Exact Mass: 482.1124

Exact Mass Matches: 482.1124

Found 153 metabolites which its exact mass value is equals to given mass value 482.1124, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Silicristin

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

C25H22O10 (482.1213)


Silychristin is a flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase. It has a role as a radical scavenger, a lipoxygenase inhibitor, a prostaglandin antagonist and a metabolite. It is a flavonolignan, a member of 1-benzofurans, a polyphenol, an aromatic ether and a secondary alpha-hydroxy ketone. Silicristin is a natural product found in Cunila, Anastatica hierochuntica, and other organisms with data available. Isolated from fruits of Silybum marianum (milk thistle). Silicristin is found in coffee and coffee products and green vegetables. Silicristin is found in coffee and coffee products. Silicristin is isolated from fruits of Silybum marianum (milk thistle). C26170 - Protective Agent > C2081 - Hepatoprotective Agent Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2]. Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2].

   

Silibinin

Silybin B, 2-(2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one

C25H22O10 (482.1213)


A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy Silibinin is found in coffee and coffee products. Silibinin is isolated from Silybum marianum (milk thistle D020011 - Protective Agents > D000975 - Antioxidants [Raw Data] CBA85_Silybin-B_pos_30eV.txt [Raw Data] CBA85_Silybin-B_neg_30eV.txt [Raw Data] CBA85_Silybin-B_pos_50eV.txt [Raw Data] CBA85_Silybin-B_pos_20eV.txt [Raw Data] CBA85_Silybin-B_pos_40eV.txt [Raw Data] CBA85_Silybin-B_pos_10eV.txt [Raw Data] CBA85_Silybin-B_neg_40eV.txt [Raw Data] CBA85_Silybin-B_neg_10eV.txt [Raw Data] CBA85_Silybin-B_neg_50eV.txt [Raw Data] CBA85_Silybin-B_neg_20eV.txt Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration.

   

Isosilybin

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

C25H22O10 (482.1213)


Constituent of Silybum marianum (milk thistle). Isosilybin is found in coffee and coffee products and green vegetables. Isosilybin is found in coffee and coffee products. Isosilybin is a constituent of Silybum marianum (milk thistle) Isosilybin is a natural product found in Silybum with data available. [Raw Data] CBA83_Isosilybin-B_pos_20eV.txt [Raw Data] CBA83_Isosilybin-B_neg_30eV.txt [Raw Data] CBA83_Isosilybin-B_neg_20eV.txt [Raw Data] CBA83_Isosilybin-B_pos_10eV.txt [Raw Data] CBA83_Isosilybin-B_pos_40eV.txt [Raw Data] CBA83_Isosilybin-B_neg_10eV.txt [Raw Data] CBA83_Isosilybin-B_pos_50eV.txt [Raw Data] CBA83_Isosilybin-B_pos_30eV.txt [Raw Data] CBA83_Isosilybin-B_neg_50eV.txt [Raw Data] CBA83_Isosilybin-B_neg_40eV.txt Isosilybin (Isosilybinin) is a flavonoid from Silybum marianum; inhibits CYP3A4 induction with an IC50 of 74 μM. Isosilybin (Isosilybinin) is a flavonoid from Silybum marianum; inhibits CYP3A4 induction with an IC50 of 74 μM.

   

3'-(2'-Galloylglucosyl)-phloroacetophenone

2-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid

C21H22O13 (482.106)


3-(2-Galloylglucosyl)-phloroacetophenone is found in herbs and spices. 3-(2-Galloylglucosyl)-phloroacetophenone is a constituent of Syzygium aromaticum (clove). Constituent of Syzygium aromaticum (clove). 3-(2-Galloylglucosyl)-phloroacetophenone is found in herbs and spices.

   

Isosilychristin

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

C25H22O10 (482.1213)


Constituent of Silybum marianum (milk thistle). Isosilychristin is found in coffee and coffee products and green vegetables. Isosilychristin is found in coffee and coffee products. Isosilychristin is a constituent of Silybum marianum (milk thistle).

