Exact Mass: 580.1733238

Exact Mass Matches: 580.1733238

Found 110 metabolites which its exact mass value is equals to given mass value 580.1733238, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Naringin

(2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

C27H32O14 (580.1791972)


Naringin, also known as naringoside or naringin hydrate, is a flavanone-7-O-glycoside between the flavanone naringenin and the disaccharide neohesperidose. Naringin belongs to the flavonoid family. Flavonoids consist of 15 carbon atoms in 3 rings, 2 of which must be benzene rings connected by a 3 carbon chain. Naringin contains the basic flavonoid structure along with one rhamnose and one glucose unit attached to its aglycone portion, called naringenin, at the 7-carbon position. The steric hindrance provided by the two sugar units makes naringin less potent than its aglycone counterpart, naringenin. Naringin is a bitter tasting compound. Naringin is found, on average, in the highest concentration within a few different foods, such as rosemaries, grapefruit/pummelo hybrids, and grapefruits and in a lower concentration in grape wines, pummelo, and beers. Naringin has also been detected, but not quantified in several different foods, such as citrus, limes, herbs and spices, common oregano, and mandarin orange (clementine, tangerine). Both naringin and hesperetin, which are the aglycones of naringin and hesperidin, occur naturally in citrus fruits. Naringin is the major flavonoid glycoside in grapefruit and gives grapefruit juice its bitter taste. Narinigin exerts a variety of pharmacological effects such as antioxidant activity, blood lipid-lowering, anticarcinogenic activity, and inhibition of selected cytochrome P450 enzymes including CYP3A4 and CYP1A2, which may result in several drug interactions in-vitro. Naringin is a disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite, an antineoplastic agent and an anti-inflammatory agent. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4-hydroxyflavanones, a (2S)-flavan-4-one and a neohesperidoside. It is functionally related to a (S)-naringenin. Naringin is a natural product found in Podocarpus fasciculus, Citrus latipes, and other organisms with data available. See also: Naringenin (related); Drynaria fortunei root (part of). A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. obtained from citrus fruits, Clymenia polyandra (clymenia) and Origanum vulgare (oregano) IPB_RECORD: 401; CONFIDENCE confident structure Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities. Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities.

   

Narirutin

(S)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one

C27H32O14 (580.1791972)


Narirutin is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It is functionally related to a (S)-naringenin. Narirutin is a natural product found in Cyclopia subternata, Citrus latipes, and other organisms with data available. See also: Tangerine peel (part of). obtained from Camellia sinensis (tea). Narirutin is found in many foods, some of which are lemon, globe artichoke, grapefruit, and grapefruit/pummelo hybrid. Narirutin is found in globe artichoke. Narirutin is obtained from Camellia sinensis (tea Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2]. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2].

   

Mulberrofuran C

[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone

C34H28O9 (580.1733238)


   

Cascaroside A

1-hydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one

C27H32O14 (580.1791972)


Cascaroside B is isolated from Rhamnus purshiana (Cascara sagrada) bar Isolated from Rhamnus purshiana (Cascara sagrada) bark

   
   

(S)-Naringenin 8-C-(2'-rhamnosylglucoside)

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C27H32O14 (580.1791972)


(S)-Naringenin 8-C-(2-rhamnosylglucoside) is found in fruits. (S)-Naringenin 8-C-(2-rhamnosylglucoside) is a constituent of Eriobotrya japonica (loquat) Constituent of Eriobotrya japonica (loquat). (S)-Naringenin 8-C-(2-rhamnosylglucoside) is found in fruits.

   

Albafuran C

(2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone

C34H28O9 (580.1733238)


Albafuran C is found in fruits. Albafuran C is a constituent of white mulberry bark Morus alba (famine food)

   

Glucoliquiritin

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

C27H32O14 (580.1791972)


Glucoliquiritin is found in herbs and spices. Glucoliquiritin is isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Liquiritin 7-glucoside is found in herbs and spices.

   

Natsudaidain 3-glucoside

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

C27H32O14 (580.1791972)


Natsudaidain 3-glucoside is found in citrus. Natsudaidain 3-glucoside is a constituent of Citrus species. Constituent of Citrus subspecies Natsudaidain 3-glucoside is found in citrus.

