Exact Mass: 480.1147394

Exact Mass Matches: 480.1147394

Found 365 metabolites which its exact mass value is equals to given mass value 480.1147394, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Paeoniflorin

((2S,2aR,2a1S,3aR,4R,5aR)-4-Hydroxy-2-methyl-2a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-1,5-dioxa-2,4-methanocyclobuta[cd]pentalen-2a1-yl)methyl benzoate

C23H28O11 (480.16315380000003)


Paeoniflorin is a terpene glycoside. Peoniflorin is under investigation in clinical trial NCT02878863 (Paeoniflorin Combination of Hepatoprotective Drugs Versus Hepatoprotective Drugs Only for Auto-immune Hepatitis). Paeoniflorin is a natural product found in Paeonia, Paeonia tenuifolia, and other organisms with data available. See also: Paeonia lactiflora root (part of); Paeonia veitchii root (part of); Paeonia X suffruticosa root bark (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].

   

Albiflorin

[(1R,3R,4R,6S,9S)-4-HYDROXY-6-METHYL-8-OXO-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-7-OXATRICYCLO[4.3.0.0(3),?]NONAN-9-YL]METHYL BENZOATE

C23H28O11 (480.16315380000003)


Albiflorin is a monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. It has a role as a plant metabolite and a neuroprotective agent. It is a benzoate ester, a gamma-lactone, a beta-D-glucoside, a monoterpene glycoside, a secondary alcohol and a bridged compound. Albiflorin is a natural product found in Paeonia lactiflora, Paeonia delavayi, and other organisms with data available. A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. Albiflorin, a major constituent contained in peony root, is a monoterpene glycoside with neuroprotective effects. Albiflorin also has anti-inflammatory, antioxidant and antinociceptive effects[1][2]. Albiflorin, a major constituent contained in peony root, is a monoterpene glycoside with neuroprotective effects. Albiflorin also has anti-inflammatory, antioxidant and antinociceptive effects[1][2].

   

BRUCEIN B

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

C23H28O11 (480.16315380000003)


Bruceine B is a triterpenoid. Bruceine B is a natural product found in Brucea javanica and Brucea mollis with data available.

   

Gossypin

Gossypetin-8-C-glucoside

C21H20O13 (480.090387)


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

11-O-Demethylpradinone II

C24H16O11 (480.0692586)


   

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

   
   

Blestriarene B

1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-phenanthrene-2,7-diol

C30H24O6 (480.1572804)


   

4-o-Galloylbergenin

4-o-Galloylbergenin

C21H20O13 (480.090387)


   

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

C21H20O13 (480.090387)


   

Cryptocyanine

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

C25H25IN2 (480.10623999999996)


D004396 - Coloring Agents > D002232 - Carbocyanines

   

Staphyloferrin A

Staphyloferrin A

C17H24N2O14 (480.1227484)


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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


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

C25H20O10 (480.105642)


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

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

C21H20O13 (480.090387)


   

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

C22H24O12 (480.1267704)


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

3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoic acid

C24H29ClO8 (480.1550864)


Melledonal C is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom)

   

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

C25H20O10 (480.105642)


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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


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

C22H24O12 (480.1267704)


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

C21H20O13 (480.090387)


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

C22H24O12 (480.1267704)


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

C22H24O12 (480.1267704)


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

C21H16ClF3N4O4 (480.08121220000004)


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

C22H24O12 (480.1267704)


   

(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

C22H23ClF2N4O2S (480.11982320000004)


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].

   

Albiflorin

(4-Hydroxy-6-methyl-8-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl)methyl benzoic acid

C23H28O11 (480.16315380000003)


   

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

C21H20O13 (480.090387)


   

Lobeglitazone

5-{[4-(2-{[6-(4-methoxyphenoxy)pyrimidin-4-yl](methyl)amino}ethoxy)phenyl]methyl}-1,3-thiazolidine-2,4-dione

C24H24N4O5S (480.1467334)


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

   

Paeoniflorin

(6-Hydroxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl)methyl benzoic acid

C23H28O11 (480.16315380000003)


   

[6-Hydroxy-8-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-4-yl]methyl benzoate

