Exact Mass: 478.0899928

Exact Mass Matches: 478.0899928

Found 321 metabolites which its exact mass value is equals to given mass value 478.0899928, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Aureomykoin

(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

C22H23ClN2O8 (478.1142868)


A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics 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

   

4-Methoxyglucobrassicin

4-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


An indolylmethylglucosinolic acid that is glucobrassicin bearing a methoxy substituent at position 4 on the indole ring.

   

Neoglucobrassicin

{[(E)-[2-(1-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

C17H22N2O10S2 (478.0715832)


Neoglucobrassicin, also known as MIMG, belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, neoglucobrassicin has been detected, but not quantified in, several different foods, such as swedes, garden cress, Brussel sprouts, Chinese cabbages, and kohlrabis. This could make neoglucobrassicin a potential biomarker for the consumption of these foods. Neoglucobrassicin is widespread in Brassica species and found in the Cruciferae, Tovariaceae, Capparidaceae, and Resedaceae. Widespread in Brassica subspecies and found in the Cruciferae, Tovariaceae, Capparidaceae and Resedaceae

   
   

Metacycline hydrochloride

Methacycline hydrochloride (Physiomycine)

C22H23ClN2O8 (478.1142868)


C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic

   

2-Palmitoyl/stearoyl-2-O-sulfo-alpha,alpha-trehalose

2-Palmitoyl/stearoyl-2-O-sulfo-alpha,alpha-trehalose

C15H26O15S (478.09923660000004)


   

Isorhamnetin 3-galactoside

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

C22H22O12 (478.1111212)


Isorhamnetin 3-galactoside 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. Isorhamnetin 3-galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-galactoside can be synthesized from beta-D-galactose. Isorhamnetin 3-galactoside can also be synthesized into isorhamnetin. Isorhamnetin 3-galactoside can be found in a number of food items such as caraway, common bean, almond, and green bean, which makes isorhamnetin 3-galactoside a potential biomarker for the consumption of these food products. Isorhamnetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone and a trihydroxyflavone. It is functionally related to an isorhamnetin and a beta-D-galactose. Cacticin is a natural product found in Lysimachia patungensis, Artemisia igniaria, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue.

   

Nepitrin

2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-6-METHOXY-7-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)-4H-CHROMEN-4-ONE

C22H22O12 (478.1111212)


Nepitrin is a member of flavonoids and a glycoside. Nepitrin is a natural product found in Centaurea bracteata, Arnica longifolia, and other organisms with data available. Nepitrin is found in herbs and spices. Nepitrin is a constituent of rosemary (Rosmarinus officinalis) Constituent of rosemary (Rosmarinus officinalis). Nepitrin is found in herbs and spices and rosemary. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].

   

Isorhamnetin 3-galactoside

Isorhamnetin 3-O-galactoside

C22H22O12 (478.1111212)


   

Quercetin 3-O-glucuronide

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


Quercetin 3-O-glucuronide is a cocoa and tea metabolite in plasma and urine. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Alliumoside A

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

C22H22O12 (478.1111212)


Present in onions. Isorhamnetin 4-glucoside is found in allium (onion), onion-family vegetables, and garden onion (variety). Isorhamnetin 4-glucoside is found in allium (onion). Isorhamnetin 4-glucoside is present in onion

   

2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3,4,5-trihydroxybenzoic acid

C22H22O12 (478.1111212)


2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables. 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is isolated from Rheum species. Isolated from Rheum subspecies 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables.

   

Pedaliin

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

C22H22O12 (478.1111212)


Pedaliin is found in fats and oils. Pedaliin is from leaves of Sesamum indicum (sesame

   

Isorhamnetin 7-glucoside

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

C22H22O12 (478.1111212)


Isolated from various plants inc. Brassica napus (oilseed rape). Isorhamnetin 7-glucoside is found in sea-buckthornberry, german camomile, and brassicas. Isorhamnetin 7-glucoside is found in brassicas. Isorhamnetin 7-glucoside is isolated from various plants including Brassica napus (oilseed rape Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].

   

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


   
   

3,4,5-trihydroxy-6-{[3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

3,4,5-trihydroxy-6-{[3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C21H18O13 (478.0747378)


   

Estragonoside

5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

C22H22O12 (478.1111212)


Estragonoside is found in herbs and spices. Estragonoside is a constituent of Artemisia dracunculus (tarragon). Constituent of Artemisia dracunculus (tarragon). Estragonoside is found in herbs and spices.

   

6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


   

Pollenin B

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

C22H22O12 (478.1111212)


Pollenin B is found in tea. Pollenin B is isolated from the pollen of Camellia sinensis (tea). Isolated from the pollen of Camellia sinensis (tea). Pollenin B is found in tea.

   

Rhamnetin 3-galactoside

Rhamnetin 3-galactoside

C22H22O12 (478.1111212)


   

1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside

1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

C22H22O12 (478.1111212)


1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits. 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is isolated from Diospyros discolor (mabolo). Isolated from Diospyros discolor (mabolo). 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits.

   

Eupafolin 4'-glucoside

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

C22H22O12 (478.1111212)


Eupafolin 4-glucoside is found in herbs and spices. Eupafolin 4-glucoside is a constituent of rosemary (Rosmarinus officinalis). Constituent of rosemary (Rosmarinus officinalis). Eupafolin 4-glucoside is found in herbs and spices.

   

Azaleatin 3-glucoside

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

C22H22O12 (478.1111212)


Azaleatin 3-glucoside is found in nuts. Azaleatin 3-glucoside is isolated from apples and pecan nuts. Isolated from pecan nuts Carya pecan and apples. Azaleatin 3-galactoside is found in pomes and nuts.