   

3'-(6'-Galloylglucosyl)-phloroacetophenone

[6-(3-Acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C21H22O13 (482.106)


3-(6-Galloylglucosyl)-phloroacetophenone is found in herbs and spices. 3-(6-Galloylglucosyl)-phloroacetophenone is a constituent of Syzygium aromaticum (clove). Constituent of Syzygium aromaticum (clove). 3-(6-Galloylglucosyl)-phloroacetophenone is found in herbs and spices.

   

(-)-Epigallocatechin 3'-glucuronide

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

C21H22O13 (482.106)


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

   

(-)-Epigallocatechin 3-glucuronide

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

C21H22O13 (482.106)


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

   

(-)-Epigallocatechin 7-glucuronide

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

C21H22O13 (482.106)


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

   

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

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

C25H22O10 (482.1213)


   

Silibinin

4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2R-(2-alpha,3-beta,6(2R*,3R*)))-

C25H22O10 (482.1213)


Silibinin is a flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. It has a role as an antioxidant, an antineoplastic agent, a hepatoprotective agent and a plant metabolite. It is a flavonolignan, a polyphenol, an aromatic ether, a benzodioxine and a secondary alpha-hydroxy ketone. Silibinin is the major active constituent of silymarin, a standardized extract of the milk thistle seeds, containing a mixture of flavonolignans consisting of silibinin, isosilibinin, silicristin, silidianin and others. Silibinin is presented as a mixture of two diastereomers, silybin A and silybin B, which are found in an approximately equimolar ratio. Both in vitro and animal research suggest that silibinin has hepatoprotective (antihepatotoxic) properties that protect liver cells against toxins. Silibinin has also demonstrated in vitro anti-cancer effects against human prostate adenocarcinoma cells, estrogen-dependent and -independent human breast carcinoma cells, human ectocervical carcinoma cells, human colon cancer cells, and both small and nonsmall human lung carcinoma cells. Silibinin is a natural product found in Aspergillus iizukae, Asteraceae, and other organisms with data available. Silymarin is a mixture of flavonolignans isolated from the milk thistle plant Silybum marianum. Silymarin may act as an antioxidant, protecting hepatic cells from chemotherapy-related free radical damage. This agent may also promote the growth of new hepatic cells. (NCI04) The major active component of silymarin flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum; it is used in the treatment of HEPATITIS; LIVER CIRRHOSIS; and CHEMICAL AND DRUG INDUCED LIVER INJURY, and has antineoplastic activity; silybins A and B are diastereomers. A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy D000970 - Antineoplastic Agents D020011 - Protective Agents (±)-Silybin is the racemate of Silybin (HY-N0779A). Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration.

   

Silidianin

(3R,8R) -2,3,3abeta,7a-Tetrahydro-7abeta-hydroxy-8- (4-hydroxy-3-methoxyphenyl) -4- [ (2R,3R) -3,5,7-trihydroxy-3,4-dihydro-4-oxo-2H-1-benzopyran-2-yl ] -3alpha,6alpha-methanobenzofuran-7 (6H) -one

C25H22O10 (482.1213)


Silidianin is a natural product found in Silybum eburneum and Silybum marianum with data available. C26170 - Protective Agent > C2081 - Hepatoprotective Agent Silydianin is an active constituent of Silybium marianum, with exhibit anti-collagenase, antitumor and anti-elastase activities. Silydianin is a natural protein tyrosine phosphatase 1B (PTP1B) with an IC50 of 17.38?μM. Silydianin has inhibitory effect on the in vitro production and release of oxidative products[1][2][3]. Silydianin is an active constituent of Silybium marianum, with exhibit anti-collagenase, antitumor and anti-elastase activities. Silydianin is a natural protein tyrosine phosphatase 1B (PTP1B) with an IC50 of 17.38?μM. Silydianin has inhibitory effect on the in vitro production and release of oxidative products[1][2][3].

