENYL)-N,N-DIPHENYL-1,4-PHENYLENEDIAMINE

C30H22Cl2N2 (480.1159952)

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

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, 4-epimer

C24H15B3O3S3 (480.04624500000006)

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).

tris((3-benzo{b}thienyl)boroxine)Tris((3-benzo{b}thienyl)boroxin)

Anticefepime

C19H24N6O5S2 (480.1249534)

Diammonium [n,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)

C14H26FeN5O10 (480.1028986)

Doconazol

Doconazole

C26H22Cl2N2O3 (480.1007402)

C254 - Anti-Infective Agent > C514 - Antifungal Agent

Lorcaserin hydrochloride hemihydrate

C22H32Cl4N2O (480.12686219999995)

N-FMOC-4-METHANESULFONYLAMINO-L-PHENYLALANINE

C25H24N2O6S (480.1355004)

tatm

C15H19F3O12S (480.054929)

Polyethylene-graft-maleic anhydride

C21H25N2O9P (480.129761)

N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide

C19H21ClN6O7 (480.1160186)

2-diazonio-5-sulfonaphthalen-1-olate,phenyl-(2,3,4-trihydroxyphenyl)methanone

C23H16N2O8S (480.0627336)

Eletriptan hydrobromide monohydrate

C22H29BrN2O3S (480.10821440000007)

2-(1-benzo[e]benzofuranyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide

C25H24N2O6S (480.1355004)

N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide

C23H17ClN4O4S (480.06589920000005)

548-75-4

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone

Myricetin 3-beta-D-glucopyranoside

myricetin 7-O-beta-D-glucopyranoside

A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 7.

Gossypitrin

Gossypetin 7-β-D-glucopyranoside

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-)

C18H21N6O8P-2 (480.1158436)

Glucomalcommin

C17H22NO11S2- (480.0634242)

Carbocyanine

D004396 - Coloring Agents > D002232 - Carbocyanines

Kryptocyanine

D004396 - Coloring Agents > D002232 - Carbocyanines

Vibra-tabs

C20H15F3N4O5S (480.07152160000004)

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

C19H21ClN6O3S2 (480.0805026)

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

C21H22F2N4O3S2 (480.1101326)

N,N-dimethyl-4-[[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide

C20H24N4O6S2 (480.1137204)

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

C20H20N2O8S2 (480.066104)

1-(3,4-Dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone

C24H24N4O3S2 (480.1289754)

6-bromomelleolide F

C23H29BrO6 (480.1147394)

N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine

C25H18Cl2N2O4 (480.0643568)

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.

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

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

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

C21H26N3O4S3- (480.1085376000001)

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.

2-methoxybenzoyl-AMP

C18H19N5O9P- (480.09203540000004)

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

C19H24N6O5S2 (480.1249534)

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

4-O-Methyl-(-)-epicatechin 3-O-glucuronide

4-Methylepicatechin-7-glucuronide

3-O-Methyl-(-)-epicatechin 7-O-glucuronide

Quercetin-3-O-glucuronide

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

O-Demethylpradinone II

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

C24H26Cl2O6 (480.1106356)

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

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

C19H22Cl2O10 (480.0589972)

[(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

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

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"}

4-o-β-d-(6-o-vanilloyl glucopyranosyl)vanillicacid