(6-hydroxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-4-yl)methyl benzoate

C23H28O11 (480.16315380000003)


   

(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)-3,4,5-Trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

C22H24O12 (480.1267704)


   

(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

(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

C22H24O12 (480.1267704)


   

4-Hydroxy-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[2-({[6-(4-methoxyphenoxy)pyrimidin-4-yl]methyl}amino)ethoxy]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C24H24N4O5S (480.1467334)


   

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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


   

Gossypetin 3-glucoside

Gossypetin 3-glucoside

C21H20O13 (480.090387)


   
   
   

Padmatin 3-glucoside

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

C22H24O12 (480.1267704)


   

[1aR-(1aR*,5R*,7R*,10aR*,10bR*)]-2-(Hydroxymethyl)-, 5-(acetyloxy)-8-[(acetyloxy)methyl]-1a,2,3,4,5,6,7,9,10a,10b-decahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester 2-propenoic acid

[1aR-(1aR*,5R*,7R*,10aR*,10bR*)]-2-(Hydroxymethyl)-, 5-(acetyloxy)-8-[(acetyloxy)methyl]-1a,2,3,4,5,6,7,9,10a,10b-decahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester 2-propenoic acid

C23H28O11 (480.16315380000003)


   
   
   

Padmatin 5-glucoside

Padmatin 5-glucoside

C22H24O12 (480.1267704)


   

Gossypetin 7-glucoside

Gossypetin 7-glucoside

C21H20O13 (480.090387)


   

Zeravschanoside

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

C21H20O13 (480.090387)


   

Blestrin D

Blestrin D

C30H24O6 (480.1572804)


Blestrin D is a natural product found in Bletilla striata with data available.

   
   

6-Hydroxytricetin 5-glucoside

6-Hydroxytricetin 5-glucoside

C21H20O13 (480.090387)


   

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

C21H20O13 (480.090387)


   

Ampelopsin 3-methyl ether 4-rhamnoside

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

C22H24O12 (480.1267704)


   

Telephioidin

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

C21H20O13 (480.090387)


   

Myricetin 7-glucoside

Myricetin 7-glucoside

C21H20O13 (480.090387)


   

Gossypetin 3-galactoside

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

C21H20O13 (480.090387)


   

Myricetin 3-galactoside

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

C21H20O13 (480.090387)


   

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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


   
   

methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate

methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate

C23H28O11 (480.16315380000003)


   

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate

C23H28O11 (480.16315380000003)


   

Tetracyclinehydrochloride

Tetracyclinehydrochloride

C22H25ClN2O8 (480.129936)


   

(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-3-methoxy-3,7,3-trihydroxyflavan

(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-3-methoxy-3,7,3-trihydroxyflavan

C23H28O11 (480.16315380000003)


   

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

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

C22H24O12 (480.1267704)


   
   
   
   

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

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

C26H24O9 (480.14202539999997)


   
   
   

Scutellaprostin C

Scutellaprostin C

C25H20O10 (480.105642)


   

1-(3,5-dimethyl-6-phenylhex-3-enyl)-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

1-(3,5-dimethyl-6-phenylhex-3-enyl)-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

C23H28O11 (480.16315380000003)


   

(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-4-methoxy-3,7,4-trihydroxyflavan

(2S,3S)-5-O-beta-D-glucopyranosyloxy-6-methyl-4-methoxy-3,7,4-trihydroxyflavan

C23H28O11 (480.16315380000003)


   
   

(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 3-O-beta-D-glucopyranoside|glochiflavanoside D

(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 3-O-beta-D-glucopyranoside|glochiflavanoside D

C23H28O11 (480.16315380000003)


   

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

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

C26H24O9 (480.14202539999997)


   

(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 7-O-beta-D-glucopyranoside|glochiflavanoside A

(2R,3S)-3,7,4-trihydroxy-5,3-dimethoxyflavan 7-O-beta-D-glucopyranoside|glochiflavanoside A

C23H28O11 (480.16315380000003)


   

myricetin 3-O-beta-D-sorboside

myricetin 3-O-beta-D-sorboside

C21H20O13 (480.090387)


