Chemical Formula: C21H18O11

Chemical Formula C21H18O11

Found 47 metabolite its formula value is C21H18O11

Baicalin

(2S,3S,4S,5R,6R)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


Baicalin is a flavone, a type of flavonoid. It is found in several species in the genus Scutellaria, including Scutellaria lateriflora (blue skullcap). There are 10 mg/g baicalin in Scutellaria galericulata (common skullcap) leaves. Baicalin is the glucuronide of baicalein. It is a component of Chinese medicinal herb Huang-chin (Scutellaria baicalensis) and one of the chemical ingredients of Sho-Saiko-To, an herbal supplement. Acquisition and generation of the data is financially supported in part by CREST/JST. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3]. Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3].

   

Apigenin

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

C21H18O11 (446.0849078)


Apigenin 7-glucuronide is a member of flavonoids and a glucosiduronic acid. Apigenin 7-glucuronide is a natural product found in Galeopsis tetrahit, Galeopsis ladanum, and other organisms with data available. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

Glucorhein

4-hydroxy-9,10-dioxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid

C21H18O11 (446.0849078)


Glucorhein is found in green vegetables. Glucorhein is isolated from Rheum palmatum (Chinese rhubarb). Isolated from Rheum palmatum (Chinese rhubarb). Glucorhein is found in green vegetables. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1]. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1].

   

Apigenin 7-glucuronide

(-)-Apigenin 7-O-beta-D-glucuronide

C21H18O11 (446.0849078)


Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

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

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

C21H18O11 (446.0849078)


   
   

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

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

C21H18O11 (446.0849078)


   

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

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

C21H18O11 (446.0849078)


   

Genistein 7-O-glucuronide

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

C21H18O11 (446.0849078)


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

   

Genistein 4'-O-glucuronide

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

C21H18O11 (446.0849078)


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

   

Genistein 5-O-glucuronide

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

C21H18O11 (446.0849078)


Genistein 5-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Apigenin 7-glucuronide

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

C21H18O11 (446.0849078)


Apigenin 7-o-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-o-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-o-glucuronide can be found in globe artichoke, which makes apigenin 7-o-glucuronide a potential biomarker for the consumption of this food product. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

Baicalin

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

C21H18O11 (446.0849078)


Baicalin is the glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. It has a role as a non-steroidal anti-inflammatory drug, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, a prodrug, a plant metabolite, a ferroptosis inhibitor, a neuroprotective agent, an antineoplastic agent, a cardioprotective agent, an antiatherosclerotic agent, an antioxidant, an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, an anticoronaviral agent and an antibacterial agent. It is a glucosiduronic acid, a glycosyloxyflavone, a dihydroxyflavone and a monosaccharide derivative. It is functionally related to a baicalein. It is a conjugate acid of a baicalin(1-). Baicalin is a natural product found in Scutellaria amoena, Thalictrum baicalense, and other organisms with data available. See also: Scutellaria baicalensis Root (part of). The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3]. Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3].

   

Norwogonin 8-glucuronide

Norwogonin 8-glucuronide

C21H18O11 (446.0849078)


   

Norwogonin 7-glucuronide

5,8-Dihydroxyflavon-7-yl beta-D-glucopyranosiduronic acid

C21H18O11 (446.0849078)


Glychionide A is a flavonoside that can be found in the roots of Glychirriza glabra. Glychionide A promotes apoptosis and autophagy of PANC-1 pancreatic cancer cells. Glychionide A can be used for the research of cancer[1][2].

   

5,7,2-Trihydroxyflavone 7-glucuronide

5,7,2-Trihydroxyflavone 7-glucuronide

C21H18O11 (446.0849078)


   

Baicalein 6-glucuronide

5,6,7-Trihydroxyflavone 6-glucuronide

C21H18O11 (446.0849078)


   

Apigenin 4-glucuronide

Apigenin 4-glucuronide

C21H18O11 (446.0849078)


   

Apigenin 7-galacturonide

5,7,4-Trihydroxyflavone 7-galacturonide

C21H18O11 (446.0849078)


   

Apigenin 7-O-beta-D-glucuronide

Apigenin 7-O-beta-D-glucuronide

C21H18O11 (446.0849078)


   

4-beta-D-Glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-carbonsaeure|4-beta-D-glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid|4-O-beta-D-Glucopyranosyl-rhein

4-beta-D-Glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-carbonsaeure|4-beta-D-glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid|4-O-beta-D-Glucopyranosyl-rhein

C21H18O11 (446.0849078)


   

rhein-11-O-beta-D-glucoside|Rhein-acyl-beta-D-glucopyranosid

rhein-11-O-beta-D-glucoside|Rhein-acyl-beta-D-glucopyranosid

C21H18O11 (446.0849078)


   

1,3,9-trihydroxycoumestan-1-O-beta-glucopyranoside|hedysarimcoumestan C

1,3,9-trihydroxycoumestan-1-O-beta-glucopyranoside|hedysarimcoumestan C

C21H18O11 (446.0849078)


   

apigenin 7-O-glucuronide|Scutellarein-7-O-beta-D-Glucuronid (Scutellarin)

apigenin 7-O-glucuronide|Scutellarein-7-O-beta-D-Glucuronid (Scutellarin)

C21H18O11 (446.0849078)


   

Luteolinidin 4-glucuronide

Luteolinidin 4-glucuronide

C21H18O11 (446.0849078)


   

Glychionide A

(2S,3S,4S,5R,6S)-6-((5,8-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C21H18O11 (446.0849078)


Glychionide A is a natural product found in Glycyrrhiza glabra with data available. See also: Glycyrrhiza Glabra (part of). Glychionide A is a flavonoside that can be found in the roots of Glychirriza glabra. Glychionide A promotes apoptosis and autophagy of PANC-1 pancreatic cancer cells. Glychionide A can be used for the research of cancer[1][2].

   

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

NCGC00169746-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00386028-01!(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

Apigenin 7-O-glucuronide

Apigenin 7-O-glucuronide

C21H18O11 (446.0849078)


Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

apigenin-7-o-glucuronide

apigenin-7-o-glucuronide

C21H18O11 (446.0849078)


   

Flavone base + 3O, O-HexA

Flavone base + 3O, O-HexA

C21H18O11 (446.0849078)


Annotation level-2

   

Apigenin 7-glucuronide

Apigenin 7-O-glucuronide

C21H18O11 (446.0849078)


Apigenin 7-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-glucuronide can be found in common sage and dill, which makes apigenin 7-glucuronide a potential biomarker for the consumption of these food products. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

Glucorein

4-hydroxy-9,10-dioxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid

C21H18O11 (446.0849078)


Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1]. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1].

   

Genistein 4'-O-glucuronide

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

C21H18O11 (446.0849078)


   

Genistein 5-O-glucuronide

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

C21H18O11 (446.0849078)


   

Genistein 7-O-glucuronide

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

C21H18O11 (446.0849078)


   

6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

4,5-dihydroxy-9,10-dioxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid

4,5-dihydroxy-9,10-dioxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid

C21H18O11 (446.0849078)


   

3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

C21H18O11 (446.0849078)


   

Ikiizlytispeni-yridssqksa-

Ikiizlytispeni-yridssqksa-

C21H18O11 (446.0849078)


   

(3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O11 (446.0849078)


   

Genistein 4-O-glucuronide

Genistein 4-O-glucuronide

C21H18O11 (446.0849078)