Exact Mass: 564.1901556

Exact Mass Matches: 564.1901556

Found 495 metabolites which its exact mass value is equals to given mass value 564.1901556, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Apiin

7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Apiin is a beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin. It is a conjugate acid of an apiin(1-). Apiin is a natural product found in Crotalaria micans, Limonium axillare, and other organisms with data available. See also: Chamomile (part of); Chamaemelum nobile flower (part of). Apiin is found in celery leaves. Apiin is a constituent of parsley (Petroselinum crispum) and of the flowers of Anthemis nobilis (Roman chamomile). First isolated in 1843 Apiin is a chemical compound isolated from parsley and celery Constituent of parsley (Petroselinum crispum) and of the flowers of Anthemis nobilis (Roman chamomile). First isol. in 1843 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2350 Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1]. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].

   

6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigenin

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

C26H28O14 (564.1478988)


5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one is a member of flavonoids and a C-glycosyl compound. 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one is a natural product found in Cymbidium kanran, Acanthus, and other organisms with data available. 6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigenin is found in herbs and spices. 6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigenin is a constituent of Passiflora incarnata (maypops). Constituent of Passiflora incarnata (maypops). Apigenin 6-C-glucoside 8-C-riboside is found in herbs and spices. Neoschaftoside is a flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage. It has a role as a plant metabolite. It is a flavone C-glycoside and a dihydroxyflavone. It is functionally related to an apigenin. Neoschaftoside is a natural product found in Radula complanata, Artemisia judaica, and other organisms with data available. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1]. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1]. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1].

   

Protoaphin aglucone

Protoaphin aglucone; Protoaphin aglycone

C30H28O11 (564.1631538)


The aglycone of protaphin, a yellow hydroxylated quinoid pigment found in aphids.

   

Kanamycin 3-phosphate

Kanamycin A 3-phosphate; Kanamycin 3-phosphate

C18H37N4O14P (564.2043792)


   

Aerobactin

(2S)-2-[3-carboxy-3-({[(1S)-1-carboxy-5-(N-hydroxyacetamido)pentyl]carbamoyl}methyl)-3-hydroxypropanamido]-6-(N-hydroxyacetamido)hexanoic acid

C22H36N4O13 (564.2278766)


Aerobactin is a virulence factor for enteric bacteria found occasionally in humans, and is produced by bacteria such as Enterobacter cloacae. E. cloacae is part of the normal intestinal floras of many individuals and not a primary human pathogen but has been considered to be an important cause of nosocomial infections. Aerobactin secretion in vivo could be an important step in the stages of the infection cycle during which intestine-populating opportunistic bacteria effectively colonize the gut, penetrate the mucous layer covering the intestinal villi, translocate out of intestinal lumen through the epithelial cells, and finally spread to organs within which they may survive. (PMID: 9453621, 8752377) [HMDB] Aerobactin is a virulence factor for enteric bacteria found occasionally in humans, and is produced by bacteria such as Enterobacter cloacae. E. cloacae is part of the normal intestinal floras of many individuals and not a primary human pathogen but has been considered to be an important cause of nosocomial infections. Aerobactin secretion in vivo could be an important step in the stages of the infection cycle during which intestine-populating opportunistic bacteria effectively colonize the gut, penetrate the mucous layer covering the intestinal villi, translocate out of intestinal lumen through the epithelial cells, and finally spread to organs within which they may survive. (PMID: 9453621, 8752377). D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   

Pinocembrin 7-rhamnosylglucoside

Pinocembrin 7-rhamnosylglucoside

C27H32O13 (564.1842822)


A flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.

   

Cascaroside C

1-hydroxy-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

C27H32O13 (564.1842822)


Cascaroside D is from cascara sagrada (Rhamnus purshiana) bark From cascara sagrada (Rhamnus purshiana) bark

   
   

Aloinoside B

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

C27H32O13 (564.1842822)


Aloinoside A is a constituent of Aloe ferox and other Aloe species. Isolated from leaves of Aloe cf. perryi

   
   

Isovitexin 2-O-xyloside

Isovitexin 2-O-arabinoside

C26H28O14 (564.1478988)


Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1]. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1].

   

Schaftoside

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

C26H28O14 (564.1478988)


Apigenin 6-c-glucoside 8-c-riboside 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. Apigenin 6-c-glucoside 8-c-riboside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucoside 8-c-riboside can be found in herbs and spices, which makes apigenin 6-c-glucoside 8-c-riboside a potential biomarker for the consumption of this food product. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1]. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1]. Schaftoside is a flavonoid found in a variety of Chinese herbal medicines, such as Eleusine indica. Schaftoside inhibits the expression of TLR4 and Myd88. Schaftoside also decreases Drp1 expression and phosphorylation, and reduces mitochondrial fission[1].

   
   

Corymboside

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

C26H28O14 (564.1478988)


Corymboside is found in cereals and cereal products. Corymboside is isolated from Triticum aestivum (wheat) (as acyl derivatives) Isolated from Triticum aestivum (wheat) (as acyl derivs.). Corymboside is found in wheat and cereals and cereal products.

   

Isovitexin 2'-O-arabinoside

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Isovitexin 2-O-arabinoside is found in cereals and cereal products. Isovitexin 2-O-arabinoside is isolated from Avena sativa (oats). Isolated from Avena sativa (oats). Isovitexin 2-arabinoside is found in oat and cereals and cereal products. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1]. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1].

   

Apigenin 6-C-glucoside 8-C-arabinoside

8-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

C26H28O14 (564.1478988)


Apigenin 6-C-glucoside 8-C-arabinoside is a polyphenol compound found in foods of plant origin (PMID: 20428313)

   

Kaempferol 3-rhamnoside 7-xyloside

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

C26H28O14 (564.1478988)


Kaempferol 3-rhamnoside 7-xyloside is found in herbs and spices. Kaempferol 3-rhamnoside 7-xyloside is isolated from fruit of Mexican tea (Chenopodium ambrosioides). Isolated from fruit of Mexican tea (Chenopodium ambrosioides). Kaempferol 3-rhamnoside 7-xyloside is found in herbs and spices.

   

Kaempferol 3-arabinofuranoside 7-rhamnofuranoside

7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Isolated from leaves of sloe (Prunus spinosa). Kaempferol 3-arabinofuranoside 7-rhamnofuranoside is found in many foods, some of which are fruits, herbs and spices, beverages, and alcoholic beverages. Kaempferol 3-arabinofuranoside 7-rhamnofuranoside is found in alcoholic beverages. Kaempferol 3-arabinofuranoside 7-rhamnofuranoside is isolated from leaves of sloe (Prunus spinosa).

   

Kaempferol 3-rhamnoside 4'-xyloside

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-4H-chromen-4-one

C26H28O14 (564.1478988)


Kaempferol 3-rhamnoside 4-xyloside is found in herbs and spices. Kaempferol 3-rhamnoside 4-xyloside is isolated from Chenopodium ambrosioides (Mexican tea). Isolated from Chenopodium ambrosioides (Mexican tea). Kaempferol 3-rhamnoside 4-xyloside is found in herbs and spices.

   

SA-beta-Gal

2-(hydroxymethyl)-6-[2-({2-[(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]hydrazin-1-ylidene}methyl)phenoxy]oxane-3,4,5-triol

C26H32N2O12 (564.1955152)


   

Apigenin 6-C-arabinoside 8-C-glucoside

6-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

C26H28O14 (564.1478988)


Apigenin 6-c-arabinoside 8-c-glucoside 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. Apigenin 6-c-arabinoside 8-c-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-arabinoside 8-c-glucoside can be found in common wheat, which makes apigenin 6-c-arabinoside 8-c-glucoside a potential biomarker for the consumption of this food product.

   

Apigenin 6-C-galactoside 8-C-arabinoside

8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

C26H28O14 (564.1478988)


Apigenin 6-c-galactoside 8-c-arabinoside 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. Apigenin 6-c-galactoside 8-c-arabinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-galactoside 8-c-arabinoside can be found in common wheat, which makes apigenin 6-c-galactoside 8-c-arabinoside a potential biomarker for the consumption of this food product.