   
   
   

3-3Linked-(2-hydroxy-4-hydroxychalcone)-(2-hydroxy-4-hydroxy dihydrochalcone)

3-3Linked-(2-hydroxy-4-hydroxychalcone)-(2-hydroxy-4-hydroxy dihydrochalcone)

C30H24O6 (480.1572804)


   
   
   

7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside

7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside

C21H20O13 (480.090387)


   

2-hydroxy-3- methyl-glucoside-4-oxo-7-carbonyl-tricyclo [3,2,2,01,2]-nonanyl-benzoicmethoxycarbonyl|Paeoniflorin R1|PL-280

2-hydroxy-3- methyl-glucoside-4-oxo-7-carbonyl-tricyclo [3,2,2,01,2]-nonanyl-benzoicmethoxycarbonyl|Paeoniflorin R1|PL-280

C23H28O11 (480.16315380000003)


   

4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside

4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside

C21H20O13 (480.090387)


   

(+)-hopeahainol A|hopeahainol A

(+)-hopeahainol A|hopeahainol A

C28H16O8 (480.0845136)


   
   

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

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

C22H24O12 (480.1267704)


   
   

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

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

C22H24O12 (480.1267704)


   

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-1,1-biphenanthrene|Monbarbatain B

C30H24O6 (480.1572804)


   

4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,6-biphenanthrene|Monbarbatain C

4,4,7,7-tetrahydroxy-2,2-dimethoxy-9,10-dihydro-1,6-biphenanthrene|Monbarbatain C

C30H24O6 (480.1572804)


   

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

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

C21H20O13 (480.090387)


   

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

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

C24H16O11 (480.0692586)


   
   

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

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

C22H24O12 (480.1267704)


   

1-(4-hydroxy-2,5-dimethylphenyl)-6-syringoyl-beta-D-glucopyranose|dunnianoside A

1-(4-hydroxy-2,5-dimethylphenyl)-6-syringoyl-beta-D-glucopyranose|dunnianoside A

C23H28O11 (480.16315380000003)


   

Oxyfadichalcone A

Oxyfadichalcone A

C30H24O6 (480.1572804)


   
   

(rel)-1beta,4alpha-di(2,4-dihydroxybenzoyl)-2alpha,3beta-diphenylcyclobutane

(rel)-1beta,4alpha-di(2,4-dihydroxybenzoyl)-2alpha,3beta-diphenylcyclobutane

C30H24O6 (480.1572804)


   
   

hesperitin-7-O-beta-D-glucopyranoside

hesperitin-7-O-beta-D-glucopyranoside

C22H24O12 (480.1267704)


   

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

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

C21H20O13 (480.090387)


   
   

6-methoxy-5-[3-(beta-D-glucopyranosyloxy)-2-hydroxy-3-methylbutyl]angelicin|6-methoxy-5-[3-(beta-glucopyranosyloxy)-2-hydroxy-3-methyl-butyl]-angelicin

6-methoxy-5-[3-(beta-D-glucopyranosyloxy)-2-hydroxy-3-methylbutyl]angelicin|6-methoxy-5-[3-(beta-glucopyranosyloxy)-2-hydroxy-3-methyl-butyl]-angelicin

C23H28O11 (480.16315380000003)


   

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

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

C22H24O12 (480.1267704)


   
   
   
   

Scutellaprostin F

Scutellaprostin F

C25H20O10 (480.105642)


   

8-Acetyl-15-beta-D-glucopyranosyllactucin

8-Acetyl-15-beta-D-glucopyranosyllactucin

C23H28O11 (480.16315380000003)


   

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

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

C22H24O12 (480.1267704)


   

gossypetin 8-O-beta-D-glucoside

gossypetin 8-O-beta-D-glucoside

C21H20O13 (480.090387)


   
   
   

6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside

6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside

C21H20O13 (480.090387)


   

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

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

C21H20O13 (480.090387)


   

(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-(6-O-galloyl)-beta-D-glucopyranoside

(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-(6-O-galloyl)-beta-D-glucopyranoside

C23H28O11 (480.16315380000003)


   
   

Xantholaccaic acid B

Xantholaccaic acid B

C24H16O11 (480.0692586)


   
   

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

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

C22H24O12 (480.1267704)


   

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

C25H20O10 (480.105642)


   

6-Hydroxydelphinidin 3-glucoside

6-Hydroxydelphinidin 3-glucoside

C21H20O13 (480.090387)


   

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

C21H20O13 (480.090387)


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

C25H20O10 (480.105642)


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

C21H20O13 (480.090387)


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

C21H20O13 (480.090387)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Peoniflorin

Paeoniflorin

C23H28O11 (480.16315380000003)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Annotation level-1 Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].

