Exact Mass: 580.2003256

Exact Mass Matches: 580.2003256

Found 332 metabolites which its exact mass value is equals to given mass value 580.2003256, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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].

   

(+)-7-epi-Syringaresinol 4'-glucoside

2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


(+)-7-epi-Syringaresinol 4-glucoside is found in tea. (+)-7-epi-Syringaresinol 4-glucoside is a constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). Constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). (+)-7-epi-Syringaresinol 4-glucoside is found in tea. Acanthoside B is a potential bioactive lignan with anti-inflammatory and anti-amnesic activities. Acanthoside B can be used for alzheimer's disease and lung inflammation research[1] Acanthoside B is a potential bioactive lignan with anti-inflammatory and anti-amnesic activities. Acanthoside B can be used for alzheimer's disease and lung inflammation research[1]

   

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

   
   

Gambiriin A1

2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C30H28O12 (580.1580688)


Gambiriin A1 is found in herbs and spices. Gambiriin A1 is isolated from Sanguisorba officinalis (burnet bloodwort). Isolated from Sanguisorba officinalis (burnet bloodwort). Gambiriin A1 is found in tea and herbs and spices.

   
   
   

(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)

   

6'-p-Coumaroylprunin

(3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C30H28O12 (580.1580688)


6-p-Coumaroylprunin is found in cashew nut. 6-p-Coumaroylprunin is isolated from Anacardium occidentale (cashew). Isolated from Anacardium occidentale (cashew). Prunin 6-p-coumarate is found in cashew nut and nuts.

   

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.

   

biliverdin-IX-alpha

3-(2-{[3-(2-carboxylatoethyl)-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl)propanoic acid

C33H32N4O6 (580.2321732)


Biliverdin-ix-alpha is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Biliverdin-ix-alpha can be found in a number of food items such as pineappple sage, potato, pitanga, and kumquat, which makes biliverdin-ix-alpha a potential biomarker for the consumption of these food products.

   

Episyringaresinol 4-O-beta-D-glncopyranoside

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


Episyringaresinol 4-O-beta-D-glncopyranoside is a natural product found in Salacia chinensis, Dalbergia sissoo, and other organisms with data available. Episyringaresinol 4'-O-β-D-glncopyranoside (compound 22), isolated from Alhagi sparsifolia Shap, is a natural potential neuroinflammatory inhibitor[1]. Episyringaresinol 4'-O-β-D-glncopyranoside (compound 22), isolated from Alhagi sparsifolia Shap, is a natural potential neuroinflammatory inhibitor[1].

   

4,2,3,4-Tetrahydroxychalcone 4-O-(6-O-p-coumaroyl)glucoside

4,2,3,4-Tetrahydroxychalcone 4-O-(6-O-p-coumaroyl)glucoside

C30H28O12 (580.1580688)


   

4,2,3,4-Tetrahydroxychalcone 4-O-(2-O-p-coumaroyl)glucoside

4,2,3,4-Tetrahydroxychalcone 4-O- (2"-O-p-coumaroyl) glucoside

C30H28O12 (580.1580688)


   
   

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)


   

Taxifolin 3-(3-cinnamoylrhamnoside)

3,5,7,3,4-Pentahydroxyflavanone 3- (3-cinnamoylrhamnoside)

C30H28O12 (580.1580688)


   

Prunin 3-p-coumarate

Prunin 3-p-coumarate

C30H28O12 (580.1580688)


   

Chalconaringenin 2-(6-p-coumarylglucoside)

Chalconaringenin 2-(6-p-coumarylglucoside)

C30H28O12 (580.1580688)


   

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 7-(2-p-Coumaroylglucoside)

5,7,4-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside)

C30H28O12 (580.1580688)


   

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)


   
   
   
   
   
   
   

6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-7,8,3,4-tetrahydroxyflavan

6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-7,8,3,4-tetrahydroxyflavan

C30H28O12 (580.1580688)


   

Cytonic acid A

Cytonic acid A

C32H36O10 (580.2308356)


A benzoate ester obtained by the formal condensation of the hydroxy group at position 4 of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the carboxy group of 2,4-dihydroxy-6-pentylbenzoic acid (olivetolic acid). It is isolated from the endophytic fungi Cytonaema and acts as an inhibitor of human cytomegalovirus (hCMV) protease.