   

Apigenin 7-apiosyl-glucoside

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

C26H28O14 (564.1478988)


Apigenin 7-apiosyl-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Apigenin 7-apiosyl-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-apiosyl-glucoside can be found in german camomile, parsley, roman camomile, and wild celery, which makes apigenin 7-apiosyl-glucoside a potential biomarker for the consumption of these food products.

   

Apigenin 6-C-glucosyl-O-arabinoside

6-[(3R,4R,5S,6R)-6-({[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Apigenin 6-c-glucosyl-o-arabinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucosyl-o-arabinoside can be found in oat, which makes apigenin 6-c-glucosyl-o-arabinoside a potential biomarker for the consumption of this food product.

   

Vitexin 2'-xyloside

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

C26H28O14 (564.1478988)


Vitexin 2-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 2-xyloside can be found in lemon, which makes vitexin 2-xyloside a potential biomarker for the consumption of this food product.

   

Kaempferol 3-O-arabinosyl 7-O-rhamnoside

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

C26H28O14 (564.1478988)


Kaempferol 3-o-arabinosyl 7-o-rhamnoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 3-o-arabinosyl 7-o-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-arabinosyl 7-o-rhamnoside can be found in pepper (spice), which makes kaempferol 3-o-arabinosyl 7-o-rhamnoside a potential biomarker for the consumption of this food product.

   

Isoshaftoside

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one

C26H28O14 (564.1478988)


Isoschaftoside is a C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. It has a role as a metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin. Isoschaftoside is a natural product found in Centaurea virgata, Galipea trifoliata, and other organisms with data available. A C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. Isoschaftoside, a C-glycosylflavonoid from Desmodium uncinatum root exudate, can inhibit growth of germinated S. hermonthica radicles[1][2]. Isoschaftoside, a C-glycosylflavonoid from Desmodium uncinatum root exudate, can inhibit growth of germinated S. hermonthica radicles[1][2].

   

Vicenin III

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Apigenin 6-c-glucoside 8-c-riboside 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. Apigenin 6-c-glucoside 8-c-riboside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucoside 8-c-riboside can be found in herbs and spices, which makes apigenin 6-c-glucoside 8-c-riboside a potential biomarker for the consumption of this food product. Vicenin-3 is a C-glycosyl compound that is apigenin substituted by a beta-D-glucosyl group and a beta-D-xylosyl group at positions 6 and 8 respectively. It has a role as a plant metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an isovitexin. Vicenin 3 is a natural product found in Rhynchosia minima, Gnetum buchholzianum, and other organisms with data available. Vicenin 3 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=46.91 μM) from the aerial parts of Desmodium styracifolium[1]. Vicenin 3 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=46.91 μM) from the aerial parts of Desmodium styracifolium[1].

   

Vicenin

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Vicenin-3 is a C-glycosyl compound that is apigenin substituted by a beta-D-glucosyl group and a beta-D-xylosyl group at positions 6 and 8 respectively. It has a role as a plant metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an isovitexin. Vicenin 3 is a natural product found in Rhynchosia minima, Gnetum buchholzianum, and other organisms with data available. A C-glycosyl compound that is apigenin substituted by a beta-D-glucosyl group and a beta-D-xylosyl group at positions 6 and 8 respectively. Vicenin-1 is a natural product found in Linum grandiflorum with data available. Vicenin 3 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=46.91 μM) from the aerial parts of Desmodium styracifolium[1]. Vicenin 3 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=46.91 μM) from the aerial parts of Desmodium styracifolium[1]. Vicenin 1 is a C-glycosylflavone that has an inhibitory effect on angiotensin-converting enzyme (ACE)(IC50=52.50 μM)[1]. Vicenin 1 is a C-glycosylflavone that has an inhibitory effect on angiotensin-converting enzyme (ACE)(IC50=52.50 μM)[1].

   

Anthraquinone base + 2O, MeOH, O-Hex-Pen

Anthraquinone base + 2O, MeOH, O-Hex-Pen

C26H28O14 (564.1478988)


Annotation level-3

   

Ambocin

7- [ (2S,3R,4S,5S,6R) -6- [ [ (2R,3R,4R) -3,4-dihydroxy-4- (hydroxymethyl) oxolan-2-yl ] oxymethyl ] -3,4,5-trihydroxyoxan-2-yl ] oxy-5-hydroxy-3- (4-hydroxyphenyl) chromen-4-one

C26H28O14 (564.1478988)


   

Lepidoside

3,5,7,4-Tetrahydroxyflavone 3-xyloside-7-rhamnoside

C26H28O14 (564.1478988)


   

Isomollupentin 2-O-glucoside

Isomollupentin 2-O-glucoside

C26H28O14 (564.1478988)


   

Isomollupentin 4-O-glucoside

Isomollupentin 4-O-glucoside

C26H28O14 (564.1478988)


   

Isomollupentin 7-O-glucoside

5,7,4-Trihydroxyflavone 6-C-alpha-L-arabinopyranoside-7-O-glucoside

C26H28O14 (564.1478988)


   

6)-glucopyranoside

5,7,4-Trihydroxyisoflavone 8-C- [ apiosyl- (1->6) -glucoside ]

C26H28O14 (564.1478988)


   

2)-galactoside]

Apigenin 8-C-[xylosyl-(1-

C26H28O14 (564.1478988)


   

Vitexin 4-O-xyloside

Vitexin 4-O-xyloside

C26H28O14 (564.1478988)


   

4)rhamnoside

5,6,7,4-Tetrahydroxyflavone 7-xylosyl- (1->4) rhamnoside

C26H28O14 (564.1478988)


   
   
   

2,7-Dihydroxy-4-methoxyphenanthrene 2,7-O-diglucoside

2,7-Dihydroxy-4-methoxyphenanthrene 2,7-O-diglucoside

C27H32O13 (564.1842822)


   

Artabotryside B

3- [ [ 2-O- (6-Deoxy-alpha-L-mannopyranosyl) -alpha-L-arabinofuranosyl ] oxy ] -5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   

Kachimoside

5,7,4-Trihydroxyflavone 6-C- [ xylosyl- (1->6) -glucoside ]

C26H28O14 (564.1478988)


   

Kaempferol 3-rhamnoside-7-alpha-L-arabionopyranoside

Kaempferol 3-rhamnoside-7-alpha-L-arabionopyranoside

C26H28O14 (564.1478988)


   

Scutellarein 6-xyloside-7-rhamnoside

Scutellarein 6-xyloside-7-rhamnoside

C26H28O14 (564.1478988)


   

Neobacin

Genistein 7-O-glucoside-4-O-apioside

C26H28O14 (564.1478988)


   

Kohatine

5-Hydroxy-(+)-cocsoline

C34H32N2O6 (564.2260252)


   

Patuletin 7-(6-isobutyrylglucoside)

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   

6-C-Xylosylluteolin 2-O-rhamnoside

6-C-Xylosylluteolin 2-O-rhamnoside

C26H28O14 (564.1478988)


   

4)-rhamnoside

Isoliquiritigenin 2-glucosyl-(1-

C27H32O13 (564.1842822)


   
   
   

2)-glucoside

Apigenin 7-xylosyl-(1-

C26H28O14 (564.1478988)


   

E-6-O-p-coumaroyl scandoside methyl ester 10-O-methyl methyl ether

E-6-O-p-coumaroyl scandoside methyl ester 10-O-methyl methyl ether

C27H32O13 (564.1842822)


   

Vitexin 2-O-alpha-D-arabinofuranoside

Vitexin 2-O-alpha-D-arabinofuranoside

C26H28O14 (564.1478988)


   
   

6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin

8-D-Apio-beta-D-furanosyl-6-beta-D-glucopyranosyl-5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   
   

Apigenin 7-xylosylglucoside

Apigenin 7-xylosylglucoside

C26H28O14 (564.1478988)