   

Tetracycline hydrochloride

Tetracycline hydrochloride

C22H25ClN2O8 (480.129936)


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

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

C21H20O13 (480.090387)


   

myricetin-3-O-hexoside

myricetin-3-O-hexoside

C21H20O13 (480.090387)


   

C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

NCGC00180527-03_C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

C23H28O11 (480.16315380000003)


   

C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

NCGC00169346-02_C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

C23H28O11 (480.16315380000003)


   

C23H28O11_1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)

NCGC00169503-02_C23H28O11_1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-

C23H28O11 (480.16315380000003)


   

[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate

[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate

C23H28O11 (480.16315380000003)


   

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

C21H20O13 (480.090387)


   

Gossypetin-8-C-glucoside

Gossypetin-8-C-glucoside

C21H20O13 (480.090387)


Annotation level-1

   

Myricetin-3-O-galactoside

Myricetin-3-O-galactoside

C21H20O13 (480.090387)


Annotation level-1

   

Paeoniflorin

Paeoniflorin

C23H28O11 (480.16315380000003)


A polyphenol metabolite detected in biological fluids [PhenolExplorer] Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3]. Paeoniflorin is a heat shock protein-inducing compound and commonly exists in the plants of Paeoniaceae family, with various biological activities, including anticancer activity, anti-inflammatory activity, enhancing cognition and attenuating learning impairment, anti-oxidative stress, antiplatelet aggregation, expansion of blood vessels, and reducing blood viscosity[1][2][3].

   

Flavonol base + 5O, O-Hex

Flavonol base + 5O, O-Hex

C21H20O13 (480.090387)


Annotation level-2

   

Gossypetin-8-glucoside

Gossypetin-8-glucoside

C21H20O13 (480.090387)


Annotation level-1

   

Gossypetin 8-glucoside

Gossypetin 8-glucoside

C21H20O13 (480.090387)


Annotation level-1

   

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_4.0\\%

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_4.0\\%

C23H28O11 (480.16315380000003)


   
   

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_major

methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate_major

C23H28O11 (480.16315380000003)


   
   

Cys Cys Gln Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Asp Asp Glu

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

C16H24N4O11S (480.11622339999997)


   

Cys Asp Glu Asp

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

C16H24N4O11S (480.11622339999997)


   

Cys Glu Asp Asp

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

C16H24N4O11S (480.11622339999997)


   

Cys Glu Glu Thr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-3-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Cys Glu Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-hydroxybutanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Cys Met Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C18H32N4O5S3 (480.15347420000006)


   

Cys Met Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Met Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Cys Asn Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Asn Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Pro Met Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Cys Gln Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Gln Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Cys Thr Glu Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-carboxybutanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Asp Cys Asp Glu

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

C16H24N4O11S (480.11622339999997)


   

Asp Cys Glu Asp

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

C16H24N4O11S (480.11622339999997)


   

Asp Asp Cys Glu

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

C16H24N4O11S (480.11622339999997)


   

Asp Asp Glu Cys

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

C16H24N4O11S (480.11622339999997)


   

Asp Asp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Asp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Glu Cys Asp

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

C16H24N4O11S (480.11622339999997)


   

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

C16H24N4O11S (480.11622339999997)


   

Asp Glu Met Ser

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Glu Ser Met

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Met Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Met Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Met Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Asp Met Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Asp Ser Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Ser Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Asp Thr Asp Met

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C17H28N4O10S (480.15260680000006)


   

Asp Thr Met Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Glu Cys Asp Asp

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

C16H24N4O11S (480.11622339999997)


   