   

8-Hydroxyluteolin 4'-methyl ether 8-glucoside

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

C22H22O12 (478.1111212)


8-Hydroxyluteolin 4-methyl ether 8-glucoside is found in herbs and spices. 8-Hydroxyluteolin 4-methyl ether 8-glucoside is isolated from Althaea officinalis (marsh mallow). Isolated from Althaea officinalis (marsh mallow). 8-Hydroxyhesperetin 8-glucoside is found in tea, herbs and spices, and root vegetables.

   

6-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


   

Quercetin-4'-glucuronide

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

C21H18O13 (478.0747378)


Quercetin-4-glucuronide is found in fruits, a constituent of guava. It is a metabolite of the dietary flavonols found in urine.

   

6-Methoxyluteolin 3'-glucoside

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

C22H22O12 (478.1111212)


6-Methoxyluteolin 3-glucoside is found in herbs and spices. 6-Methoxyluteolin 3-glucoside is a constituent of rosemary Rosmarinus officinalis. Constituent of rosemary Rosmarinus officinalis. 6-Methoxyluteolin 3-glucoside is found in herbs and spices.

   

Hesperetin 3'-O-glucuronide

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H22O12 (478.1111212)


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

   

Hesperetin 7-O-glucuronide

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

C22H22O12 (478.1111212)


Hesperetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Quercetin 3'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

C21H18O13 (478.0747378)


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

   

Hesperetin 5-glucuronide

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

C22H22O12 (478.1111212)


   

AUREOMYCIN

7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid

C22H23ClN2O8 (478.1142868)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

   

Cefcanel

7-[(2-Hydroxy-2-phenylacetyl)amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C19H18N4O5S3 (478.04392980000006)


   

Chembl456066

7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide

C22H23ClN2O8 (478.1142868)


   

Edta citrate

2-{11-hydroxy-6,9,13,16,19,22-hexaoxo-7,8,14,15,20,21-hexaoxa-1,4-diazabicyclo[9.6.5]docosan-4-yl}acetic acid

C16H18N2O15 (478.0707158)


   

5-Methoxyglucobrassicin

{[(Z)-[2-(5-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C17H22N2O10S2 (478.0715832)


5-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methoxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

   

Lappaphen A

3-hydroxy-6,9-dimethylidene-3-(2-oxo-2-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethyl)-dodecahydroazuleno[4,5-b]furan-2-one

C27H26O4S2 (478.12724360000004)


Lappaphen b belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Lappaphen b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaphen b can be found in burdock, which makes lappaphen b a potential biomarker for the consumption of this food product.

   

Isorhamnetin 3-beta-D-glucoside

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

C22H22O12 (478.1111212)


Isorhamnetin 3-beta-d-glucoside, also known as isorhamnetin-3-glu, 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. Isorhamnetin 3-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-beta-d-glucoside can be synthesized from beta-D-glucose. Isorhamnetin 3-beta-d-glucoside can also be synthesized into isorhamnetin. Isorhamnetin 3-beta-d-glucoside can be found in sea-buckthornberry, which makes isorhamnetin 3-beta-d-glucoside a potential biomarker for the consumption of this food product. Isorhamnetin 3-beta-d-glucoside may be a unique S.cerevisiae (yeast) metabolite. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].

   

Riboflavin 5'-phosphate, sodium

sodium 10-[(2R,3R,4S)-5-(hydrogen phosphonatooxy)-2,3,4-trihydroxypentyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione

C17H20N4NaO9P (478.08655600000003)


It is used as a food additive . Riboflavin phosphate sodium (FMN-Na) is a derivative of Riboflavin (vitamin B2) which is an essential nutrient for animals. Riboflavin phosphate sodium can be used for the research of progressive keratoconus, corneal ectasia and irregular astigmatism[1][2]. Riboflavine phosphate sodium is a very effective NAD+-recycling agent[3].

   

4-Methoxyglucobrassicin

{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C17H22N2O10S2 (478.0715832)


4-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

   

7-methylsulfinylheptyl glucosinolate

2-(hydroxymethyl)-6-({8-methanesulfinyl-1-[(sulfonatooxy)imino]octyl}sulfanyl)oxane-3,4,5-triol

C15H28NO10S3 (478.08752880000003)


7-methylsulfinylheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylsulfinylheptyl glucosinolate can be found in a number of food items such as kumquat, chinese cabbage, medlar, and banana, which makes 7-methylsulfinylheptyl glucosinolate a potential biomarker for the consumption of these food products.

   

Quercetin 4-glucuronide

Quercetin 4-glucuronide

C21H18O13 (478.0747378)


   

Quercetin-3-glucuronide

Quercetin-3-glucuronide

C21H18O13 (478.0747378)


   

Querciturone

QUERCETIN-3-O-GLUCURONIDE

C21H18O13 (478.0747378)


Acquisition and generation of the data is financially supported in part by CREST/JST. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Miquelianin

(2S,3S,4S,5R,6S)-6-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C21H18O13 (478.0747378)


Miquelianin is a quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. It has a role as a metabolite, an antioxidant and an antidepressant. It is a beta-D-glucosiduronic acid and a quercetin O-glycoside. quercetin 3-O-glucuronide is a natural product found in Theobroma grandiflorum, Eucalyptus cypellocarpa, and other organisms with data available. See also: Bilberry (part of); Theobroma grandiflorum seed (part of). A quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

3-Glucosylisorhamnetin

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one

C22H22O12 (478.1111212)


Isorhamnetin 3-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone, a trihydroxyflavone and a beta-D-glucoside. It is functionally related to an isorhamnetin and a beta-D-glucose. isorhamnetin-3-O-glucoside is a natural product found in Astragalus varius, Phoenix canariensis, and other organisms with data available. Isorhamnetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Ginkgo (part of). A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].

   

Methyl paederosidate

methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

C19H26O12S (478.11449160000006)


Paederosidic acid methyl ester is a natural product found in Paederia scandens and Paederia foetida with data available. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].