   
   

Chalcocaryanone B

Chalcocaryanone B

C34H28O8 (564.1784088)


   
   

Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside

Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside

C26H28O14 (564.1478988)


   

Bicaryanone A

(2S,4bR,7aS,7bR,8R,11S,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2,3]-furanofuro[3,2:3,4]naphtho[1,2-b:7,8-b]dipyran-4,6,13,17(5H,12H)-tetrone

C34H28O8 (564.1784088)


   
   
   
   

6)-glucoside

7- [ (6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   

4)-xyloside

3,5,7,4-Tetrahydroxyflavone 3-rhamnosyl- (1->4) -xyloside

C26H28O14 (564.1478988)


   

chalcocaryanone C

chalcocaryanone C

C34H28O8 (564.1784088)


   
   

2)-rhamnoside

Kaempferol 3-xylosyl-(1-

C26H28O14 (564.1478988)


   

5,7,3-Trihydroxy-6.8,4-trimethoxyflavone 5-(6-acetylglucoside)

5,7,3-Trihydroxy-6,8,4-trimethoxyflavone 5- (6"-acetylglucoside)

C26H28O14 (564.1478988)


   
   

Luteolin 3-methyl ether 7,4-dixyloside

Luteolin 3-methyl ether 7,4-dixyloside

C26H28O14 (564.1478988)


   

Isovitexin 7-O-xyloside

Isovitexin 7-O-xyloside

C26H28O14 (564.1478988)


   

4)-arabinoside

6,3,4-Trihydroxy-7-methoxyaurone 6-xylosyl- (1->4) -arabinoside

C26H28O14 (564.1478988)


   

4)-arabinoside

Naringenin 5,7-dimethyl ether 4-O-xylosyl-(1-

C27H32O13 (564.1842822)


   
   

Mahuangchiside

5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   
   
   
   

corymboside

6-alpha-L-Arabinopyranosyl-8-beta-D-galactopyranosyl-5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   

Bicaryanone B

(2R,4bR,7aS,7bR,8R,11S,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2,3]-furanofuro[3,2:3,4]naphtho[1,2-b:7,8-b]dipyran-4,6,13,17(5H,12H)-tetrone

C34H28O8 (564.1784088)


   

Bicaryanone C

(2S,4bR,7aS,7bR,8R,11R,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-decahydro-2,11-Diphenyl-11H-8,13a[2,3]-furanofuro[3,2:3,4]naphtho[1,2-b:7,8-b]dipyran-4,6,13,17(5H,12H)-tetrone

C34H28O8 (564.1784088)


   

Bicaryanone D

(2R,4bR,7aS,7bR,8R,11R,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2,3]-furanofuro[3,2:3,4]naphtho[1,2-b:7,8-b]dipyran-4,6,13,17(5H,12H)-tetrone

C34H28O8 (564.1784088)


   

Cerarvensin 7-O-glucoside

5,7,4-Trihydroxyflavone 6-C-xyloside-7-O-glucoside

C26H28O14 (564.1478988)


   

1-Epikohatine

(+)-5-Hydroxyapateline

C34H32N2O6 (564.2260252)


   

Pinocembrin 7-rutinoside

Pinocembrin 7-rutinoside

C27H32O13 (564.1842822)


   

Neoschaftoside

5,7-dihydroxy-2- (4-hydroxyphenyl) -6- [ (2S,3R,4R,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl ] -8- [ (2R,3R,4S,5S) -3,4,5-trihydroxyoxan-2-yl ] chromen-4-one

C26H28O14 (564.1478988)


6-beta-d-glucopyranosyl-8-beta-d-ribopyranosylapigenin 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. 6-beta-d-glucopyranosyl-8-beta-d-ribopyranosylapigenin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-beta-d-glucopyranosyl-8-beta-d-ribopyranosylapigenin can be found in herbs and spices, which makes 6-beta-d-glucopyranosyl-8-beta-d-ribopyranosylapigenin a potential biomarker for the consumption of this food product.

   

6-C-Galactopyranosyl-8-C-xylopyranosylapigenin

5,7,4-Trihydroxyflavone 6-C-galactoside-8-C-xyloside

C26H28O14 (564.1478988)


   

Isocorymboside

5,7,4-Trihydroxyflavone 6-C-galactpyranoside-8-C-alpha-L-arabinopyranoside

C26H28O14 (564.1478988)


   

Neocorymboside

5,7,4-Trihydroxyflavone 6-C-beta-L-arabinofuranoside-8-C-galactoside

C26H28O14 (564.1478988)


   

neoisoschaftoside

5,7,4-Trihydroxyflavone 6-C-beta-L-arabinopyranoside-8-C-glucoside

C26H28O14 (564.1478988)


   

6-C-Xylopyranosyl-8-C-galactopyranosylapigenin

5,7,4-Trihydroxyflavone 6-C-xyloside-8-C-galactoside

C26H28O14 (564.1478988)


   

Apigenin 7-xylosyl- (1->2) -glucoside

5,7,4-Trihydroxyflavone 7-xylosyl- (1->2) -glucoside

C26H28O14 (564.1478988)


   

Apiin

7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Apiin is a beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin. It is a conjugate acid of an apiin(1-). Apiin is a natural product found in Crotalaria micans, Limonium axillare, and other organisms with data available. See also: Chamomile (part of); Chamaemelum nobile flower (part of). A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1]. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].

   

Isovitexin 2-O-arabinoside

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1]. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1].

   

Kaempferol 3-rhamnoside-7-xyloside

3,5,7,4-Tetrahydroxyflavone 3-rhamnoside-7-xyloside

C26H28O14 (564.1478988)


   

Kaempferol 3-rhamnoside-4-xyloside

3,5,7,4-Tetrahydroxyflavone 3-rhamnoside-4-xyloside

C26H28O14 (564.1478988)


   

Pinocembrin 7-rhamnosylglucoside

(2S) -2-cyclohexyl-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 ] oxyoxan-2-yl ] oxy-5-hydroxychroman-4-one

C27H31HO13 (564.1842822)


   

Vicenin 1

8-beta-D-Glucopyranosyl-5,7-dihydroxy-2- (4-hydroxyphenyl) -6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


Vicenin 1 is a C-glycosylflavone that has an inhibitory effect on angiotensin-converting enzyme (ACE)(IC50=52.50 μM)[1]. Vicenin 1 is a C-glycosylflavone that has an inhibitory effect on angiotensin-converting enzyme (ACE)(IC50=52.50 μM)[1].

   

KET_M565

KET_M565

C26H30Cl2N4O6 (564.15423)


CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2601

   

Pelargonidin 3-sambubioside

Pelargonidin 3-sambubioside

C26H28O14 (564.1478988)


   

Genistein 7-O-apiosyl-(1->6)-glucoside

Genistein 7-O-apiosyl-(1->6)-glucoside

C26H28O14 (564.1478988)


   

methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

C27H32O13 (564.1842822)


   
   

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H28O11 (564.1631538)


   
   

Flavone base + 3O, C-Pen-Hex

Flavone base + 3O, C-Pen-Hex

C26H28O14 (564.1478988)


Annotation level-3

   

Traxillaside

3-[[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

C28H36O12 (564.2206656000001)


   

10-O-(trans-3,4-dimethoxycinnamoyl)geniposidic acid

10-O-(trans-3,4-dimethoxycinnamoyl)geniposidic acid

C27H32O13 (564.1842822)


   

C-pentosyl-apigenin O-hexoside

C-pentosyl-apigenin O-hexoside

C26H28O14 (564.1478988)


   

Vitexin 2-O-xyloside

Vitexin 2-O-xyloside

C26H28O14 (564.1478988)


   

Morindin|Morinolonin, 6-P ? von Morinolon

Morindin|Morinolonin, 6-P ? von Morinolon

C26H28O14 (564.1478988)


   
   
   
   