Glu Cys Glu Thr

(4S)-4-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Glu Cys Thr Glu

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Glu Asp Cys Asp

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

C16H24N4O11S (480.11622339999997)


   

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

C16H24N4O11S (480.11622339999997)


   

Glu Asp Met Ser

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Glu Asp Ser Met

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Glu Glu Cys Thr

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

C17H28N4O10S (480.15260680000006)


   

Glu Glu Thr Cys

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

C17H28N4O10S (480.15260680000006)


   

Glu Met Asp Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Glu Met Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Glu Ser Asp Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Glu Ser Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Glu Thr Cys Glu

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Glu Thr Glu Cys

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

C17H28N4O10S (480.15260680000006)


   

Met Cys Met Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Cys Asn Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Met Cys Pro Met

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Asp Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H28N4O10S (480.15260680000006)


   

Met Asp Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Met Asp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxypropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Met Asp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxybutanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Met Glu Asp Ser

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Met Glu Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-hydroxypropanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Met Met Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Met Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Asn Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Met Asn Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Met Pro Cys Met

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Pro Met Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Met Ser Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-carboxypropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Met Ser Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-carboxybutanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Met Thr Asp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-carboxypropanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Asn Cys Met Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Asn Cys Asn Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N6O7S2 (480.1460818)


   

Asn Met Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Asn Met Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Asn Asn Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N6O7S2 (480.1460818)


   

Asn Asn Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Pro Cys Met Met

(2S)-4-(methylsulfanyl)-2-[(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanamido]butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Pro Met Cys Met

(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanamido]butanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Pro Met Met Cys

(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]-3-sulfanylpropanoic acid

C18H32N4O5S3 (480.15347420000006)


   

Gln Cys Cys Gln

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C16H28N6O7S2 (480.1460818)


   

Gln Cys Gln Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Gln Gln Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C16H28N6O7S2 (480.1460818)


   

Ser Asp Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Ser Asp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Ser Glu Asp Met

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C17H28N4O10S (480.15260680000006)


   

Ser Glu Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Ser Met Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Ser Met Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Thr Cys Glu Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Thr Asp Asp Met

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C17H28N4O10S (480.15260680000006)


   

Thr Asp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Thr Glu Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C17H28N4O10S (480.15260680000006)


   

Thr Glu Glu Cys

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

C17H28N4O10S (480.15260680000006)


   

Thr Met Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]butanedioic acid

C17H28N4O10S (480.15260680000006)


   

Myricetin 3-glucoside

Myricetin 3-glucoside

C21H20O13 (480.090387)


   

Tyr-TyrMe-OH

(S)-2-(3-(4-hydroxyphenethoxy)-4-nitrobenzamido)-4-(4-methoxyphenyl)butanoic acid

C25H24N2O8 (480.15325839999997)


   

TyrMe-Tyr-OH

(S)-3-(4-hydroxyphenyl)-2-(3-(4-methoxyphenethoxy)-4-nitrobenzamido)propanoic acid

C25H24N2O8 (480.15325839999997)


   

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

C21H20O13 (480.090387)


   

Quercetagitrin

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

C21H20O13 (480.090387)


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

3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

C24H29ClO8 (480.1550864)


   

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

C22H24O12 (480.1267704)


   

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

C25H20O10 (480.105642)


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

C22H24O12 (480.1267704)


   

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

C22H24O12 (480.1267704)


   

Methyl (3R,4R,5R)-3,4-dihydroxy-5-({2-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

Methyl (3R,4R,5R)-3,4-dihydroxy-5-({2-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

C23H28O11 (480.16315380000003)


   

Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

C23H28O11 (480.16315380000003)


   

2,3-dihydrosilychristin

2,3-dihydrosilychristin

C25H20O10 (480.105642)


   
   

Pinacyanol iodide

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

C25H25IN2 (480.10623999999996)


D004396 - Coloring Agents > D002232 - Carbocyanines

   

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

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

C30H22Cl2N2 (480.1159952)


   

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

C20H28N6O4S2 (480.1613368)


   

doxycycline hydrochloride

doxycycline hydrochloride

C22H25ClN2O8 (480.129936)


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

4-Epitetracycline hydrochloride

C22H25ClN2O8 (480.129936)


   
   