   

Cytonic acid B

Cytonic acid B

C32H36O10 (580.2308356)


A benzoate ester obtained by the formal condensation of the carboxy group of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-pentylbenzoic acid (olivetolic acid). It is isolated from the endophytic fungi Cytonaema and acts as an inhibitor of human cytomegalovirus (hCMV) protease.

   
   

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].

   

Prunin 6'-p-coumarate

5,7,4-Trihydroxyflavanone 7-O-glucoside-6"-p-coumarate

C30H28O12 (580.1580688)


   

(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)


   
   

2-O-??-D-Glucopyranosyl-6-O-??-D-xylopyranosylsalicin

2-O-??-D-Glucopyranosyl-6-O-??-D-xylopyranosylsalicin

C24H36O16 (580.2003256)


   
   
   

leufolin A|{6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}methyl (E)-3-(4-hydroxyphenyl)-2-propenoate

leufolin A|{6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}methyl (E)-3-(4-hydroxyphenyl)-2-propenoate

C30H28O12 (580.1580688)


   

6-trans-p-coumaroyl-(2S)-naringenin-5-O-beta-D-glucoside

6-trans-p-coumaroyl-(2S)-naringenin-5-O-beta-D-glucoside

C30H28O12 (580.1580688)


   

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)


   
   

ethyl lithospermate

ethyl lithospermate

C30H28O12 (580.1580688)


   

6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

C30H28O12 (580.1580688)


   
   

(2S)-eriodictyol 7-O-(2-O-trans-cinnamoyl)-beta-D-glucopyranoside|visartiside A

(2S)-eriodictyol 7-O-(2-O-trans-cinnamoyl)-beta-D-glucopyranoside|visartiside A

C30H28O12 (580.1580688)


   
   

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)


   

(1S*,2R*,3R*,4S*,5Z,7S*,8S*,9S*,10S*,11S*,12R*,13Z,17R*)-2,3,4,9-tetraacetoxy-8,17-epoxy-11,12-dihydroxybriara-5,13-dien-18-one

(1S*,2R*,3R*,4S*,5Z,7S*,8S*,9S*,10S*,11S*,12R*,13Z,17R*)-2,3,4,9-tetraacetoxy-8,17-epoxy-11,12-dihydroxybriara-5,13-dien-18-one

C28H36O13 (580.2155806000001)


   
   
   

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)


   
   
   

Thielavin B methyl ester

Thielavin B methyl ester

C32H36O10 (580.2308356)


   
   

isovitexin 2-O-rhamnoside

isovitexin 2-O-rhamnoside

C27H32O14 (580.1791972)


   

(8S,8S)-8-hydroxy-3,3,4,5-tertramethoxylignan-9,9-olide-4-O-beta-D-glucopyranoside|5-methoxytracheloside

(8S,8S)-8-hydroxy-3,3,4,5-tertramethoxylignan-9,9-olide-4-O-beta-D-glucopyranoside|5-methoxytracheloside

C28H36O13 (580.2155806000001)


   

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)


   
   

(1S,4R,5S,6R,7R,8S,9R,10S)-1,8-diacetoxy-6,9-dibenzoyloxydihydro-beta-agarofuran

(1S,4R,5S,6R,7R,8S,9R,10S)-1,8-diacetoxy-6,9-dibenzoyloxydihydro-beta-agarofuran

C32H36O10 (580.2308356)


   

(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)


   

heteroclitalignan A

heteroclitalignan A

C31H32O11 (580.1944522)


   

3-Methoxy-1, 1-[[2, 4-Bis(6-methoxy-1, 3-benzodioxol-5-yl)-1, 3-cyclobutanediyl]dicarbonyl]bispyrrolidine, 9CI

3-Methoxy-1, 1-[[2, 4-Bis(6-methoxy-1, 3-benzodioxol-5-yl)-1, 3-cyclobutanediyl]dicarbonyl]bispyrrolidine, 9CI

C31H36N2O9 (580.2420686)


   

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)


   

4alpha-Hydroxy-Rhododactynaphin

4alpha-Hydroxy-Rhododactynaphin

C30H28O12 (580.1580688)


   