Bruceaentinol|Bruceantinol|brucein C|Brucein-C|bruceine C

Bruceaentinol|Bruceantinol|brucein C|Brucein-C|bruceine C

C28H36O12 (564.2206656000001)


   

(8R,8S,7S)-4-[(3-methoxy-alpha-L-rhamnopyranosyl)oxy]-8-hydroxy-3,3,4-trimethoxy-8-hydroxymethyllign-7,9-lactone

(8R,8S,7S)-4-[(3-methoxy-alpha-L-rhamnopyranosyl)oxy]-8-hydroxy-3,3,4-trimethoxy-8-hydroxymethyllign-7,9-lactone

C28H36O12 (564.2206656000001)


   

3,4-Di-Me ether,5-O-rutinoside-(E)-1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene

3,4-Di-Me ether,5-O-rutinoside-(E)-1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene

C28H36O12 (564.2206656000001)


   

Benzyl alcohol ??-D-glucopyranosyl-(1鈥樏傗垎2)-[??-D-xylopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside|benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside

Benzyl alcohol ??-D-glucopyranosyl-(1鈥樏傗垎2)-[??-D-xylopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside|benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   
   

10-O-coumaroyl-10-O-deacetyl-11-demethoxy-11-ethoxydaphylloside|ethyl(1S,4aS,5S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a,-tetrahydro-5-hydroxy-7-{{[(2E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]oxy}methyl}cyclopenta[c]pyran-4-carboxylate

10-O-coumaroyl-10-O-deacetyl-11-demethoxy-11-ethoxydaphylloside|ethyl(1S,4aS,5S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a,-tetrahydro-5-hydroxy-7-{{[(2E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]oxy}methyl}cyclopenta[c]pyran-4-carboxylate

C27H32O13 (564.1842822)


   

3,5-dimethoxy-4-(beta-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside)stilbene

3,5-dimethoxy-4-(beta-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside)stilbene

C28H36O12 (564.2206656000001)


   
   

quercetagetin 7-O-(6-O-2-methylbutyryl)-beta-glucoside

quercetagetin 7-O-(6-O-2-methylbutyryl)-beta-glucoside

C26H28O14 (564.1478988)


   

1,4-bis-acetoxymethyl-7-acetyl-4-<2-(6-acetyl-5-hydroxy-benzo furanyl)>-6,7-dihydroxy-1,2,3,4-tetrahydrodibenzo furan|1,4-bis-acetoxymethyl-7-acetyl-4-[2-(6-acetyl-5-hydroxy-benzo[b] furanyl)]-6,7-dihydroxy-1,2,3,4-tetrahydrodibenzo[b,d] furan

1,4-bis-acetoxymethyl-7-acetyl-4-<2-(6-acetyl-5-hydroxy-benzo furanyl)>-6,7-dihydroxy-1,2,3,4-tetrahydrodibenzo furan|1,4-bis-acetoxymethyl-7-acetyl-4-[2-(6-acetyl-5-hydroxy-benzo[b] furanyl)]-6,7-dihydroxy-1,2,3,4-tetrahydrodibenzo[b,d] furan

C30H28O11 (564.1631538)


   
   

6-O-Z-p-Methoxycinnamoyl scandoside methyl ester

6-O-Z-p-Methoxycinnamoyl scandoside methyl ester

C27H32O13 (564.1842822)


   

3-O-<2-O-(beta-D-xylopyranosyl)-beta-galactopyranosyl>-flavonoid|3-O-[2-O-(beta-D-xylopyranosyl)-beta-galactopyranosyl]-flavonoid

3-O-<2-O-(beta-D-xylopyranosyl)-beta-galactopyranosyl>-flavonoid|3-O-[2-O-(beta-D-xylopyranosyl)-beta-galactopyranosyl]-flavonoid

C26H28O14 (564.1478988)


   

kaempferol-3-O-alpha-L-rhamnopyranosyl-(1 ? 2)-beta-D-xylopyranoside

kaempferol-3-O-alpha-L-rhamnopyranosyl-(1 ? 2)-beta-D-xylopyranoside

C26H28O14 (564.1478988)


   
   

2-methyl-3,5,6-trihydroxyanthraquinone-6-beta-primeveroside

2-methyl-3,5,6-trihydroxyanthraquinone-6-beta-primeveroside

C26H28O14 (564.1478988)


   

Rhododactynaphin jc-2

Rhododactynaphin jc-2

C30H28O11 (564.1631538)


   

Isoliquiritigenin 2-glucosyl-(1->4)-rhamnoside

Isoliquiritigenin 2-glucosyl-(1->4)-rhamnoside

C27H32O13 (564.1842822)


   

quercetagetin 7-O-(6-O-isovaleryl)-beta-glucoside

quercetagetin 7-O-(6-O-isovaleryl)-beta-glucoside

C26H28O14 (564.1478988)


   
   

Apigenin 7-xylosyl-(1->2)-glucoside

Apigenin 7-xylosyl-(1->2)-glucoside

C26H28O14 (564.1478988)


   

corylifonol (6<--1)-O-beta-D-glucopyranoside acetate

corylifonol (6<--1)-O-beta-D-glucopyranoside acetate

C27H32O13 (564.1842822)


   

isocorylifonol (4<--1)-O-beta-D-glucopyranoside acetate

isocorylifonol (4<--1)-O-beta-D-glucopyranoside acetate

C27H32O13 (564.1842822)


   

(1R*,2R*,3R*,5Z,7S*,8S*,9S*,10S*,11R*,12S*,14S*,17R*)-2,3,9,14-tetraacetoxy-8,17:11,12-bisepoxybriar-5-en-18-one|excavatolide P

(1R*,2R*,3R*,5Z,7S*,8S*,9S*,10S*,11R*,12S*,14S*,17R*)-2,3,9,14-tetraacetoxy-8,17:11,12-bisepoxybriar-5-en-18-one|excavatolide P

C28H36O12 (564.2206656000001)


   
   

Rhamnoisoliquiritin

Rhamnoisoliquiritin

C27H32O13 (564.1842822)


   

5,6,6a,14a-Tetrahydro-5,6-dihydroxy-3,10-bis(2-phenylethyl)-1H,12H-[1]benzopyrano[7,6-b]pyrano[3,2-f][1,4]benzodioxin-1,12-dione|AH21

5,6,6a,14a-Tetrahydro-5,6-dihydroxy-3,10-bis(2-phenylethyl)-1H,12H-[1]benzopyrano[7,6-b]pyrano[3,2-f][1,4]benzodioxin-1,12-dione|AH21

C34H28O8 (564.1784088)


   
   

bistratamide J

bistratamide J

C25H36N6O5S2 (564.2188486)


A homodetic cyclic peptide that consists of L-valine and L-threonine as the amino acid residues. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.

   
   
   

6-beta-D-xylose-genistin|6-??-D-Xylose-genistin

6-beta-D-xylose-genistin|6-??-D-Xylose-genistin

C26H28O14 (564.1478988)


   

benzyl beta-D-glucopyranosyl-(1<*>2)-6)>-beta-D-glucopyranoside

benzyl beta-D-glucopyranosyl-(1<*>2)-6)>-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   

5,7-Di-Me ether,4-O-[beta-D-xylopyranoside-beta-D-arabinopyranoside]-6-p-Coumaroylprunin-4,5,7-Trihydroxyflavanone

5,7-Di-Me ether,4-O-[beta-D-xylopyranoside-beta-D-arabinopyranoside]-6-p-Coumaroylprunin-4,5,7-Trihydroxyflavanone

C27H32O13 (564.1842822)


   
   

diosmetin 7-O-beta-L-arabinofuranosyl-(1?2)-beta-D-apiofuranoside

diosmetin 7-O-beta-L-arabinofuranosyl-(1?2)-beta-D-apiofuranoside

C26H28O14 (564.1478988)


   
   
   

Genipin 1-o-beta-D-gentiobioside

Genipin 1-o-beta-D-gentiobioside

C24H36O15 (564.2054106)


   
   

4-O-(E)-feruloylixoside|tarenninoside F

4-O-(E)-feruloylixoside|tarenninoside F

C26H28O14 (564.1478988)


   

MAYTANSINOL

MAYTANSINOL

C28H37ClN2O8 (564.2238312000001)


Maytansinol inhibits microtubule assembly and induces microtubule disassembly, in combination with radiation, in Drosophila and human cancer cells.