   

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

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

C14H26FeN5O10 (480.1028986)


   

D-Phenylglycyl Cephalexin

D-Phenylglycyl Cephalexin

C24H24N4O5S (480.1467334)


   

tributylmethylammonium bis(trifluoromethylsulfonyl)imide

tributylmethylammonium bis(trifluoromethylsulfonyl)imide

C15H30F6N2O4S2 (480.1551092)


   

Isopropamide iodide

Isopropamide iodide

C23H33IN2O (480.1637518)


C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

Doconazol

Doconazole

C26H22Cl2N2O3 (480.1007402)


C254 - Anti-Infective Agent > C514 - Antifungal Agent

   
   

N-FMOC-4-METHANESULFONYLAMINO-L-PHENYLALANINE

N-FMOC-4-METHANESULFONYLAMINO-L-PHENYLALANINE

C25H24N2O6S (480.1355004)


   

Methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-alpha-D-glucopyranoside

Methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-alpha-D-glucopyranoside

C24H29ClO8 (480.1550864)


   

Polyethylene-graft-maleic anhydride

Polyethylene-graft-maleic anhydride

C21H25N2O9P (480.129761)


   

O-NITROPHENYL BETA-D-GALACTOPYRANOSIDE-6-PHOSPHATE, CYCLOHEXYLAMMONIUM SALT

O-NITROPHENYL BETA-D-GALACTOPYRANOSIDE-6-PHOSPHATE, CYCLOHEXYLAMMONIUM SALT

C18H29N2O11P (480.15088940000004)


   

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

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

C19H21ClN6O7 (480.1160186)


   

Pafuramidine maleate

Pafuramidine maleate

C24H24N4O7 (480.1644914)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

   
   

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

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

C25H24N2O6S (480.1355004)


   

4-[5-Chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid

4-[5-Chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid

C26H25ClN2O5 (480.145191)


   

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

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

C23H17ClN4O4S (480.06589920000005)


   

Meclizine hydrochloride

Meclizine hydrochloride

C25H31Cl3N2O (480.1501846)


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

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

C21H20O13 (480.090387)


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 3-beta-D-glucopyranoside

Myricetin 3-beta-D-glucopyranoside

C21H20O13 (480.090387)


   

myricetin 7-O-beta-D-glucopyranoside

myricetin 7-O-beta-D-glucopyranoside

C21H20O13 (480.090387)


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

   

Gossypitrin

Gossypetin 7-β-D-glucopyranoside

C21H20O13 (480.090387)


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

(2r)-2-(2-{[(1r)-1-Carboxy-4-{[(3s)-3,4-Dicarboxy-3-Hydroxybutanoyl]amino}butyl]amino}-2-Oxoethyl)-2-Hydroxybutanedioic Acid

C17H24N2O14 (480.1227484)


   

N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5-phosphate(2-)

N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5-phosphate(2-)

C18H21N6O8P-2 (480.1158436)


   

Rosuvastatin(1-)

Rosuvastatin(1-)

C22H27FN3O6S- (480.16045140000006)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites

   

Carbocyanine

Carbocyanine

C25H25IN2 (480.10623999999996)


D004396 - Coloring Agents > D002232 - Carbocyanines

   

Kryptocyanine

Kryptocyanine

C25H25IN2 (480.10623999999996)


D004396 - Coloring Agents > D002232 - Carbocyanines

   
   

4-methyl-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide

4-methyl-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide

C20H15F3N4O5S (480.07152160000004)


   
   

15-O-acetylbruceolide

15-O-acetylbruceolide

C23H28O11 (480.16315380000003)


A quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.

   

N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine

N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine

C17H24N2O14 (480.1227484)


   

1-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone

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

myricetin 3-O-alpha-D-glucopyranoside

C21H20O13 (480.090387)


A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 3.

   

myricetin 3-O-beta-L-galactopyranoside

myricetin 3-O-beta-L-galactopyranoside

C21H20O13 (480.090387)


A glycosyloxyflavone that is myricetin with a beta-L-galactosyl residue attached at position 3.