(2S)-eriodictyol 7-O-(6-O-trans-cinnamoyl)-beta-D-glucopyranoside|visartiside B

(2S)-eriodictyol 7-O-(6-O-trans-cinnamoyl)-beta-D-glucopyranoside|visartiside B

C30H28O12 (580.1580688)


   
   

furan-3-carboxylic acid rel-(3R,4S,5R,5aR,6S,7R,9R,9aS)-4,6,7-Tris(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ster

furan-3-carboxylic acid rel-(3R,4S,5R,5aR,6S,7R,9R,9aS)-4,6,7-Tris(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ster

C28H36O13 (580.2155806000001)


   

8-(beta-D-olivosyl-1,4-beta-D-olivosyl)-5,6-anhydrolandomycinone|landomycin R

8-(beta-D-olivosyl-1,4-beta-D-olivosyl)-5,6-anhydrolandomycinone|landomycin R

C31H32O11 (580.1944522)


   

His Phe Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Nutlin-3

Nutlin (3)

C30H30Cl2N4O4 (580.1644)


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

   

guaiacol 2-O-beta-D-glucopyranosyl-(1 -> 2)-[O-beta-D-xylopyranosyl-(1 -> 6)]-O-beta-D-glucopyranoside

guaiacol 2-O-beta-D-glucopyranosyl-(1 -> 2)-[O-beta-D-xylopyranosyl-(1 -> 6)]-O-beta-D-glucopyranoside

C24H36O16 (580.2003256)


   

Pseudolaric acid C2-O-β-D-glucoside

Pseudolaric acid C2-O-β-D-glucoside

C28H36O13 (580.2155806000001)


   

Episyringaresinol 4-O-β-D-glncopyranoside

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


Episyringaresinol 4-O-beta-D-glncopyranoside is a natural product found in Salacia chinensis, Dalbergia sissoo, and other organisms with data available. Episyringaresinol 4'-O-β-D-glncopyranoside (compound 22), isolated from Alhagi sparsifolia Shap, is a natural potential neuroinflammatory inhibitor[1]. Episyringaresinol 4'-O-β-D-glncopyranoside (compound 22), isolated from Alhagi sparsifolia Shap, is a natural potential neuroinflammatory inhibitor[1].

   

Acanthoside B

(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C28H36O13 (580.2155806000001)


(+)-syringaresinol beta-D-glucoside is a beta-D-glucoside. It has a role as a metabolite. It is functionally related to a (+)-syringaresinol. Acanthoside B is a natural product found in Strychnos axillaris, Dalbergia sissoo, and other organisms with data available. Acanthoside B is a potential bioactive lignan with anti-inflammatory and anti-amnesic activities. Acanthoside B can be used for alzheimer's disease and lung inflammation research[1] Acanthoside B is a potential bioactive lignan with anti-inflammatory and anti-amnesic activities. Acanthoside B can be used for alzheimer's disease and lung inflammation research[1]

   

(+)-7-epi-Syringaresinol 4'-glucoside

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


(+)-7-epi-Syringaresinol 4-glucoside is a lignan and a glycoside. (+)-7-epi-Syringaresinol 4-glucoside is a natural product found in Strychnos axillaris, Cistanche tubulosa, and other organisms with data available. (+)-7-epi-Syringaresinol 4-glucoside is found in tea. (+)-7-epi-Syringaresinol 4-glucoside is a constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). Constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). (+)-7-epi-Syringaresinol 4-glucoside is found in tea.

   
   

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)


   

(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

NCGC00169670-02!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


   

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

NCGC00385356-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H28O12 (580.1580688)


   

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)


   

[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H28O12 (580.1580688)


   

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

   

S(8-8)S hexoside

S(8-8)S hexoside

C28H36O13 (580.2155806000001)


Annotation level-3

   
   

(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)


   

Cys Ser Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Cys Trp Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Cys Trp Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C28H32N6O6S (580.2103932)


   

Asp Phe His Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Phe Asn Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Phe Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Asp Phe Tyr His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp His Phe Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp His Tyr Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Asn Phe Trp

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Asn Trp Phe

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Trp Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Asp Trp Asn Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Tyr Phe His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asp Tyr His Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Asp His Tyr

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Asp Asn Trp

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Asp Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Phe Asp Tyr His

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Phe His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C29H36N6O5S (580.2467766)