   

Mearnsitrin

2- (4-Methoxy-3,5-dihydroxyphenyl) -3- (6-deoxy-alpha-L-mannopyranosyloxy) -5,7-dihydroxy-4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

Quercetin 3-galacturonide

Quercetin 3-galacturonide

C21H18O13 (478.0747378)


   

Ranupenin 3-rhamnoside

3,5,8,3,4-Pentahydroxy-7-methoxyflavone 3-rhamnoside

C22H22O12 (478.1111212)


   

Patuletin 3-rhamnoside

3,5,7,3,4-Pentahydroxy-6-methoxyflavon 3-rhamnoside

C22H22O12 (478.1111212)


   

Sexangularetin 3-galactoside

3,5,7,4-Tetrahydroxy-8-methoxyflavone 3-galactoside

C22H22O12 (478.1111212)


   

Laricitrin 3-rhamnoside

Laricitrin 3-rhamnoside

C22H22O12 (478.1111212)


   

6-Hydroxykaempferol 3-methyl ether 7-glucoside

6-Hydroxykaempferol 3-methyl ether 7-glucoside

C22H22O12 (478.1111212)


   

5,2,4,5-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

5,2,4,5-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

C22H22O12 (478.1111212)


   

Myricetin 3,4-dimethyl ether 3-xyloside

5,7,3,5-Tetrahydroxy-3,4-dimethoxyflavone 3-xyloside

C22H22O12 (478.1111212)


   

8-Hydroxyluteolin 3-methyl ether 7-glucoside

8-Hydroxyluteolin 3-methyl ether 7-glucoside

C22H22O12 (478.1111212)


   

Quercetin 3-methyl ether 5-glucoside

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

C22H22O12 (478.1111212)


   

6-Hydroxyluteolin 6-glucuronide

5,6,7,3,4-Pentahydroxyflavone 6-glucuronide

C21H18O13 (478.0747378)


   

8-Hydroxyluteolin 8-glucuronide

5,7,8,3,4-Pentahydroxyflavone 8-glucuronide

C21H18O13 (478.0747378)


   

Myricetin 5-methyl ether 3-rhamnoside

Myricetin 5-methyl ether 3-rhamnoside

C22H22O12 (478.1111212)


   

Dihydrokaempferide 3-glucuronide

Dihydrokaempferide 3-glucuronide

C22H22O12 (478.1111212)


   

Quercetin 7-glucuronide

3,5,7,3,4-Pentahydroxyflavone 7-glucuronide

C21H18O13 (478.0747378)


   

Europetin 3-rhamnoside

Europetin 3-rhamnoside

C22H22O12 (478.1111212)


   

Syringetin 3-xyloside

Syringetin 3-xyloside

C22H22O12 (478.1111212)


   

Tamarixetin 7-glucoside

Tamarixetin 7-glucoside

C22H22O12 (478.1111212)


   

Tamarixetin 3-galactoside

3- (beta-D-Galactopyranosyloxy) -5,7-dihydroxy-2- (3-hydroxy-4-methoxyphenyl) -4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

3,4-Dihydro-3-methoxypaederoside

(-)-3,4-Dihydro-3-methoxypaederoside

C19H26O12S (478.11449160000006)


   

Selgin 7-O-glucoside

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

C22H22O12 (478.1111212)


   

Quercetin 3-methyl ether 3-galactoside

Quercetin 3-methyl ether 3-galactoside

C22H22O12 (478.1111212)


   

Isoetin 4-glucuronide

4- (5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl) -2,5-dihydroxyphenyl beta-D-glucopyranosiduronic acid

C21H18O13 (478.0747378)


   

6-Hydroxykaempferol 4-methyl ether 7-glucoside

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

C22H22O12 (478.1111212)


   

Isorhamnetin 5-galactoside

5-(beta-D-Galactopyranosyloxy)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   
   

Quercetin 3-methyl ether 4-glucoside

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

C22H22O12 (478.1111212)


   

Annulatin 7-rhamnoside

5,7,3,4,5-Pentahydroxy-3-methoxyflavone 7-rhamnoside

C22H22O12 (478.1111212)


   

6-Hydroxyluteolin 7-glucuronide

6-Hydroxyluteolin 7-glucuronide

C21H18O13 (478.0747378)


   

Eupatolitin 3-apioside

3,5,3,4-Tetrahydroxy-6,7-dimethoxyflavone 3-apioside

C22H22O12 (478.1111212)


   
   
   

6-Methoxykaempferol 3-galactoside

3,5,7,4-Tetrahydroxy-6-methoxyflavone 3-galactoside

C22H22O12 (478.1111212)


   

Paederosidic acid methyl ester

Paederosidic acid methyl ester

C19H26O12S (478.11449160000006)


Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].

   

Herbacetin 8-glucuronide

3,5,7,8,4-Pentahydroxyflavone 8-glucuronide

C21H18O13 (478.0747378)


   

14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A

14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A

C20H32Br2O3 (478.0718042)


   

6-Hydroxyrhamnocitrin 3-O-glucoside

6-Hydroxyrhamnocitrin 3-O-glucoside

C22H22O12 (478.1111212)


   

6-Hydroxykaempferol 3-methyl ether 6-glucoside

5,6,7,4-Tetrahydroxy-3-methoxyflavone 6-glucoside

C22H22O12 (478.1111212)


   

5,6,7,4-Tetrahydroxy-8-methoxyisoflavone 7-O-glucoside

5,6,7,4-Tetrahydroxy-8-methoxyisoflavone 7-O-glucoside

C22H22O12 (478.1111212)


   

6-Methoxykaempferol 7-glucoside

3,5,7,4-Tetrahydroxy-6-methoxyflavone 7-glucoside

C22H22O12 (478.1111212)


   

8-C-Rhamnosyleuropetin

8- (6-Deoxy-alpha-L-mannopyranosyl) -3,5-dihydroxy-7-methoxy-2- (3,4,5-trihydroxyphenyl) -4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