   

2-(4-alpha-L-Arabinofuranosyloxy-phenyl)-5,7-dihydroxy-3-alpha-L-rhamnofuranosyl(?)oxy-chromen-4-on|2-(4-alpha-L-arabinofuranosyloxy-phenyl)-5,7-dihydroxy-3-alpha-L-rhamnofuranosyl(?)oxy-chromen-4-one

2-(4-alpha-L-Arabinofuranosyloxy-phenyl)-5,7-dihydroxy-3-alpha-L-rhamnofuranosyl(?)oxy-chromen-4-on|2-(4-alpha-L-arabinofuranosyloxy-phenyl)-5,7-dihydroxy-3-alpha-L-rhamnofuranosyl(?)oxy-chromen-4-one

C26H28O14 (564.1478988)


   

benzyl beta-D-glucopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->6)]-beta-D-glucopyranoside|Benzyl ??-D-glucopyranosyl-(1鈥樏傗垎4)-[??-D-apiofuranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside

benzyl beta-D-glucopyranosyl-(1->4)-[beta-D-apiofuranosyl-(1->6)]-beta-D-glucopyranoside|Benzyl ??-D-glucopyranosyl-(1鈥樏傗垎4)-[??-D-apiofuranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside

C24H36O15 (564.2054106)


   

Tri-Ac-Homoflemingin

Tri-Ac-Homoflemingin

C32H36O9 (564.2359206)


   
   

3-acetyl-(-)-epicatechin 7-O-(6-isobutanoyloxy)-beta-D-glucopyranoside

3-acetyl-(-)-epicatechin 7-O-(6-isobutanoyloxy)-beta-D-glucopyranoside

C27H32O13 (564.1842822)


   

6-O-(E)-feruloylixoside|tarenninoside D

6-O-(E)-feruloylixoside|tarenninoside D

C26H28O14 (564.1478988)


   

(E)-6-O-p-methoxycinnamoylscandoside methyl ester

(E)-6-O-p-methoxycinnamoylscandoside methyl ester

C27H32O13 (564.1842822)


   
   
   

apigenin-6-C-[alpha-L-arabinopyranosyl-(1->6)]-O-beta-D-glucopyranoside

apigenin-6-C-[alpha-L-arabinopyranosyl-(1->6)]-O-beta-D-glucopyranoside

C26H28O14 (564.1478988)


   

Apigenin 7-apiofuranosyl-(1->6)-glucoside

5,7,4-Trihydroxyflavone 7-apiofuranosyl-(1->6)-glucoside

C26H28O14 (564.1478988)


   

kaempferol 3-O-apiofuranosyl-7-O-rhamnopyranosyl|kaempferol 3-O-beta-D-apiofuranosyl-7-O-alpha-L-rhamnopyranoside.

kaempferol 3-O-apiofuranosyl-7-O-rhamnopyranosyl|kaempferol 3-O-beta-D-apiofuranosyl-7-O-alpha-L-rhamnopyranoside.

C26H28O14 (564.1478988)


   

(-)-pinocembrin 7-O-rutinoside|pinocembrin-7-O-rutinoside|pinocembrine 7-rutinoside

(-)-pinocembrin 7-O-rutinoside|pinocembrin-7-O-rutinoside|pinocembrine 7-rutinoside

C27H32O13 (564.1842822)


   
   

daidzein 8-C-apiosyl(1-6) glucoside

daidzein 8-C-apiosyl(1-6) glucoside

C26H28O14 (564.1478988)


   

Kaempferol 3-rhamnosyl-(1->4)-xyloside

Kaempferol 3-rhamnosyl-(1->4)-xyloside

C26H28O14 (564.1478988)


   

(Sa)-rel-(5R,6S,7R,8R)-5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-1,5,8-triol 8-acetate 5-benzoate|kadsuphilol P

(Sa)-rel-(5R,6S,7R,8R)-5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-1,5,8-triol 8-acetate 5-benzoate|kadsuphilol P

C31H32O10 (564.1995372)


   

1,5-dihydroxy-3-methyl-anthraquinone-8-O-(4-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside

1,5-dihydroxy-3-methyl-anthraquinone-8-O-(4-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside

C26H28O14 (564.1478988)


   

10R-Chrysaloin 1-O-??-D-glucopyranoside

10R-Chrysaloin 1-O-??-D-glucopyranoside

C27H32O13 (564.1842822)


   

8-C-(2-O-beta-D-apiofuranosyl)-beta-D-glucopyranosyl apigenin|ficuflavoside

8-C-(2-O-beta-D-apiofuranosyl)-beta-D-glucopyranosyl apigenin|ficuflavoside

C26H28O14 (564.1478988)


   

kaempferol 3-O-alpha-L-arabinopyranosyl-(1->2)-alpha-L-rhamnopyranoside|kapinnatoside

kaempferol 3-O-alpha-L-arabinopyranosyl-(1->2)-alpha-L-rhamnopyranoside|kapinnatoside

C26H28O14 (564.1478988)


   

1,6-dihydroxy-2-methyl-8-O-beta-D-glucopyranosyl(1->6)-alpha-L-xylopyranoside anthraquinone

1,6-dihydroxy-2-methyl-8-O-beta-D-glucopyranosyl(1->6)-alpha-L-xylopyranoside anthraquinone

C26H28O14 (564.1478988)


   

3-O-Sinapoyl Sweroside

3-O-Sinapoyl Sweroside

C27H32O13 (564.1842822)


   
   

genistein 7-O-xylosyl-8-C-glucoside

genistein 7-O-xylosyl-8-C-glucoside

C26H28O14 (564.1478988)


   

7-O-beta-D-Glucopyranoside-Cerarvensin

7-O-beta-D-Glucopyranoside-Cerarvensin

C26H28O14 (564.1478988)


   

landomycin O

landomycin O

C31H32O10 (564.1995372)


A natural product found in Streptomyces cyanogenus.

   
   
   

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

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

C26H28O14 (564.1478988)


   

Apigenin 7-xylosyl-(1->6)-glucoside

Apigenin 7-xylosyl-(1->6)-glucoside

C26H28O14 (564.1478988)


   

Leptosidin 6-xylosyl-(1->4)-arabinoside

Leptosidin 6-xylosyl-(1->4)-arabinoside

C26H28O14 (564.1478988)


   

Naringenin 5,7-dimethyl ether 4-O-xylosyl-(1->4)-arabinoside

Naringenin 5,7-dimethyl ether 4-O-xylosyl-(1->4)-arabinoside

C27H32O13 (564.1842822)


   

Hispidulin 7-xylosyl-(1->2)-xyloside

Hispidulin 7-xylosyl-(1->2)-xyloside

C26H28O14 (564.1478988)


   

Bruceine C

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

C28H36O12 (564.2206656000001)


Bruceine C is a natural product found in Brucea javanica with data available.

   

5-O-Primeverosylapigenin

5-O-Primeverosylapigenin

C26H28O14 (564.1478988)


   
   

Isovitexin2-O-arabinoside

6-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


Isovitexin 2-O-arabinoside is an arabinoside, a C-glycosyl compound, a disaccharide derivative and a trihydroxyflavone. It has a role as a metabolite. It is functionally related to an isovitexin. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1]. Isovitexin 2''-O-arabinoside is an inactive flavonoid in plantlets of Avena sativa L.[1].

   

Lucidinprimeveroside

1-Hydroxy-2-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione

C26H28O14 (564.1478988)


Lucidinprimeveroside is a natural product found in Rubia argyi, Rubia yunnanensis, and other organisms with data available.