   

Ampelopsin 7-glucoside

Ampelopsin 7-glucoside

C21H22O13 (482.106)


   
   

Ampelopsin 3-glucoside

3,5,7,3,4,5-Hexahydroxyflavanone 3-glucoside

C21H22O13 (482.106)


   

Hyperielliptone HC

Hyperielliptone HC

C25H22O10 (482.1213)


   
   

Catiguanin B

Catiguanin B

C25H22O10 (482.1213)


An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthene substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy groups at positions 3, 5, 9 and 10 and a 2-methoxy-2-oxoethyl group at position 12 (the 2R,3R,12S stereoisomer). It is isolated from the barks of Trichilia catigua and exhibits antioxidant activity.

   
   
   

3,4,2,3,4,6,alpha-Heptahydroxychalcone 2-glucoside

3,4,2,3,4,6,alpha-Heptahydroxychalcone 2-glucoside

C21H22O13 (482.106)


   

Granatumflavanyl xyloside

Granatumflavanyl xyloside

C21H22O13 (482.106)


   

Isosilybin

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

C25H22O10 (482.1213)


A flavonolignan isolated from Silybum marianum. Isosilybin (Isosilybinin) is a flavonoid from Silybum marianum; inhibits CYP3A4 induction with an IC50 of 74 μM. Isosilybin (Isosilybinin) is a flavonoid from Silybum marianum; inhibits CYP3A4 induction with an IC50 of 74 μM.

   

Isosilychristin

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

C25H22O10 (482.1213)


   

silybin

(2R) -2alpha- [ [ (2R,3R) -2,3-Dihydro-3beta- (4-hydroxy-3-methoxyphenyl) -2alpha- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one

C25H22O10 (482.1213)


Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration.

   

Silycristin

(2R,3R)-2- [(2R,3S)-2,3-Dihydro-7-hydroxy-2- (4-hydroxy-3-methoxyphenyl) -3-(hydroxymethyl)-5-benzofuranyl] -2,3-dihydro-3,5,7-trihydroxy- 4H-1-benzopyran-4-one

C25H22O10 (482.1213)


Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2]. Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2].

   

calophyllumin B

calophyllumin B

C25H22O10 (482.1213)


   
   

(-)-epigallocatechin 3-O-beta-D-glucopyranoside

(-)-epigallocatechin 3-O-beta-D-glucopyranoside

C21H22O13 (482.106)


   

dihydromyricetin-7-O-glucoside

dihydromyricetin-7-O-glucoside

C21H22O13 (482.106)


   

2-O-Methylgyrophoric acid

2-O-Methylgyrophoric acid

C25H22O10 (482.1213)


   

5,6,7,8,2,5-hexahydroxy-4-methoxyflavanone-beta-D-xylopyranoside

5,6,7,8,2,5-hexahydroxy-4-methoxyflavanone-beta-D-xylopyranoside

C21H22O13 (482.106)


   

myrciaphenone B|myrciaphenone-B

myrciaphenone B|myrciaphenone-B

C21H22O13 (482.106)


   

Umbilicaric acid

Umbilicaric acid

C25H22O10 (482.1213)


   
   

pterospermin A

pterospermin A

C25H22O10 (482.1213)


   
   

5-O-(6-galloyl)-beta-D-glucopyranosyl methyl gentisate|rubrumoside B

5-O-(6-galloyl)-beta-D-glucopyranosyl methyl gentisate|rubrumoside B

C21H22O13 (482.106)


   

taxifolin 6-C-beta-D-glucopyranoside

taxifolin 6-C-beta-D-glucopyranoside

C21H22O13 (482.106)


   

glucopyranosyl 2-O-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenylacetate

glucopyranosyl 2-O-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenylacetate

C21H22O13 (482.106)


   
   
   

SCHEMBL1684251

SCHEMBL1684251

C25H22O10 (482.1213)


   

Methyl gyrophorate

Methyl gyrophorate

C25H22O10 (482.1213)


   

Silybin B2

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

C25H22O10 (482.1213)


Isosilybin A is a natural product found in Aspergillus iizukae, Anastatica hierochuntica, and Silybum marianum with data available. See also: Milk Thistle (part of). Isosilybin A, a flavonolignan isolated from silymarin, has anti-prostate cancer (PCA) activity. Isosilybin A inhibits proliferation and induces G1 phase arrest and apoptosis in cancer cells, which activates apoptotic machinery in PCA cells via targeting Akt-NF-κB-androgen receptor (AR) axis[1][2]. Isosilybin A, a flavonolignan isolated from silymarin, has anti-prostate cancer (PCA) activity. Isosilybin A inhibits proliferation and induces G1 phase arrest and apoptosis in cancer cells, which activates apoptotic machinery in PCA cells via targeting Akt-NF-κB-androgen receptor (AR) axis[1][2].