5-Methoxyglucobrassicin

5-Methyoxy-3-indolylmethylglucosinolate

C17H22N2O10S2 (478.0715832)


   

Quercetin 3-methyl ether 3-glucoside

Quercetin 3-methyl ether 3-glucoside

C22H22O12 (478.1111212)


   

Rhamnetin 5-glucoside

Rhamnetin 5-glucoside

C22H22O12 (478.1111212)


   
   

Quercetin 5-glucuronide

2- (3,4-Dihydroxyphenyl) -3,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid

C21H18O13 (478.0747378)


   

Desalanylbenanomicinone

Desalanylbenanomicinone

C25H18O10 (478.0899928)


   
   

Hypolaetin 7-O-glucuronide

Hypolaetin 7-O-glucuronide

C21H18O13 (478.0747378)


   

Miquelianin

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Quercetin 3-methyl ether 7-glucoside

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

C22H22O12 (478.1111212)


   

6-Hydroxyluteolin 7-methyl ether 6-galactoside

5,6,3,4-Tetrahydroxy-7-methoxyflavone 6-galactoside

C22H22O12 (478.1111212)


   

6-Methoxykaempferol 3-glucoside

3,5,7,4-Tetrahydroxy-6-methoxyflavone 3-glucoside

C22H22O12 (478.1111212)


   

Sexangularetin 3-glucoside

Sexangularetin 3-glucoside

C22H22O12 (478.1111212)


   

Rhamnetin 3-glucoside

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

C22H22O12 (478.1111212)


   

Isorhamnetin 5-glucoside

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

C22H22O12 (478.1111212)


   

Tamarixin

2- (3-Hydroxy-4-methoxyphenyl) -3- (beta-D-glucopyranosyloxy) -5,7-dihydroxy-4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

Azaleatin 3-galactoside

3,7,3,4-Tetrahydroxy-5-methoxyflavone 3-galactoside

C22H22O12 (478.1111212)


   

Isorhamnetin 3-galactoside

3- (beta-D-Galactopyranosyloxy) -5,7-dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

Isorhamnetin 3-glucoside

2- (3-Methoxy-4-hydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5,7-dihydroxy-4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].

   

Nepitrin

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

C22H22O12 (478.1111212)


Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].

   

Nepetin 4-glucoside

2- [ 4- (beta-D-Glucopyranosyloxy) -3-hydroxyphenyl ] -5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

C22H22O12 (478.1111212)


   

Quercetin 4-glucuronide

2-Hydroxy-4- (3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl) phenyl beta-D-glucopyranosiduronic acid

C21H18O13 (478.0747378)


   

Rhamnetin 3-galactoside

3,4,5-Trihydroxy-3- (beta-D-galactopyranosyloxy) -7-methoxyflavone

C22H22O12 (478.1111212)


   

6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose

6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose

C22H22O12 (478.1111212)


   

Petunidin 3-O-beta-D-galactopyranoside

Petunidin 3-O-beta-D-galactopyranoside

C22H22O12 (478.1111212)


   
   
   

3,15-dibromo-7,12,16-trihydroxyisopimar-9(11)-ene|3,15-Dibromo-9(11)-isopimarene-7,16-diol-12alpha-Hydroxy

3,15-dibromo-7,12,16-trihydroxyisopimar-9(11)-ene|3,15-Dibromo-9(11)-isopimarene-7,16-diol-12alpha-Hydroxy

C20H32Br2O3 (478.0718042)


   
   

Dermocybin-1-beta-D-glucopyranosid

Dermocybin-1-beta-D-glucopyranosid

C22H22O12 (478.1111212)


   

2-O-beta-D-glycopyranosyl-1,2,4,8-tetrahydroxy-6-methoxy-3-methylanthraquinone

2-O-beta-D-glycopyranosyl-1,2,4,8-tetrahydroxy-6-methoxy-3-methylanthraquinone

C22H22O12 (478.1111212)


   

O-glucuronyl quercetin

O-glucuronyl quercetin

C21H18O13 (478.0747378)


   
   

(S)-(-)-5,7,3,5-tetrahydroxyflavanone 7-O-(methyl beta-D-glucopyranosiduronate)|garccowaside C

(S)-(-)-5,7,3,5-tetrahydroxyflavanone 7-O-(methyl beta-D-glucopyranosiduronate)|garccowaside C

C22H22O12 (478.1111212)


   

3-O-methylellagic acid 4-O-(beta-D-glucoside)|3-O-methylellagic acid 4-glucoside

3-O-methylellagic acid 4-O-(beta-D-glucoside)|3-O-methylellagic acid 4-glucoside

C21H18O13 (478.0747378)


   
   

ophioglonol 4-O-beta-D-glucopyranoside

ophioglonol 4-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.

   
   

3-methoxyellagic acid 4-O-beta-D-1C4-glucopyranoside|3-O-methylellagic acid 4-O-beta-D-glucopyranoside

3-methoxyellagic acid 4-O-beta-D-1C4-glucopyranoside|3-O-methylellagic acid 4-O-beta-D-glucopyranoside

C21H18O13 (478.0747378)


   

(+)-dalesconol B|dalesconol B|sporothrin B

(+)-dalesconol B|dalesconol B|sporothrin B

C29H18O7 (478.1052478)


   

Fasciculiferol|Fasciculin B

Fasciculiferol|Fasciculin B

C25H18O10 (478.0899928)


   

1-O-coumaroyl-6-O-galloyl-beta-D-glucopyranose

1-O-coumaroyl-6-O-galloyl-beta-D-glucopyranose

C22H22O12 (478.1111212)


   
   

Mingjinianuronide A|Mingjinianuronide B

Mingjinianuronide A|Mingjinianuronide B

C21H18O13 (478.0747378)