   

5'-Methoxycastavinol

1-[3,5-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethan-1-one

C27H32O14 (580.1791972)


5-Methoxycastavinol is found in alcoholic beverages. 5-Methoxycastavinol is isolated from a Bordeaux red win

   

Cascaroside F

1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one

C27H32O14 (580.1791972)


Cascaroside E is a constituent of cascara sagrada Rhamnus purshiana bark. Constituent of cascara sagrada Rhamnus purshiana bark

   

Nutlin-3

4-[4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one

C30H30Cl2N4O4 (580.1644)


Nutlin-3 is a commercial available p53-MDM2 inhibitor, with Ki of 90 nM.

   

Isosakuranetin 7-[arabinosyl-(1->6)-glucoside]

7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C27H32O14 (580.1791972)


Constituent of Punica granatum (pomegranate)[CCD]. Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] is found in pomegranate.

   

(2S)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside

(2S)-8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C27H32O14 (580.1791972)


(2s)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone (2s)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2s)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside can be found in loquat, which makes (2s)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.

   

5,7,4-Trihydroxyflavanone 4-O-rutinoside

5,7,4-Trihydroxyflavanone 4-O-rutinoside

C27H32O14 (580.1791972)


   

8-O-Acetyl-6-O-trans-p-coumaroylshanzhiside

8-O-Acetyl-6-O-trans-p-coumaroylshanzhiside

C27H32O14 (580.1791972)


   

2)-beta-D-glucopyranoside

(+)-(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1-

C27H32O14 (580.1791972)


   
   
   

Isoliquiritigenin 4,4-diglucoside

4,2,4-Trihydroxychalcone 4,4-diglucoside

C27H32O14 (580.1791972)


   

6)-beta-D-glucopyranoside

(-)-Quinquangulin 6-O-beta-D-apiofuranosyl(1-

C27H32O14 (580.1791972)


   
   

10-hydroxycascaroside C

(-)-10-Hydroxycascaroside C

C27H32O14 (580.1791972)


   

Naringenin 5-O-neohesperidoside

Naringenin 5-O-neohesperidoside

C27H32O14 (580.1791972)


   

4)-glucoside

Chalconaringenin 2-rhamnosyl-(1-

C27H32O14 (580.1791972)


   

6)-glucoside

5,7-Dihydroxy-4-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1-

C27H32O14 (580.1791972)


   
   
   

Naringin

(2S) -7- [ [ 2-O- (6-Deoxy-alpha-L-mannopyranosyl) -beta-D-glucopyranosyl ] oxy ] -2,3-dihydro-5-hydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C27H31HO14 (580.1791972)


Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities. Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities.

   

Narirutin

(S)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one

C27H32O14 (580.1791972)


Narirutin is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It is functionally related to a (S)-naringenin. Narirutin is a natural product found in Cyclopia subternata, Citrus latipes, and other organisms with data available. See also: Tangerine peel (part of). A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2]. Narirutin, one of the active constituents isolated from citrus fruits, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2].

   

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   
   

3,4,5,6,7,8-Hexa-Me ether,5-O-beta-D-glucopyranoside-3,4,5,5,6,7,8-Heptahdroxyflavone

3,4,5,6,7,8-Hexa-Me ether,5-O-beta-D-glucopyranoside-3,4,5,5,6,7,8-Heptahdroxyflavone

C27H32O14 (580.1791972)


   

(Z)-6-O-feruloylscandoside methyl ester

(Z)-6-O-feruloylscandoside methyl ester

C27H32O14 (580.1791972)


   
   
   

Hydroxysafflor Yellow A

Hydroxysafflor Yellow A

C27H32O14 (580.1791972)


   

Naringin

(2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone

C27H32O14 (580.1791972)


Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.745 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.739 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2201; CONFIDENCE confident structure Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities. Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities.

   
   

6-O-sinapoylgeniposide

6-O-sinapoylgeniposide

C27H32O14 (580.1791972)


   

O-Diglucoside-1,8-Dihydroxy-3-(hydromethyl)-9(10H)-anthracenone

O-Diglucoside-1,8-Dihydroxy-3-(hydromethyl)-9(10H)-anthracenone

C27H32O14 (580.1791972)


   

(1S,4aS,6S,7aS)-1,4a,5,6,7,7a-hexahydro--6-hydroxy-1-[(6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl)oxy]-7-methylideneclopenta[c]pyran-4-carboxylic acid|6-O-[(E)-sinapoyl]gardoside

(1S,4aS,6S,7aS)-1,4a,5,6,7,7a-hexahydro--6-hydroxy-1-[(6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl)oxy]-7-methylideneclopenta[c]pyran-4-carboxylic acid|6-O-[(E)-sinapoyl]gardoside