   

Isoschaftoside

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]-4-chromenone

C26H28O14 (564.1478988)


Corymboside, also known as 6-arabinopyranosyl-8-galactopyranosylapigenin, 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. Corymboside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Corymboside can be found in a number of food items such as red bell pepper, carob, common wheat, and orange bell pepper, which makes corymboside a potential biomarker for the consumption of these food products. [Raw Data] CBA22_Isoschaftoside_neg_50eV_1-4_01_1416.txt [Raw Data] CBA22_Isoschaftoside_neg_40eV_1-4_01_1415.txt [Raw Data] CBA22_Isoschaftoside_neg_30eV_1-4_01_1414.txt [Raw Data] CBA22_Isoschaftoside_neg_20eV_1-4_01_1413.txt [Raw Data] CBA22_Isoschaftoside_neg_10eV_1-4_01_1366.txt [Raw Data] CBA22_Isoschaftoside_pos_50eV_1-4_01_1389.txt [Raw Data] CBA22_Isoschaftoside_pos_40eV_1-4_01_1388.txt [Raw Data] CBA22_Isoschaftoside_pos_30eV_1-4_01_1387.txt [Raw Data] CBA22_Isoschaftoside_pos_20eV_1-4_01_1386.txt [Raw Data] CBA22_Isoschaftoside_pos_10eV_1-4_01_1355.txt Isoschaftoside, a C-glycosylflavonoid from Desmodium uncinatum root exudate, can inhibit growth of germinated S. hermonthica radicles[1][2]. Isoschaftoside, a C-glycosylflavonoid from Desmodium uncinatum root exudate, can inhibit growth of germinated S. hermonthica radicles[1][2].

   
   

8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

NCGC00384957-01!8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

NCGC00180115-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O14 (564.1478988)


   

7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

NCGC00169653-02!7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

NCGC00384970-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

NCGC00179918-02!5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

C26H28O14 (564.1478988)


   

1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

NCGC00384986-01!1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

C26H28O14 (564.1478988)


   

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

NCGC00384911-01!6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

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

NCGC00384875-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one

C26H28O14 (564.1478988)


   

methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

C27H32O13 (564.1842822)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O14 (564.1478988)


   

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

NCGC00384733-01![(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H28O11 (564.1631538)


   

Apigenin-6-C-arabinoside-8-C-glucoside

Apigenin-6-C-arabinoside-8-C-glucoside

C26H28O14 (564.1478988)


   

C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside

NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   

C24H36O15_Benzyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

NCGC00384834-01_C24H36O15_Benzyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   

lucidin 3-O-beta-primveroside

lucidin 3-O-beta-primveroside

C26H28O14 (564.1478988)


   

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O14 (564.1478988)


   

5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

C26H28O14 (564.1478988)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

C26H28O14 (564.1478988)


   
   

Flavone base + 3O, O-Hex-Pen

Flavone base + 3O, O-Hex-Pen

C26H28O14 (564.1478988)


Annotation level-2

   

Flavone base + 3O, C-Hex, C-pen

Flavone base + 3O, C-Hex, C-pen

C26H28O14 (564.1478988)


Annotation level-3 Annotation level-1

   

Apigenin 6-C-glucoside 8-C-arabinoside

8-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

C26H28O14 (564.1478988)


Annotation level-1

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000848866]

NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000848866]

C26H28O14 (564.1478988)


   

methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based on: CCMSLIB00000848789]

NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based on: CCMSLIB00000848789]

C27H32O13 (564.1842822)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]

NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]

C26H28O14 (564.1478988)


   

8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]

NCGC00384957-01!8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]

C26H28O14 (564.1478988)


   

methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based: Match]

NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based: Match]

C27H32O13 (564.1842822)


   

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major

[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major

C30H28O11 (564.1631538)


   
   

Ala Cys Trp Trp

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

C28H32N6O5S (564.2154782)


   

Ala Trp Cys Trp

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

C28H32N6O5S (564.2154782)


   

Ala Trp Trp Cys

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

C28H32N6O5S (564.2154782)


   

Cys Ala Trp Trp

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

C28H32N6O5S (564.2154782)


   

Cys Glu Lys Trp

(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-4-[(2R)-2-amino-3-sulfanylpropanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Cys Glu Gln Trp

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

C24H32N6O8S (564.2002232)


   

Cys Glu Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Cys Glu Trp Gln

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Cys Lys Glu Trp

(4S)-4-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Cys Lys Trp Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Cys Gln Glu Trp

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Cys Gln Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Cys Trp Ala Trp

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

C28H32N6O5S (564.2154782)


   

Cys Trp Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Cys Trp Glu Gln

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Cys Trp Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Cys Trp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Cys Trp Trp Ala

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

C28H32N6O5S (564.2154782)


   

Asp Phe Phe His

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

C28H32N6O7 (564.2332362)


   

Asp Phe His Phe

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

C28H32N6O7 (564.2332362)


   

Asp His Phe Phe

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

C28H32N6O7 (564.2332362)


   

Asp His Met Tyr

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

C24H32N6O8S (564.2002232)


   

Asp His Tyr Met

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

C24H32N6O8S (564.2002232)


   

Asp Met 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}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H32N6O8S (564.2002232)


   

Asp Met Asn Trp

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

C24H32N6O8S (564.2002232)


   

Asp Met Trp Asn

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

C24H32N6O8S (564.2002232)


   

Asp Met 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}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H32N6O8S (564.2002232)


   

Asp Asn Met Trp

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

C24H32N6O8S (564.2002232)


   

Asp Asn Trp Met

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

C24H32N6O8S (564.2002232)


   

Asp Trp Met Asn

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

C24H32N6O8S (564.2002232)


   

Asp Trp Asn Met

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

C24H32N6O8S (564.2002232)


   

Asp Tyr His Met

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

C24H32N6O8S (564.2002232)


   

Asp Tyr Met His

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

C24H32N6O8S (564.2002232)


   

Glu Cys Lys Trp

(4S)-4-amino-4-{[(1R)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Glu Cys Gln Trp

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

C24H32N6O8S (564.2002232)


   

Glu Cys Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Glu Cys Trp Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O8S (564.2002232)


   

Glu Lys Cys Trp

(4S)-4-amino-4-{[(1S)-5-amino-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Glu Lys Trp Cys

(4S)-4-amino-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Glu Gln Cys Trp

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

C24H32N6O8S (564.2002232)


   

Glu Gln Trp Cys

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

C24H32N6O8S (564.2002232)


   

Glu Trp Cys Lys

(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Glu Trp Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C24H32N6O8S (564.2002232)


   

Glu Trp Lys Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Glu Trp Gln Cys

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

C24H32N6O8S (564.2002232)


   

Phe Asp Phe His

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

C28H32N6O7 (564.2332362)


   

Phe Asp His Phe

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

C28H32N6O7 (564.2332362)


   

Phe Phe Asp His

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

C28H32N6O7 (564.2332362)


   

Phe Phe His Asp

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

C28H32N6O7 (564.2332362)


   

Phe His Asp Phe

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

C28H32N6O7 (564.2332362)


   

Phe His Phe Asp

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

C28H32N6O7 (564.2332362)


   

Phe His Met Met

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

C25H36N6O5S2 (564.2188486)


   

Phe Met His Met

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

C25H36N6O5S2 (564.2188486)


   

Phe Met Met His

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

C25H36N6O5S2 (564.2188486)


   

Gly Tyr Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H32N4O8 (564.2220032)


   

His Asp Phe Phe

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

C28H32N6O7 (564.2332362)


   

His Asp Met Tyr

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

C24H32N6O8S (564.2002232)


   

His Asp Tyr Met

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

C24H32N6O8S (564.2002232)


   

His Phe Asp Phe

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

C28H32N6O7 (564.2332362)


   

His Phe Phe Asp

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

C28H32N6O7 (564.2332362)


   

His Phe Met Met

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

C25H36N6O5S2 (564.2188486)


   

His Met Asp Tyr

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

C24H32N6O8S (564.2002232)