   

pedalitin-3-O-glucoside

pedalitin-3-O-glucoside

C22H22O12 (478.1111212)


   
   

4-O-methylellagic acid 4-O-beta-D-glucopyranoside

4-O-methylellagic acid 4-O-beta-D-glucopyranoside

C21H18O13 (478.0747378)


   

isorhamnetin 3-galactofuranoside

isorhamnetin 3-galactofuranoside

C22H22O12 (478.1111212)


   

4-O-(6-O-galloyl-beta-D-glucopyranosyl)-cis-p-coumaric acid|4-O-(6-O-Galloyl-??-D-glucopyranosyl)-cis-p-coumaric acid

4-O-(6-O-galloyl-beta-D-glucopyranosyl)-cis-p-coumaric acid|4-O-(6-O-Galloyl-??-D-glucopyranosyl)-cis-p-coumaric acid

C22H22O12 (478.1111212)


   
   

6-hydroxyluteolin 8-glucuronide

6-hydroxyluteolin 8-glucuronide

C21H18O13 (478.0747378)


   

herbacetin 3-O-glucuronide

herbacetin 3-O-glucuronide

C21H18O13 (478.0747378)


   

ophioglonol 7-O-beta-D-glucopyranoside|pedunculosumoside G

ophioglonol 7-O-beta-D-glucopyranoside|pedunculosumoside G

C22H22O12 (478.1111212)


   

5,7,3,4-tetrahydroxy-6-methoxy-8-C-beta-D-glucopyranosyl flavonoside

5,7,3,4-tetrahydroxy-6-methoxy-8-C-beta-D-glucopyranosyl flavonoside

C22H22O12 (478.1111212)


   

hypolaetin 5-O-beta-D-glucuronopyranoside

hypolaetin 5-O-beta-D-glucuronopyranoside

C21H18O13 (478.0747378)


   

4-O-(3-methylgalloyl)bergenin

4-O-(3-methylgalloyl)bergenin

C22H22O12 (478.1111212)


   
   

quercetin 3-O-beta-D-glucuronopyranosylmethyl ester

quercetin 3-O-beta-D-glucuronopyranosylmethyl ester

C22H22O12 (478.1111212)


   

6-methylquercetin-4-O-beta-D-glucopyranoside

6-methylquercetin-4-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


   

11-O-vanilloylbergenin|bergenin 11-O-vanillate

11-O-vanilloylbergenin|bergenin 11-O-vanillate

C22H22O12 (478.1111212)


   
   

(1S)-1,5-anhydro-1-C-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|flemiphilippininside

(1S)-1,5-anhydro-1-C-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|flemiphilippininside

C22H22O12 (478.1111212)


   

(3-[3-hydroxy-5-methoxyphenyl]-5-methoxy-7-oxo-3,7-dihydro-2H-[1,4]dioxino[2,3-c]xanthen-2-yl)methyl acetate|hypericorin A

(3-[3-hydroxy-5-methoxyphenyl]-5-methoxy-7-oxo-3,7-dihydro-2H-[1,4]dioxino[2,3-c]xanthen-2-yl)methyl acetate|hypericorin A

C26H22O9 (478.1263762)


   
   
   

11-O-beta-D-glucopyranosyloxy-5-methoxy-6-oxabenzochrysen-1-one|haemodoroxychrysenose

11-O-beta-D-glucopyranosyloxy-5-methoxy-6-oxabenzochrysen-1-one|haemodoroxychrysenose

C26H22O9 (478.1263762)


   

11-O-deacetylpinnaterpene C|rel-(1R,3aR,4R,7S,7aR,9S)-4-bromo-1-{[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-octahydro-7-methyl-7,3a-(epoxymethano)-3aH-inden-9-ol

11-O-deacetylpinnaterpene C|rel-(1R,3aR,4R,7S,7aR,9S)-4-bromo-1-{[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-octahydro-7-methyl-7,3a-(epoxymethano)-3aH-inden-9-ol

C20H32Br2O3 (478.0718042)


   

12S-hydroxybromosphaerodiol

12S-hydroxybromosphaerodiol

C20H32Br2O3 (478.0718042)


   

5,7,3,4-tetrahydroxyflavone 2-O-beta-D-glucopyranuronide

5,7,3,4-tetrahydroxyflavone 2-O-beta-D-glucopyranuronide

C21H18O13 (478.0747378)


   

7-Me ether-3,3,4,5,5,7-Hexahydroxy-8-rhamnopyranosylflavone

7-Me ether-3,3,4,5,5,7-Hexahydroxy-8-rhamnopyranosylflavone

C22H22O12 (478.1111212)


   
   

quercetin-3-O-beta-D-glucopyranoside

quercetin-3-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


   

beta-D-glucopyranosyl-(6->1)-beta-D-rhamnosyl 3,4,5-trihydroxybenzoate

beta-D-glucopyranosyl-(6->1)-beta-D-rhamnosyl 3,4,5-trihydroxybenzoate

C19H26O14 (478.1322496)


   

Eriodictyl 7-O-??-D-(6-methyl ester)-glucuronopyranoside

Eriodictyl 7-O-??-D-(6-methyl ester)-glucuronopyranoside

C22H22O12 (478.1111212)


   

1-O-[(E)-p-coumaroyl]-3-O-galloyl-beta-D-glucopyranose|beta-D-glucopyranose 1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoate] 3-(3,4,5-trihydroxybenzoate)

1-O-[(E)-p-coumaroyl]-3-O-galloyl-beta-D-glucopyranose|beta-D-glucopyranose 1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoate] 3-(3,4,5-trihydroxybenzoate)

C22H22O12 (478.1111212)


   
   
   

3-O-Digalloylshikimic acid

3-O-Digalloylshikimic acid

C21H18O13 (478.0747378)


   

3-hydroxytectoridin|4H-1-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-(beta-D-glucopyranosyloxy)-|Ordoritin-glucoside