C27H32O14 (580.1791972)


   

Quinquangulin 6-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside

Quinquangulin 6-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside

C27H32O14 (580.1791972)


   

isovitexin 2-O-rhamnoside

isovitexin 2-O-rhamnoside

C27H32O14 (580.1791972)


   

2-O-acetyl-4-O-p-hydroxybenzoyl-p-hydroxyphenyl-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside|euphorbinoside

2-O-acetyl-4-O-p-hydroxybenzoyl-p-hydroxyphenyl-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside|euphorbinoside

C27H32O14 (580.1791972)


   

(E)-6-O-feruloylscandoside methyl ester

(E)-6-O-feruloylscandoside methyl ester

C27H32O14 (580.1791972)


   

Chalconaringenin 2-rhamnosyl-(1->4)-glucoside

Chalconaringenin 2-rhamnosyl-(1->4)-glucoside

C27H32O14 (580.1791972)


   

Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside

5,7-Dihydroxy-4-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside

C27H32O14 (580.1791972)


   
   

(3R)-hydrangenol 8,4-di-O-beta-D-glucopyranoside

(3R)-hydrangenol 8,4-di-O-beta-D-glucopyranoside

C27H32O14 (580.1791972)


   
   

Nutlin-3

Nutlin (3)

C30H30Cl2N4O4 (580.1644)


Nutlin-3 is a commercial available p53-MDM2 inhibitor, with Ki of 90 nM.

   
   

5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

NCGC00169359-03!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00380864-01!7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

NCGC00169359-04!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

C27H32O14 (580.1791972)


   

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one

NCGC00380866-01!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

Naringenin-7-O-neohesperidoside

Naringenin-7-O-neohesperidoside

C27H32O14 (580.1791972)


   

C27H32O14_(1S,4aS,6S,7aS)-6-Hydroxy-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

NCGC00385466-01_C27H32O14_(1S,4aS,6S,7aS)-6-Hydroxy-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

C27H32O14 (580.1791972)


   

7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

C27H32O14 (580.1791972)


   
   

Naringenin-7-O-rutinoside

Naringenin-7-O-rutinoside

C27H32O14 (580.1791972)


Annotation level-1

   
   

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]

NCGC00380866-01!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]

C27H32O14 (580.1791972)


   

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based on: CCMSLIB00000847537]

NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based on: CCMSLIB00000847537]

C27H32O14 (580.1791972)


   

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based: Match]

NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based: Match]

C27H32O14 (580.1791972)


   

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate_major

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate_major

C27H32O14 (580.1791972)


   

(+)-Nutlin-3

4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one

C30H30Cl2N4O4 (580.1644)


   

(-)-Nutlin-3

4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one

C30H30Cl2N4O4 (580.1644)


   

Nutlin (3)

()-4-[4,5-bis-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one

C30H30Cl2N4O4 (580.1644)


Nutlin-3 is a commercial available p53-MDM2 inhibitor, with Ki of 90 nM.

   

5'-Methoxycastavinol

1-[3,5-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-11-yl]ethan-1-one

C27H32O14 (580.1791972)


   

Albafuran C

4-{5-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-6-[(2,4-dihydroxyphenyl)carbonyl]-3-methylcyclohex-3-en-1-yl}benzene-1,3-diol

C34H28O9 (580.1733238)


   

(S)-Naringenin 8-C-(2''-rhamnosylglucoside)

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C27H32O14 (580.1791972)


   

Glucoliquiritin

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

C27H32O14 (580.1791972)


   

Natsudaidain 3-glucoside

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

C27H32O14 (580.1791972)


   

Cascaroside F

1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one

C27H32O14 (580.1791972)


   

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-?-L-mannopyranosyl)hexopyranoside

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-?-L-mannopyranosyl)hexopyranoside

C27H32O14 (580.1791972)


   

2-[(6-O-Benzoylhexopyranosyl)oxy]-5-hydroxybenzyl 1,2,3,6-tetrahydroxycyclohexanecarboxylate

2-[(6-O-Benzoylhexopyranosyl)oxy]-5-hydroxybenzyl 1,2,3,6-tetrahydroxycyclohexanecarboxylate

C27H32O14 (580.1791972)


   
   

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6 -O-(6-deoxyhexopyranosyl)hexopyranoside

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6 -O-(6-deoxyhexopyranosyl)hexopyranoside

C27H32O14 (580.1791972)


   

(2S,3R,4R,5R)-2,4-bis(benzoyloxy)-5-[(benzoyloxy)methyl]-3-methyloxolan-3-yl benzoate

(2S,3R,4R,5R)-2,4-bis(benzoyloxy)-5-[(benzoyloxy)methyl]-3-methyloxolan-3-yl benzoate

C34H28O9 (580.1733238)


   

Nutlin-3b

Nutlin-3b

C30H30Cl2N4O4 (580.1644)


Nutlin-3b is a p53/MDM2 inhibitor with an IC50 of 13.6 μM. Nutlin-3b is 150 times less potent in binding to MDM2 than Nutlin-3a[1].