   

2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide

2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide

C24H24N4O7 (480.1644914)


   

2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide

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

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

N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide

C22H25ClN2O6S (480.11217800000003)


   

ethyl 2-[[2-[(5-methoxycarbonylfuran-2-yl)methoxy]-2-oxoethyl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

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)


   

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

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

C24H24N4O5S (480.1467334)


   

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

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

C24H24N4O3S2 (480.1289754)


   

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

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

C26H20N6O4 (480.154596)


   
   

[(1S,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

[(1S,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

C23H28O11 (480.16315380000003)


   

alpha-Kdo-(2->4)-5,6-dehydro-alpha-Kdo-OAll

alpha-Kdo-(2->4)-5,6-dehydro-alpha-Kdo-OAll

C19H28O14 (480.1478988)


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

myricetin 3-O-alpha-L-glucopyranoside

C21H20O13 (480.090387)


A myricetin O-glucoside that is myricetin with a alpha-L-glucosyl residue attached at position 3.

   

myricetin 4-O-alpha-D-glucopyranoside

myricetin 4-O-alpha-D-glucopyranoside

C21H20O13 (480.090387)


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

N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide

C24H24N4O5S (480.1467334)


   

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,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

C23H23F3N2O6 (480.1508134)


   

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

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

C22H25ClN2O6S (480.11217800000003)


   

1-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-3-[1-(5-thiazolyl)ethyl]urea

1-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-3-[1-(5-thiazolyl)ethyl]urea

C24H24N4O5S (480.1467334)


   

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-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

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,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

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-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,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

C22H25FN2O7S (480.1366432)


   

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,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

C22H25ClN2O6S (480.11217800000003)


   

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-[(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

C22H25ClN2O6S (480.11217800000003)


   

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-[(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

C22H25ClN2O6S (480.11217800000003)


   

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-[(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

C23H23F3N2O6 (480.1508134)


   

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-[(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

C23H23F3N2O6 (480.1508134)


   

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

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

C23H23F3N2O6 (480.1508134)


   

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-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

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,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

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-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide

C22H25FN2O7S (480.1366432)


   

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,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

C22H25FN2O7S (480.1366432)


   

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,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

C22H25ClN2O6S (480.11217800000003)


   

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-[(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

C22H25ClN2O6S (480.11217800000003)


   

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,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

C22H25ClN2O6S (480.11217800000003)


   

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-[(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

C22H25ClN2O6S (480.11217800000003)


   

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,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

C23H23F3N2O6 (480.1508134)


   

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

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

C23H23F3N2O6 (480.1508134)


   

(6R,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C26H25FN2O4S (480.1518982)


   

alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone

alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone

C19H28O14 (480.1478988)


   

Yersiniabactin(1-)

Yersiniabactin(1-)

C21H26N3O4S3- (480.1085376000001)


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

Tetrahydroxy-methoxy-flavanone (dihydrorhamnetin) hexoside

C22H24O12 (480.1267704)


   

[(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

[(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

C23H28O11 (480.16315380000003)


   

(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

(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

C22H25ClN2O8 (480.129936)


   

cefepime

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

   

Lobeglitazone

Lobeglitazone

C24H24N4O5S (480.1467334)


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

   

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

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

C22H24O12 (480.1267704)


   

4-Methylepicatechin-7-glucuronide

4-Methylepicatechin-7-glucuronide

C22H24O12 (480.1267704)


   

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

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

C22H24O12 (480.1267704)


   

Quercetin-3-O-glucuronide

Quercetin-3-O-glucuronide

C21H20O13 (480.090387)


   

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

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

C22H24O12 (480.1267704)


   

DM-4107

DM-4107

C26H25ClN2O5 (480.145191)


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.

   

paeonin B

paeonin B

C23H28O11 (480.16315380000003)


A natural product found in Paeonia emodi.

   

O-Demethylpradinone II

O-Demethylpradinone II

C24H16O11 (480.0692586)


   
   

Lorglumide sodium salt

Lorglumide sodium salt

C22H31Cl2N2NaO4 (480.1558466)


Lorglumide sodium salt (CR-1409 sodium salt) is a potent cholecystokinin (CCK) receptor antagonist[1].