3-hydroxytectoridin|4H-1-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-(beta-D-glucopyranosyloxy)-|Ordoritin-glucoside

C22H22O12 (478.1111212)


   

2,5-Bis-(beta-D-glucopyranosyloxy)-benzoesaeure|Gentisat-2,5-di-beta-D-glucosid

2,5-Bis-(beta-D-glucopyranosyloxy)-benzoesaeure|Gentisat-2,5-di-beta-D-glucosid

C19H26O14 (478.1322496)


   
   

(-)-shikimic acid 3,4-O-digallate|3,4-Di-O-galloylshikimic acid

(-)-shikimic acid 3,4-O-digallate|3,4-Di-O-galloylshikimic acid

C21H18O13 (478.0747378)


   
   

CCG-100602

CCG-100602

C21H17ClF6N2O2 (478.0882684)


CCG-100602 is a specific inhibitor of myocardin-related transcription factor A/serum response factor (MRTF-A/SRF) signaling. CCG-100602 specifically block MRTF-A nuclear localization and thus inhibit the fibrogenic transcription factor SRF[1][2].

   

O-methylQuercetin O-hexoside

O-methylQuercetin O-hexoside

C22H22O12 (478.1111212)


   

Pulchellidin 3-glucoside

Pulchellidin 3-glucoside

C22H22O12 (478.1111212)


   

Selgin 5-O-hexoside

Selgin 5-O-hexoside

C22H22O12 (478.1111212)


   

Stachyanthuside A

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-8-methoxy-

C21H18O13 (478.0747378)


Stachyanthuside A is a natural product found in Eucalyptus globulus with data available.

   

Brassicin

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

C22H22O12 (478.1111212)


Isorhamnetin 7-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It is functionally related to a beta-D-glucose and an isorhamnetin. Isorhamnetin 7-glucoside is a natural product found in Salix caprea, Sedum acre, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].

   

Pedaliin

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

C22H22O12 (478.1111212)


Pedaliin is a member of flavonoids and a glycoside. Pedaliin is a natural product found in Pterogyne nitens, Dracocephalum tanguticum, and Sesamum indicum with data available.

   

Chlortetracycline

Chlortetracycline

C22H23ClN2O8 (478.1142868)


A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics 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 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3680

   

4-Methoxy-3-indolylmethyl glucosinolate

4-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

quercetin 3-O-glucuronide

quercetin 3-O-glucuronide

C21H18O13 (478.0747378)


Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Isorhamnetin-3-O-glucoside

Isorhamnetin-3-glucoside-glucopyranoside

C22H22O12 (478.1111212)


Isorhamnetin 3-o-b-d-glucopyranoside, also known as isorhamnetin-3-O-galactoside, 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. Thus, isorhamnetin 3-o-b-d-glucopyranoside is considered to be a flavonoid lipid molecule. Isorhamnetin 3-o-b-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-o-b-d-glucopyranoside can be found in a number of food items such as common grape, caraway, ginkgo nuts, and grape wine, which makes isorhamnetin 3-o-b-d-glucopyranoside a potential biomarker for the consumption of these food products. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].

   

isorhamnetin 3-O-glucoside

Isorhamnetin 3-O-galactoside

C22H22O12 (478.1111212)


Acquisition and generation of the data is financially supported in part by CREST/JST. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].

   

quercetin-3-glucuronide

QUERCETIN-3-O-GLUCURONIDE

C21H18O13 (478.0747378)


Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00168861-02!(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O13 (478.0747378)


   

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

NCGC00180574-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

NCGC00169555-02!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

NCGC00384527-01!2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

NCGC00381325-01![3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

C22H22O12 (478.1111212)


   

(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

C21H18O13 (478.0747378)


   

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

NCGC00384759-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one

C22H22O12 (478.1111212)


   

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

NCGC00384521-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

NCGC00347854-02!(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

C21H18O13 (478.0747378)


   

1-Methoxy-3-indolylmethyl glucosinolate

1-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


   

Isorhamnetin 3-O-galactoside

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

C22H22O12 (478.1111212)


   

N-Methoxy-3-indolylmethyl glucosinolate

N-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


   
   

4-Methoxyindol-3-ylmethyl glucosinolate

4-Methoxyindol-3-ylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


   

1-Methoxyindol-3-ylmethyl glucosinolate

1-Methoxyindol-3-ylmethyl glucosinolate

C17H22N2O10S2 (478.0715832)


   

QUERCETIN GLUCURONIDE

QUERCETIN-3-O-GLUCURONIDE

C21H18O13 (478.0747378)


Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Quercetin 3-glucuronide

QUERCETIN-3-O-GLUCURONIDE

C21H18O13 (478.0747378)


Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Neoglucobrassicin

Neoglucobrassicin

C17H22N2O10S2 (478.0715832)


An indolyl carbohydrate that is glucobrassicin methoxy substituted at position 1 of the indole moiety.

   

QUERCETIN-3-O-GLUCURONIDE

Quercetin 3-beta-D-glucuropyranoside

C21H18O13 (478.0747378)


Annotation level-1 Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.