   

Silybin A2

4H-1-Benzopyran-4-one, 2-((2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-

C25H22O10 (482.1213)


Isosilybin B is a natural product found in Anastatica hierochuntica and Silybum marianum with data available. See also: Milk Thistle (part of).

   

Lagosa

4H-1-BENZOPYRAN-4-ONE, 2-((2S,3S)-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-2-(HYDROXYMETHYL)-1,4-BENZODIOXIN-6-YL)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-, (2R,3R)-

C25H22O10 (482.1213)


Silibinin B is a natural product found in Nymphaea alba, Aspergillus iizukae, and other organisms with data available. The major active component of silymarin flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum; it is used in the treatment of HEPATITIS; LIVER CIRRHOSIS; and CHEMICAL AND DRUG INDUCED LIVER INJURY, and has antineoplastic activity; silybins A and B are diastereomers. See also: Milk Thistle (part of).

   

Milk Thistle Extract

Milk Thistle Extract

C25H22O10 (482.1213)


A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy D020011 - Protective Agents > D000975 - Antioxidants (±)-Silybin is the racemate of Silybin (HY-N0779A). Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2]. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration. Silybin A (Silibinin A), an effective anti-cancer and chemopreventive agent, has been shown to exert multiple effects on cancer cells, including inhibition of both cell proliferation and migration.

   

Silicristin

Silychristin A

C25H22O10 (482.1213)


Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2]. Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2].

   

NCGC00170023-02!

NCGC00170023-02!

C25H22O10 (482.1213)


   

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

NCGC00091057-07!(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

C25H22O10 (482.1213)


   

Silychrystin

Silychrystin

C25H22O10 (482.1213)


Annotation level-1

   

Isosilybin A

Isosilybin A

C25H22O10 (482.1213)


[Raw Data] CBA86_Isosilybin-A_neg_50eV.txt [Raw Data] CBA86_Isosilybin-A_neg_40eV.txt [Raw Data] CBA86_Isosilybin-A_neg_30eV.txt [Raw Data] CBA86_Isosilybin-A_neg_20eV.txt [Raw Data] CBA86_Isosilybin-A_neg_10eV.txt [Raw Data] CBA86_Isosilybin-A_pos_50eV.txt [Raw Data] CBA86_Isosilybin-A_pos_40eV.txt [Raw Data] CBA86_Isosilybin-A_pos_30eV.txt [Raw Data] CBA86_Isosilybin-A_pos_20eV.txt [Raw Data] CBA86_Isosilybin-A_pos_10eV.txt Isosilybin A, a flavonolignan isolated from silymarin, has anti-prostate cancer (PCA) activity. Isosilybin A inhibits proliferation and induces G1 phase arrest and apoptosis in cancer cells, which activates apoptotic machinery in PCA cells via targeting Akt-NF-κB-androgen receptor (AR) axis[1][2]. Isosilybin A, a flavonolignan isolated from silymarin, has anti-prostate cancer (PCA) activity. Isosilybin A inhibits proliferation and induces G1 phase arrest and apoptosis in cancer cells, which activates apoptotic machinery in PCA cells via targeting Akt-NF-κB-androgen receptor (AR) axis[1][2].