   

His Met Phe Met

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

C25H36N6O5S2 (564.2188486)


   

His Met Met Phe

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

C25H36N6O5S2 (564.2188486)


   

His Met Tyr Asp

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

C24H32N6O8S (564.2002232)


   

His Tyr Asp Met

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

C24H32N6O8S (564.2002232)


   

His Tyr Met Asp

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

C24H32N6O8S (564.2002232)


   

Lys Cys Glu Trp

(4S)-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Lys Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Lys Glu Cys Trp

(4S)-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Lys Glu Trp Cys

(4S)-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Lys Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Lys Trp Glu Cys

(4S)-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-4-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Met Asp His Tyr

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

C24H32N6O8S (564.2002232)


   

Met Asp Asn Trp

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C24H32N6O8S (564.2002232)


   

Met Asp Trp Asn

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

C24H32N6O8S (564.2002232)


   

Met Asp Tyr His

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

C24H32N6O8S (564.2002232)


   

Met Phe His Met

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

C25H36N6O5S2 (564.2188486)


   

Met Phe Met His

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

C25H36N6O5S2 (564.2188486)


   

Met His Asp Tyr

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

C24H32N6O8S (564.2002232)


   

Met His Phe Met

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

C25H36N6O5S2 (564.2188486)


   

Met His Met Phe

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

C25H36N6O5S2 (564.2188486)


   

Met His Tyr Asp

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

C24H32N6O8S (564.2002232)


   

Met Met Phe His

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

C25H36N6O5S2 (564.2188486)


   

Met Met His Phe

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

C25H36N6O5S2 (564.2188486)


   

Met Asn Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H32N6O8S (564.2002232)


   

Met Asn Trp Asp

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

C24H32N6O8S (564.2002232)


   

Met Gln Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Met Gln Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Met Thr Gln Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Met Thr Trp Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Met Trp Asp Asn

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

C24H32N6O8S (564.2002232)


   

Met Trp Asn Asp

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

C24H32N6O8S (564.2002232)


   

Met Trp Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Met Trp Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Met Tyr Asp His

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

C24H32N6O8S (564.2002232)


   

Met Tyr His Asp

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

C24H32N6O8S (564.2002232)


   

Asn Asp Met Trp

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

C24H32N6O8S (564.2002232)


   

Asn Asp Trp Met

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

C24H32N6O8S (564.2002232)


   

Asn Met Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H32N6O8S (564.2002232)


   

Asn Met Trp Asp

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

C24H32N6O8S (564.2002232)


   

Asn Trp Asp Met

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

C24H32N6O8S (564.2002232)


   

Asn Trp Met Asp

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

C24H32N6O8S (564.2002232)


   

Gln Cys Glu Trp

(4S)-4-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Gln Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Gln Glu Cys Trp

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Gln Glu Trp Cys

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Gln Met Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Gln Met Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Gln Thr Met Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Gln Thr Trp Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   

Gln Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Gln Trp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Gln Trp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Gln Trp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   
   

Ser Ser Trp Trp

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

C28H32N6O7 (564.2332362)


   

Ser Trp Ser Trp

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

C28H32N6O7 (564.2332362)


   

Ser Trp Trp Ser

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

C28H32N6O7 (564.2332362)


   

Thr Met Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Thr Met Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Thr Gln Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O7S (564.2366066)


   

Thr Gln Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   

Thr Trp Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Thr Trp Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   

Trp Ala Cys Trp

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

C28H32N6O5S (564.2154782)


   

Trp Ala Trp Cys

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

C28H32N6O5S (564.2154782)


   

Trp Cys Ala Trp

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

C28H32N6O5S (564.2154782)


   

Trp Cys Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Trp Cys Glu Gln

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Trp Cys Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Trp Cys Gln Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Trp Cys Trp Ala

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

C28H32N6O5S (564.2154782)


   

Trp Asp Met Asn

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

C24H32N6O8S (564.2002232)


   

Trp Asp Asn Met

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

C24H32N6O8S (564.2002232)


   

Trp Glu Cys Lys

(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]hexanoic acid

C25H36N6O7S (564.2366066)


   

Trp Glu Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C24H32N6O8S (564.2002232)


   

Trp Glu Lys Cys

(4S)-4-{[(1S)-5-amino-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]butanoic acid

C25H36N6O7S (564.2366066)


   

Trp Glu Gln Cys

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

C24H32N6O8S (564.2002232)


   

Trp Lys Cys Glu

(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanamido]pentanedioic acid

C25H36N6O7S (564.2366066)


   

Trp Lys Glu Cys

(4S)-4-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C25H36N6O7S (564.2366066)


   

Trp Met Asp Asn

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

C24H32N6O8S (564.2002232)


   

Trp Met Asn Asp

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

C24H32N6O8S (564.2002232)


   

Trp Met Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Trp Met Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Trp Asn Asp Met

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

C24H32N6O8S (564.2002232)


   

Trp Asn Met Asp

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

C24H32N6O8S (564.2002232)


   

Trp Gln Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]pentanedioic acid

C24H32N6O8S (564.2002232)


   

Trp Gln Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C24H32N6O8S (564.2002232)


   

Trp Gln Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C25H36N6O7S (564.2366066)


   

Trp Gln Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   

Trp Ser Ser Trp

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

C28H32N6O7 (564.2332362)


   

Trp Ser Trp Ser

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

C28H32N6O7 (564.2332362)


   

Trp Thr Met Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C25H36N6O7S (564.2366066)


   

Trp Thr Gln Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O7S (564.2366066)


   

Trp Trp Ala Cys

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

C28H32N6O5S (564.2154782)


   

Trp Trp Cys Ala

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

C28H32N6O5S (564.2154782)


   

Trp Trp Ser Ser

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

C28H32N6O7 (564.2332362)


   

Tyr Asp His Met

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

C24H32N6O8S (564.2002232)


   

Tyr Asp Met His

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

C24H32N6O8S (564.2002232)


   

Tyr Gly Tyr Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H32N4O8 (564.2220032)


   

Tyr His Asp Met

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

C24H32N6O8S (564.2002232)


   

Tyr His Met Asp

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

C24H32N6O8S (564.2002232)


   

Tyr Met Asp His

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

C24H32N6O8S (564.2002232)


   

Tyr Met His Asp

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

C24H32N6O8S (564.2002232)


   

Tyr Tyr Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C29H32N4O8 (564.2220032)


   

Tyr Tyr Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C29H32N4O8 (564.2220032)


   

NSEDT

Asn-Ser-Glu-Asp-Thr

C20H32N6O13 (564.2027261999999)


   

Pelargonidin 3-lathyroside

Pelargonidin 3-lathyroside

C26H28O14 (564.1478988)


   

8-C-Glucopyranosylgenistein 6-O-apioside

8-C-Glucopyranosylgenistein 6-O-apioside

C26H28O14 (564.1478988)


   

Apigenin 8-C-[xylosyl-(1->2)-galactoside]

Apigenin 8-C-[xylosyl-(1->2)-galactoside]

C26H28O14 (564.1478988)


   

Apigenin 7-alpha-L-arabinopyranosyl-(1->6)-glucoside

Apigenin 7-alpha-L-arabinopyranosyl-(1->6)-glucoside

C26H28O14 (564.1478988)


   

Scutellarein 7-xylosyl-(1->4)rhamnoside

Scutellarein 7-xylosyl-(1->4)rhamnoside

C26H28O14 (564.1478988)


   

Kaempferol 3-xylosyl-(1->2)-rhamnoside

Kaempferol 3-xylosyl-(1->2)-rhamnoside

C26H28O14 (564.1478988)


   

KAFRP

7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1478988)


   

Kaempferol 3-rhamnoside 7-xyloside

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

C26H28O14 (564.1478988)


   

Kaempferol 3-rhamnoside 4'-xyloside

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-4H-chromen-4-one

C26H28O14 (564.1478988)


   

Lucidin-primeveroside

4-Hydroxy-3-(hydroxymethyl)-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-?-D-xylopyranosyl-?-D-glucopyranoside