   

Isorhamnetin 4-glucoside

Isorhamnetin 4-glucoside

C22H22O12 (478.1111212)


   

4-Methoxyglucobrassicin (4-Methoxy-3-indolylmethyl glucosinolate)

4-Methoxyglucobrassicin (4-Methoxy-3-indolylmethyl glucosinolate)

C17H22N2O10S2 (478.0715832)


   

Neoglucobrassicin (1-Methoxy-3-indolylmethyl glucosinolate)

Neoglucobrassicin (1-Methoxy-3-indolylmethyl glucosinolate)

C17H22N2O10S2 (478.0715832)


   

Isorhamnetin-3-glucoside

Isorhamnetin-3-glucoside

C22H22O12 (478.1111212)


   

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

C22H22O12 (478.1111212)


   

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

Indolylmethyl glucosinolate + 1MeO

Indolylmethyl glucosinolate + 1MeO

C17H22N2O10S2 (478.0715832)


Annotation level-3

   

(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based: Match]

NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based: Match]

C21H18O13 (478.0747378)


   

5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]

NCGC00384759-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]

C22H22O12 (478.1111212)


   

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]

NCGC00169555-02!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]

C22H22O12 (478.1111212)


   

(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based on: CCMSLIB00000848156]

NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based on: CCMSLIB00000848156]

C21H18O13 (478.0747378)


   

Scopolin

Afzelin (kaempferol 3-rhamnoside)

C17H22N2O10S2 (478.0715832)


   

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_major

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_major

C22H22O12 (478.1111212)


   

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_26.4\\%

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_26.4\\%

C22H22O12 (478.1111212)


   

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_54.5\\%

[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_54.5\\%

C22H22O12 (478.1111212)


   

Asp Asp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]butanedioic acid

C16H22N4O13 (478.1183322)


   

GW 590735

2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid

C23H21F3N2O4S (478.11740620000006)


   

Petunidin 3-galactoside

Petunidin 3-galactoside

C22H22O12 (478.1111212)


   

Petunidin 3-glucoside

Petunidin 3-O-glucoside

C22H22O12 (478.1111212)


   

Tricetin 3-methyl ether 7-glucoside

Tricetin 3-methyl ether 7-glucoside

C22H22O12 (478.1111212)


   

6-methoxyluteolin 7-glucoside

6-methoxyluteolin 7-glucoside

C22H22O12 (478.1111212)


   

6-Hydroxyluteolin 7-methyl ether 6-glucoside

6-Hydroxyluteolin 7-methyl ether 6-glucoside

C22H22O12 (478.1111212)


   

8-Hydroxyluteolin 4-methyl ether 8-glucoside

8-Hydroxyluteolin 4-methyl ether 8-glucoside

C22H22O12 (478.1111212)


   

Isorhamnetin 7-glucoside

Isorhamnetin 7-glucoside

C22H22O12 (478.1111212)


   

Azaleatin 3-glucoside

Azaleatin 3-glucoside

C22H22O12 (478.1111212)


   

Quercetin 3-methyl ether 7-galactoside

Quercetin 3-methyl ether 7-galactoside

C22H22O12 (478.1111212)


   

Herbacetin 7-methyl ether 3-glucoside

Herbacetin 7-methyl ether 3-glucoside

C22H22O12 (478.1111212)


   

Quercetin-4-glucuronide

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

C21H18O13 (478.0747378)


   

Estragonoside

5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

C22H22O12 (478.1111212)


   

Alliumoside A

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

C22H22O12 (478.1111212)


   

2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-b-D-glucopyranoside

4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3,4,5-trihydroxybenzoate

C22H22O12 (478.1111212)


   

1-Methoxy-4-phenylpyridinium iodide

1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

C22H22O12 (478.1111212)


   

Pollenin B

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

C22H22O12 (478.1111212)


   

6-Methoxyluteolin 3'-glucoside

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

C22H22O12 (478.1111212)


   

Nepetin 4'-glucoside

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

C22H22O12 (478.1111212)


   

Quercetin 3'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

C21H18O13 (478.0747378)


   

Rhaunoside F

Nepetin-3-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


   

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide

C18H19BrN6O5 (478.0600224)


   
   
   
   

AZD-7547

4-[(3-Chloro-4-{[(2r)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanoyl]amino}phenyl)sulfonyl]-N,N-Dimethylbenzamide

C19H18ClF3N2O5S (478.05770040000004)


   

BRL-15572

BRL-15572

C25H29Cl3N2O (478.1345354)


BRL-15572 dihydrochloride is a selective antagonist of h5-HT1D, displays high affinity for h5-HT1D receptors. BRL-15572 dihydrochloride could be useful pharmacological agents to characterise 5-HT1D receptor mediated responses[1].

   
   

1,5-Bis(2-carboxyanilino)anthraquinone

Benzoic acid,2,2-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)diimino]bis-

C28H18N2O6 (478.1164808)


   

2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate

2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate

C20H22N4O4S3 (478.08031320000003)


   

4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene

4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene

C23H28Br2O (478.0506758)


   

4-[[(4-hydroxy-3-methoxyphenyl)-(4-sulfamoylanilino)methyl]amino]benzenesulfonamide

4-[[(4-hydroxy-3-methoxyphenyl)-(4-sulfamoylanilino)methyl]amino]benzenesulfonamide

C20H22N4O6S2 (478.0980712)


   

(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C19H18N4O5S3 (478.04392980000006)


   

2-amino-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile

C22H18N6O5S (478.1059338)


   

3,4-Dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

3,4-Dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

C22H22O12 (478.1111212)


   

Taprenepag

Taprenepag

C24H22N4O5S (478.13108420000003)


C78568 - Prostaglandin Analogue

   

Beigene-283

Beigene-283

C25H17F3N4O3 (478.12526879999996)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Lifirafenib (BGB-283) is a novel and potent Raf Kinase and EGFR inhibitor with IC50 values of 23 and 29 nM for recombinant BRafV600E and EGFR, respectively.

   

2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid

2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid

C23H21F3N2O4S (478.11740620000006)


   

Riboflavin sodium phosphate

Riboflavin-5-phosphate sodium

C17H20N4NaO9P (478.08655600000003)


D018977 - Micronutrients > D014815 - Vitamins Riboflavin phosphate sodium (FMN-Na) is a derivative of Riboflavin (vitamin B2) which is an essential nutrient for animals. Riboflavin phosphate sodium can be used for the research of progressive keratoconus, corneal ectasia and irregular astigmatism[1][2]. Riboflavine phosphate sodium is a very effective NAD+-recycling agent[3].