   
   
   

Cys Cys Glu Glu

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

C16H26N4O9S2 (482.1141)


   

Cys Asp Asp Met

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

C16H26N4O9S2 (482.1141)


   

Cys Asp Met Asp

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

C16H26N4O9S2 (482.1141)


   

Cys Glu Cys Glu

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

C16H26N4O9S2 (482.1141)


   

Cys Glu Glu Cys

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

C16H26N4O9S2 (482.1141)


   

Cys Met Asp Asp

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

C16H26N4O9S2 (482.1141)


   

Asp Cys Asp Met

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

C16H26N4O9S2 (482.1141)


   

Asp Cys Met Asp

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

C16H26N4O9S2 (482.1141)


   

Asp Asp Cys Met

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

C16H26N4O9S2 (482.1141)


   

Asp Asp Met Cys

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

C16H26N4O9S2 (482.1141)


   

Asp Met Cys Asp

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

C16H26N4O9S2 (482.1141)


   

Asp Met Asp Cys

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

C16H26N4O9S2 (482.1141)


   

Glu Cys Cys Glu

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

C16H26N4O9S2 (482.1141)


   

Glu Cys Glu Cys

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

C16H26N4O9S2 (482.1141)


   

Glu Glu Cys Cys

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

C16H26N4O9S2 (482.1141)


   

Met Cys Asp Asp

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

C16H26N4O9S2 (482.1141)


   

Met Asp Cys Asp

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

C16H26N4O9S2 (482.1141)


   

Met Asp Asp Cys

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

C16H26N4O9S2 (482.1141)


   

3'-(2''-Galloylglucosyl)-phloroacetophenone

2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

3'-(6''-Galloylglucosyl)-phloroacetophenone

[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

(-)-Epigallocatechin 3'-glucuronide

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

C21H22O13 (482.106)


   

(-)-Epigallocatechin 3-glucuronide

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

C21H22O13 (482.106)


   

(-)-Epigallocatechin 7-glucuronide

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

C21H22O13 (482.106)


   

Silychristin B

Silychristin B

C25H22O10 (482.1213)


   
   

Raltegravir potassium

Raltegravir (potassium salt)

C20H20FKN6O5 (482.1116)


D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent

   

7,7-Dibromo-3,3,5,5-tetramethyl-1,1-biadamantane

7,7-Dibromo-3,3,5,5-tetramethyl-1,1-biadamantane

C24H36Br2 (482.1184)


   

Epigallocatechin-7-glucuronide

Epigallocatechin-7-glucuronide

C21H22O13 (482.106)


   

Epigallocatechin-3-glucuronide

Epigallocatechin-3-glucuronide

C21H22O13 (482.106)


   

Lactucopicrin 15-oxalate

Lactucopicrin 15-oxalate

C25H22O10 (482.1213)


A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucopicrin. Found in chicory.

   

Roseoflavin 5-phosphate

Roseoflavin 5-phosphate

C18H21N5O9P-3 (482.1077)


   

3-(O-beta-glucosyl)-dioxindole-3-acetyl-aspartic acid

3-(O-beta-glucosyl)-dioxindole-3-acetyl-aspartic acid

C20H22N2O12-2 (482.1173)


   

catiguanin A

catiguanin A

C25H22O10 (482.1213)


An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthene substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy groups at positions 3, 5, 9 and 10 and a 2-methoxy-2-oxoethyl group at position 12 (the 2R,3R,12R stereoisomer). It is isolated from the barks of Trichilia catigua and exhibits antioxidant activity.

   

Epigallocatechin-3-O-ferulate

Epigallocatechin-3-O-ferulate

C25H22O10 (482.1213)


A natural product found in Parapiptadenia rigida.

   

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzenesulfonamide

C22H22N6O3S2 (482.1195)


   

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

C23H19FN4O5S (482.106)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2S,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3R,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3R,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(2R,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

C21H24Cl2N4O5 (482.1124)


   

Silychristin

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

C25H22O10 (482.1213)


A flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase. Silychristin is a flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase. It has a role as a radical scavenger, a lipoxygenase inhibitor, a prostaglandin antagonist and a metabolite. It is a flavonolignan, a member of 1-benzofurans, a polyphenol, an aromatic ether and a secondary alpha-hydroxy ketone. Silicristin is a natural product found in Cunila, Anastatica hierochuntica, and other organisms with data available. C26170 - Protective Agent > C2081 - Hepatoprotective Agent Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2]. Silychristin is an abundant flavonolignan present in the fruits of Silybum marianum, with antioxidant properties. Silychristin is a potent inhibitor of the thyroid hormone transporter MCT8, and elicits a strong inhibition of T3 uptake with an IC50 of 110 nM[1][2].