   

Nutlin-3a

Nutlin-3a

C30H30Cl2N4O4 (580.1644)


C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent > C162996 - MDM2 Inhibitor Nutlin-3a (Rebemadlin), an active enantiomer of Nutlin-3, is a potent murine double minute (MDM2) inhibitor (IC50=90 nM). Nutlin-3a inhibits MDM2-p53?interactions and stabilizes the p53 protein, and induces cell autophagy and apoptosis. Nutlin-3a has the potential for the study of TP53?wild-type ovarian carcinomas[1][2].

   

(2R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-

C27H32O14 (580.1791972)


   

7-[[2-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

7-[[2-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

C27H32O14 (580.1791972)


   

Isosakuranetin 7-[arabinosyl-(1->6)-glucoside]

Isosakuranetin 7-[arabinosyl-(1->6)-glucoside]

C27H32O14 (580.1791972)


   

(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C27H32O14 (580.1791972)


   

locoracemoside B

locoracemoside B

C27H32O14 (580.1791972)


An O-acyl carbohydrate consisting of 6-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose attached to a 4-methoxybenzyl and a benzoyl group at positions 1 and 3 respectively. Isolated from Symplocos racemosa, it exhibits inhibitory activity against chymotrypsin.

   

5-Methoxycastavinol

5-Methoxycastavinol

C27H32O14 (580.1791972)


   

5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C27H32O14 (580.1791972)


   

(1S)-1alpha-[6-O-(3,5-Dimethoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyloxy]-6alpha-hydroxy-7-methylene-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid

(1S)-1alpha-[6-O-(3,5-Dimethoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyloxy]-6alpha-hydroxy-7-methylene-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid

C27H32O14 (580.1791972)


   

4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-

4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-

C27H32O14 (580.1791972)


   

(10R)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

(10R)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

C27H32O14 (580.1791972)


   

(10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

(10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

C27H32O14 (580.1791972)


   

(S)-Naringenin 8-C-(2-rhamnosylglucoside)

(S)-Naringenin 8-C-(2-rhamnosylglucoside)

C27H32O14 (580.1791972)


   
   

AVE 0991

AVE 0991

C29H32N4O5S2 (580.1814022)


AVE 0991 is a nonpeptide and orally active angiotensin-(1-7) receptor agonist with an IC50 of 21 nM[1].

   

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

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

C27H32O14 (580.1791972)


   

(1s,4as,5r,7s,7as)-7-(acetyloxy)-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

(1s,4as,5r,7s,7as)-7-(acetyloxy)-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C27H32O14 (580.1791972)


   

(1s,4as,6s,7as)-6-hydroxy-7-methylidene-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

(1s,4as,6s,7as)-6-hydroxy-7-methylidene-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C27H32O14 (580.1791972)


   

2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol

2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol

C34H28O9 (580.1733238)


   

(5-{[4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate

(5-{[4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate

C27H32O14 (580.1791972)


   

3,4-dimethoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one

3,4-dimethoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one

C27H32O14 (580.1791972)


   

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

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

C27H32O14 (580.1791972)


   

(2s)-5-hydroxy-2-({hydroxy[3,7,8,10-tetrahydroxy-2-(indol-3-ylidenemethyl)-9-methoxy-5h,6h-imidazo[2,1-a]isoquinolin-5-yl]methylidene}amino)-4-(hydroxymethyl)pentanoic acid

(2s)-5-hydroxy-2-({hydroxy[3,7,8,10-tetrahydroxy-2-(indol-3-ylidenemethyl)-9-methoxy-5h,6h-imidazo[2,1-a]isoquinolin-5-yl]methylidene}amino)-4-(hydroxymethyl)pentanoic acid

C28H28N4O10 (580.1805348)


   

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

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

C27H32O14 (580.1791972)