   

Pedunculosumoside G

Pedunculosumoside G

C22H22O12 (478.1111212)


A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.

   

6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H26N4O5S2 (478.1344546)


   
   

3,5-Di-O-galloylshikimic acid

3,5-Di-O-galloylshikimic acid

C21H18O13 (478.0747378)


   

(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

C21H18O13 (478.0747378)


   

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C22H22O12 (478.1111212)


   

isorhamnetin 4-O-beta-D-glucopyranoside

isorhamnetin 4-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is isorhamnetin substituted at position 4 by a beta-D-glucosyl residue.

   

3-O-methyltricetin 3-O-alpha-L-rhamnopyranoside

3-O-methyltricetin 3-O-alpha-L-rhamnopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is 3-O-methyltricetin substituted by an alpha-L-rhamnopyranosyl residue at position 3.

   

Myricitrin-5-methyl ether

Myricitrin-5-methyl ether

C22H22O12 (478.1111212)


A monomethoxyflavone that is the 5-methyl ether derivative of myricitrin. Isolated from Rhododendron yedoense var poukhanense, it exhibits antioxidant activity.

   

Rhamnetin 3-O-beta-glucopyranoside

Rhamnetin 3-O-beta-glucopyranoside

C22H22O12 (478.1111212)


   
   
   
   
   

(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate

(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate

C20H24N5O7S- (478.1396374)


   

(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

C21H24N3O8S- (478.1284044)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C17H22N2O10S2 (478.0715832)


   
   
   

3-L-methionyl-AMP

3-L-methionyl-AMP

C15H23N6O8PS (478.1035648)


An L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with the 3-hydroxy group of AMP.

   

4-Methylsulfonylbenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-Methylsulfonylbenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H18N2O5S2 (478.0657098)


   

2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester

2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester

C25H22N2O6S (478.1198512)


   

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide

C22H20Cl2N2O4S (478.05207800000005)


   

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide

C24H22N4O3S2 (478.1133262)


   

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide

C21H19ClN2O5S2 (478.04238740000005)


   

isorhamnetin 7-O-beta-L-glucopyranoside

isorhamnetin 7-O-beta-L-glucopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-L-glucosyl residue.

   

isorhamnetin 3-O-beta-L-glucopyranoside

isorhamnetin 3-O-beta-L-glucopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-glucosyl residue.

   

N-(4-ethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide

N-(4-ethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide

C21H22N2O5S3 (478.06908020000003)


   

N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide

N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide

C26H23ClN2O5 (478.1295418)


   

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide

C24H22N4O5S (478.13108420000003)


   

1-[1-chloro-2-[(2-nitrophenyl)thio]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone

1-[1-chloro-2-[(2-nitrophenyl)thio]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone

C26H23ClN2O3S (478.1117838)


   

2,2-dimethyl-6,7-bis[(4-nitrophenyl)methoxy]-3H-chromen-4-one

2,2-dimethyl-6,7-bis[(4-nitrophenyl)methoxy]-3H-chromen-4-one

C25H22N2O8 (478.1376092)


   

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,6-trifluorophenyl)sulfonylpiperazine

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,6-trifluorophenyl)sulfonylpiperazine

C18H17F3N2O6S2 (478.0480098)


   

(4S,4aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

(4S,4aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

C22H23ClN2O8 (478.1142868)


   

isorhamnetin 3-O-beta-L-galactopyranoside

isorhamnetin 3-O-beta-L-galactopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-galactosyl residue.

   

isorhamnetin 4-O-beta-L-glucopyranoside

isorhamnetin 4-O-beta-L-glucopyranoside

C22H22O12 (478.1111212)


A glycosyloxyflavone that is isorhamnetin substituted at position 4 by a beta-L-glucosyl residue.

   

ICR 340 dihydrochloride

ICR 340 dihydrochloride

C20H26Cl4N4O (478.0860626)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds

   

(4S,4aS,5aR,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

(4S,4aS,5aR,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

C22H23ClN2O8 (478.1142868)


   

petunidin 3-O-beta-D-galactoside

petunidin 3-O-beta-D-galactoside

C22H22O12 (478.1111212)


   

petunidin 3-O-beta-D-glucoside betaine

petunidin 3-O-beta-D-glucoside betaine

C22H22O12 (478.1111212)


   

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

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

C22H22O12 (478.1111212)


   

Isorhamnetin 4-O-glucoside

Isorhamnetin 4-O-glucoside

C22H22O12 (478.1111212)


   

1-Methoxy-3-indolylmethylglucosinolate

1-Methoxy-3-indolylmethylglucosinolate

C17H22N2O10S2 (478.0715832)


   

Methacycline hydrochloride (Physiomycine)

Methacycline hydrochloride (Physiomycine)

C22H23ClN2O8 (478.1142868)


   

Hesperetin 3-O-glucuronide

Hesperetin 3-O-glucuronide

C22H22O12 (478.1111212)


   

Hesperetin 7-O-glucuronide

Hesperetin 7-O-glucuronide

C22H22O12 (478.1111212)


   

2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

C22H22O12 (478.1111212)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C17H22N2O10S2 (478.0715832)


   

3-O-methylquercetin-7-O-beta-D-glucopyranoside

3-O-methylquercetin-7-O-beta-D-glucopyranoside

C22H22O12 (478.1111212)


A quercetin O-glucoside that is 3-O-methylquercetin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus.

   

DM-4103

DM-4103

C26H23ClN2O5 (478.1295418)


A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.

   

Belvarafenib

Belvarafenib

C23H16ClFN6OS (478.0778808)


Belvarafenib (HM95573) is a potent and pan RAF (Rapidly Accelerated Fibrosarcoma) inhibitor, with IC50s of 56 nM, 7 nM and 5 nM for B-RAF, B-RAFv600E and C-RAF respectively[1].