   

Phe Phe Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C29H36N6O5S (580.2467766)


   

Phe His Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe His Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C29H36N6O5S (580.2467766)


   

Phe His Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

Phe His Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Phe Met Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C29H36N6O5S (580.2467766)


   

Phe Met His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

Phe Asn Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Asn Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Phe Trp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Phe Trp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Phe Tyr Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Phe Tyr His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

His Asp Phe Tyr

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

His Asp Tyr Phe

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

His Phe Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

His Phe Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C29H36N6O5S (580.2467766)


   

His Phe Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

His Met Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

SERUM SPREADING FACTOR

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

His Met Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

His Tyr Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

His Tyr Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

His Tyr Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Phe Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C29H36N6O5S (580.2467766)


   

Met Phe His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

Met His Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C29H36N6O5S (580.2467766)


   

Met His Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Met His Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Met His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Met Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Met Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Met Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Asn Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Asn Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Trp Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Trp Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Tyr His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Met Tyr Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Asn Asp Phe Trp

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asn Asp Trp Phe

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asn Phe Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asn Phe Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Asn Met Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

Asn Met Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Asn Trp Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Asn Trp Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Asn Trp Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Ser Cys Trp Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Ser Trp Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Ser Trp Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H32N6O6S (580.2103932)


   

Trp Cys Ser Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Trp Cys Trp Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C28H32N6O6S (580.2103932)


   

Trp Asp Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Trp Asp Asn Phe

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Trp Phe Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C28H32N6O8 (580.2281512)


   

Trp Phe Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Trp Met Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C25H36N6O6S2 (580.2137636)


   

Trp Met Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Trp Asn Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Trp Asn Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Trp Asn Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Trp Ser Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O6S (580.2103932)


   

Trp Ser Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H32N6O6S (580.2103932)


   

Trp Trp Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C28H32N6O6S (580.2103932)


   

Trp Trp Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C28H32N6O6S (580.2103932)


   

Tyr Asp Phe His

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Tyr Asp His Phe

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Tyr Phe Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Tyr Phe His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Tyr His Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C28H32N6O8 (580.2281512)


   

Tyr His Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]butanedioic acid

C28H32N6O8 (580.2281512)


   

Tyr His Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Tyr Met His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O6S2 (580.2137636)


   

Tyr Met Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O6S2 (580.2137636)


   

(+)-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)


   

Prunin 6-p-coumarate

Prunin 6-p-coumarate

C30H28O12 (580.1580688)


   

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)


   

6''-p-Coumaroylprunin

(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H28O12 (580.1580688)


   

(+)-7-epi-Syringaresinol 4'-glucoside

2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O13 (580.2155806000001)


   

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)


   

(tcnq)2 isoquinoline(n-n-propyl)

(tcnq)2 isoquinoline(n-n-propyl)

C36H22N9+ (580.1998072)


   

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

C32H25ClN4O5 (580.151339)


   
   

Tris(4-tert-butylphenyl)sulfoniumtrifluoromethanesulfonate

Tris(4-tert-butylphenyl)sulfoniumtrifluoromethanesulfonate

C31H39F3O3S2 (580.2292580000001)


   
   

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].

   
   

(TCNQ)2 QUINOLINE(N-N-PROPYL)

(TCNQ)2 QUINOLINE(N-N-PROPYL)

C36H22N9 (580.1998072)


   

(3R,5S)-Atorvastatin sodium

(3R,5S)-Atorvastatin sodium

C33H34FN2NaO5 (580.2349326)


   
   

Tavilermide

Tavilermide

C24H32N6O11 (580.2128961999999)


C78272 - Agent Affecting Nervous System > C154292 - Nerve Growth Factor Mimetic

   

3-[2-(2-Methoxyethoxy)ethyl]-15-methylspiro[1,3-oxazolidine-5,16-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3,4-trione

3-[2-(2-Methoxyethoxy)ethyl]-15-methylspiro[1,3-oxazolidine-5,16-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3,4-trione

C32H28N4O7 (580.1957898000001)


   

Betamicin sulfate

Betamicin sulfate

C19H40N4O14S (580.226162)


C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

   

Gepotidacin mesylate

Gepotidacin mesylate

C25H36N6O8S (580.2315216000001)


C254 - Anti-Infective Agent > C52588 - Antibacterial Agent

   

(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)


   