   

3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one

3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one

C25H22O10 (482.1213)


   

3-(2-Galloylglucosyl)-phloroacetophenone

3-(2-Galloylglucosyl)-phloroacetophenone

C21H22O13 (482.106)


   

3-(6-Galloylglucosyl)-phloroacetophenone

3-(6-Galloylglucosyl)-phloroacetophenone

C21H22O13 (482.106)


   

2-(2,5-dihydroxy-4-methoxyphenyl)-5,6,8-trihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one

2-(2,5-dihydroxy-4-methoxyphenyl)-5,6,8-trihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(1r,3r,6s,7r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

(1r,3r,6s,7r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

methyl 2-[(2s,3s,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

methyl 2-[(2s,3s,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

C25H22O10 (482.1213)


   

methyl 2-[(2s,3s,12r)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

methyl 2-[(2s,3s,12r)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

C25H22O10 (482.1213)


   

9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

(2s)-2-(2,5-dihydroxy-4-methoxyphenyl)-5,6,8-trihydroxy-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

(2s)-2-(2,5-dihydroxy-4-methoxyphenyl)-5,6,8-trihydroxy-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

3,5-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

3,5-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(2s,3r)-3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

(2s,3r)-3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

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

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

C25H22O10 (482.1213)


   

(2r,3r,4r,5r)-4,5,6-trihydroxy-1-oxo-2-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]hexan-3-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5r)-4,5,6-trihydroxy-1-oxo-2-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]hexan-3-yl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-4-(methoxycarbonyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-4-(methoxycarbonyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(2r,3r)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

(2s,3r)-2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

(2s,3r)-2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C16H26N4O9S2 (482.1141)


   

2-hydroxy-4-[2-hydroxy-4-(4-hydroxy-2-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid

2-hydroxy-4-[2-hydroxy-4-(4-hydroxy-2-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

4-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-methoxy-6-methylbenzoyloxy]-2-hydroxy-6-methylbenzoic acid

4-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-methoxy-6-methylbenzoyloxy]-2-hydroxy-6-methylbenzoic acid

C25H22O10 (482.1213)


   

(2r,3r)-2,8-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-3-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

(2r,3r)-2,8-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-3-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

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

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

C25H22O10 (482.1213)


   

methyl 4-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoyloxy]-2-hydroxy-6-methylbenzoate

methyl 4-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoyloxy]-2-hydroxy-6-methylbenzoate

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

[(2r,3s,4s,5r,6s)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

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

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

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

(1r,3r,6r,7r,10r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

(1r,3r,6r,7r,10r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

C25H22O10 (482.1213)


   

3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

C25H22O10 (482.1213)


   

(2r,3r)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

(1r,3s,6r,7s,10r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2r,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

(1r,3s,6r,7s,10r)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2r,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-2-one

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

(2r,3s)-5,7-dihydroxy-3-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

(2r,3s)-5,7-dihydroxy-3-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

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

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

C25H22O10 (482.1213)


   

[6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H22O13 (482.106)


   

(2s,3r)-5,7-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

(2s,3r)-5,7-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

2,8-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

2,8-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(2s,3s)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

(2r,3r)-2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

(2r,3r)-2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one

C21H22O13 (482.106)


   

(2s,3s)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

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

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

C25H22O10 (482.1213)


   

2-amino-4-{[1-({1-carboxy-3-[(1-carboxy-2-sulfanylethyl)-c-hydroxycarbonimidoyl]propyl}-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

2-amino-4-{[1-({1-carboxy-3-[(1-carboxy-2-sulfanylethyl)-c-hydroxycarbonimidoyl]propyl}-c-hydroxycarbonimidoyl)-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C16H26N4O9S2 (482.1141)


   

2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid

2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid

C25H22O10 (482.1213)


   

(2r,3r)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-9-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C25H22O10 (482.1213)


   

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C25H22O10 (482.1213)


   

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetate

C25H22O10 (482.1213)