7-[3-O-(4-Hydroxycinnamoyl)-beta-D-glucopyranosyloxy]-4,5-dihydroxyflavanone

7-[3-O-(4-Hydroxycinnamoyl)-beta-D-glucopyranosyloxy]-4,5-dihydroxyflavanone

C30H28O12 (580.1580688)


   

biliverdin-IX-alpha

3-(2-{[3-(2-carboxylatoethyl)-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl)propanoic acid

C33H32N4O6 (580.2321732)


Biliverdin-ix-alpha is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Biliverdin-ix-alpha can be found in a number of food items such as pineappple sage, potato, pitanga, and kumquat, which makes biliverdin-ix-alpha a potential biomarker for the consumption of these food products. Biliverdin-ix-α is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Biliverdin-ix-α can be found in a number of food items such as pineappple sage, potato, pitanga, and kumquat, which makes biliverdin-ix-α a potential biomarker for the consumption of these food products.

   

4-[6-O-(4-Hydroxycinnamoyl)beta-D-glucopyranosyloxy]-2,3,4-trihydroxychalcone

4-[6-O-(4-Hydroxycinnamoyl)beta-D-glucopyranosyloxy]-2,3,4-trihydroxychalcone

C30H28O12 (580.1580688)


   

3-[(2E,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

3-[(2E,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H32N4O6-2 (580.2321732)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   
   
   

methotrexate di-L-glutamate

methotrexate di-L-glutamate

C25H26N9O8-3 (580.1904256)


   

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)


   

Landomycin R

Landomycin R

C31H32O11 (580.1944522)


A natural product found in Streptomyces cyanogenus.

   

leufolin B

leufolin B

C30H28O12 (580.1580688)


A flavanone glycoside that is 6,8,4-trihydroxyflavanone attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl moiety at position 4 via a glycosidic linkage. Isolated from Leucas urticifolia, it acts as a cholinesterase inhibitor.

   

leufolin A

leufolin A

C30H28O12 (580.1580688)


A flavanone glycoside that is (S)-naringenin attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl moiety at position 4 via a glycosidic linkage. Isolated from Leucas urticifolia, it acts as a cholinesterase inhibitor.

   

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.

   
   

1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-(4-fluorophenyl)-3-[(5S,6R,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

1-(4-fluorophenyl)-3-[(5S,6R,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

C31H34F2N4O5 (580.2497138)


   

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

C30H36N4O6S (580.2355436)


   

3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

(5S,6R,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5S,6R,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5S,6S,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5S,6S,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5S,6S,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5S,6S,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5S,6R,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5S,6R,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

C30H36N4O6S (580.2355436)


   

1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

C30H36N4O6S (580.2355436)


   

3-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

3-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

3-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

C30H36N4O6S (580.2355436)


   

(5R,6R,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5R,6R,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5R,6R,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5R,6R,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5R,6S,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5R,6S,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

(5R,6S,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

(5R,6S,9R)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

C27H37ClN4O6S (580.2122212)


   

5-Methoxycastavinol

5-Methoxycastavinol

C27H32O14 (580.1791972)


   

(2S,3S,4R,5R)-6-[4-[2-(benzenesulfinyl)ethyl]-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4R,5R)-6-[4-[2-(benzenesulfinyl)ethyl]-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C29H28N2O9S (580.1515438)


   

1-(3-carboxypropyl)-5-[(2E)-2-[(2S,3R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-4-ylidene]ethyl]pyridin-1-ium-3-carboxylic acid

1-(3-carboxypropyl)-5-[(2E)-2-[(2S,3R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-4-ylidene]ethyl]pyridin-1-ium-3-carboxylic acid

C27H34NO13+ (580.2030054)


   

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)


   
   
   

biliverdin(2-)

biliverdin(2-)

C33H32N4O6 (580.2321732)


Dicarboxylate anion of biliverdin; major species at pH 7.3.

   

6-p-Coumaroylprunin

6-p-Coumaroylprunin

C30H28O12 (580.1580688)


   

2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C30H28O12 (580.1580688)


   

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

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

C27H32O14 (580.1791972)


   

(+)-syringaresinol beta-D-glucoside

(+)-syringaresinol beta-D-glucoside

C28H36O13 (580.2155806000001)


   
   
   
   
   
   

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].