C26H28O14 (564.1478988)


   
   

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

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

C32H25ClN4O4 (564.156424)


   
   
   

Diethylene glycol, ethylene glycol, isophthalic acid, maleic anhydride, dicyclopentadiene polymer

Diethylene glycol, ethylene glycol, isophthalic acid, maleic anhydride, dicyclopentadiene polymer

C28H36O12 (564.2206656000001)


   
   

(S)-3-((2R,3R,4R,5S)-5-allyl-3-hydroxy-4-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)propane-1,2-diyl dibenzoate

(S)-3-((2R,3R,4R,5S)-5-allyl-3-hydroxy-4-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)propane-1,2-diyl dibenzoate

C31H32O8S (564.1817792)


   

N-[3,5-bis(trifluoroMethyl)phenyl]-N-(8α,9S)-cinchonan-9-yl- Thiourea

N-[3,5-bis(trifluoroMethyl)phenyl]-N-(8α,9S)-cinchonan-9-yl- Thiourea

C28H26F6N4S (564.1782268000001)


   

N-[(11bS)-Dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct

N-[(11bS)-Dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct

C27H28F3N2O4PS (564.1459414000001)


   

Netupitant metabolite N-desmethyl Netupitant

Netupitant metabolite N-desmethyl Netupitant

C29H30F6N4O (564.2323682)


   

Propamidine isethionate

Propamidine isethionate

C21H32N4O10S2 (564.1559772)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

TG-02 citrate

TG-02 citrate

C29H32N4O8 (564.2220032)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

   

kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside

kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside

C26H28O14 (564.1478988)


A glycosyloxyflavone that is kaempferol attached to a alpha-L-arabinopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of Vicia faba and Lotus edulis, it exhibits inhibitory activity against topoisomerase I and II.

   
   

6-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

6-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C26H28O14 (564.1478988)


   

8-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

8-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C26H28O14 (564.1478988)


   

4,7,9-trihydroxy-1,3-dimethyl-6-(4,7,9,10-tetrahydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

4,7,9-trihydroxy-1,3-dimethyl-6-(4,7,9,10-tetrahydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

C30H28O11 (564.1631538)


   

isovitexin-7-O-xyloside

isovitexin-7-O-xyloside

C26H28O14 (564.1478988)


   

Apigenin 7-apiosyl-glucoside

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

C26H28O14 (564.1478988)


Apigenin 7-apiosyl-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Apigenin 7-apiosyl-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-apiosyl-glucoside can be found in german camomile, parsley, roman camomile, and wild celery, which makes apigenin 7-apiosyl-glucoside a potential biomarker for the consumption of these food products.

   

6-C-[2-O-alpha-L-rhamnopyranosyl-(1->2)]-beta-D-xylopyranosylluteolin

6-C-[2-O-alpha-L-rhamnopyranosyl-(1->2)]-beta-D-xylopyranosylluteolin

C26H28O14 (564.1478988)


A flavone C-glycoside that is luteolin substituted by a 2-O-alpha-L-rhamnopyranosyl-(1->2)]-beta-D-xylopyranosyl residue at positon 6. It has been isolated from the leaves and roots of Petrorhagia velutina.

   

N-[[(2R,4S)-4-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-2-formamidoacetamide

N-[[(2R,4S)-4-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-2-formamidoacetamide

C26H30Cl2N4O6 (564.15423)


   
   

(3S,4S,6S,9S)-7-carbamoyl-3,4,9,12,14-pentahydroxy-16-methoxy-1,5,5-trimethyl-6,10-dioxospiro[cyclohexene-6,18-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-8-olate

(3S,4S,6S,9S)-7-carbamoyl-3,4,9,12,14-pentahydroxy-16-methoxy-1,5,5-trimethyl-6,10-dioxospiro[cyclohexene-6,18-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-8-olate

C30H30NO10- (564.186962)


   

4-O-(6-Amino-6-deoxy-alpha-D-glucopyranosyl)-6-O-(2-O-phosphono-3-amino-3-deoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine

4-O-(6-Amino-6-deoxy-alpha-D-glucopyranosyl)-6-O-(2-O-phosphono-3-amino-3-deoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine

C18H37N4O14P (564.2043792)


   

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

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

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

C26H28O14 (564.1478988)


   

3-[[(2R,3S,4S,5R,6S)-6-[[(3R)-3-(2,4-dimethoxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

3-[[(2R,3S,4S,5R,6S)-6-[[(3R)-3-(2,4-dimethoxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C26H28O14 (564.1478988)


   

2-(hydroxymethyl)-6-[2-[(E)-[(E)-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidenehydrazinylidene]methyl]phenoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-[(E)-[(E)-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidenehydrazinylidene]methyl]phenoxy]oxane-3,4,5-triol

C26H32N2O12 (564.1955152)


   

Apigenin 6-C-galactoside 8-C-arabinoside

Apigenin 6-C-galactoside 8-C-arabinoside

C26H28O14 (564.1478988)


   
   

Apigenin 6-C-glucosyl-O-arabinoside

Apigenin 6-C-glucosyl-O-arabinoside

C26H28O14 (564.1478988)


   

6-C-[2-O-alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranosylluteolin

6-C-[2-O-alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranosylluteolin

C26H28O14 (564.1478988)


A flavone C-glycoside that is luteolin substituted by a 2-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl residue at position 6. It has been isolated from the leaves and roots of Petrorhagia velutina.

   

3S-hydrangenol 4-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside

3S-hydrangenol 4-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside

C27H32O13 (564.1842822)


A member of the class of dihydroisocoumarins that is hydrangenol attached to a 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.

   

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone

C31H36N2O6S (564.2293956000001)


   

kaempferol 3-O-beta-D-apiofuranosyl-7-O-alpha-L-rhamnopyranoside

kaempferol 3-O-beta-D-apiofuranosyl-7-O-alpha-L-rhamnopyranoside

C26H28O14 (564.1478988)


A glycosyloxyflavone that is kaempferol attached to a beta-D-apiofuranosyl group at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via a glycosidic linkage. Isolated from the aerial parts of Vicia faba and Lotus edulis, it exhibits inhibitory activity against topoisomerase II.

   

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,3S,4R)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,3S,4R)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone

C31H36N2O6S (564.2293956000001)


   

N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-1-benzopyran-4-one

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-1-benzopyran-4-one

C26H28O14 (564.1478988)


   

beta-D-Glc-(1->4)-[L-alpha-D-Hep-(1->3)]-L-alpha-D-Hep

beta-D-Glc-(1->4)-[L-alpha-D-Hep-(1->3)]-L-alpha-D-Hep

C20H36O18 (564.1901556)


   

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

2,2,2-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

2,2,2-trifluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

2,2,2-trifluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

2,2,2-trifluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

2,2,2-trifluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

(1S)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide

(1S)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide

C31H31F3N4O3 (564.2348132)


   

(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

C29H29FN4O5S (564.1842596)


   

8-[3,5-Dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

8-[3,5-Dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

C27H36N2O7S2 (564.1963826)


   

2,2,2-trifluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

2,2,2-trifluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

2,2,2-trifluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

C23H31F3N4O5S2 (564.1687872)


   

(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide

C29H29FN4O5S (564.1842596)


   

7-O-[beta-D-arabinopyranosyl-(1->6)-beta-D-glucosyl]apigenin

7-O-[beta-D-arabinopyranosyl-(1->6)-beta-D-glucosyl]apigenin

C26H28O14 (564.1478988)


A glycosyloxyflavone that is apigenin with a 6-O-beta-D-arabinopyranosyl-beta-D-glucopyranosyl moiety attached at position 7 via a glycosidic linkage.

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C26H28O14 (564.1478988)


   

Benzyl 2-O-beta-D-glucopyranosyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

Benzyl 2-O-beta-D-glucopyranosyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   

Benzyl 2-O-(D-apio-beta-D-furanosyl)-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside

Benzyl 2-O-(D-apio-beta-D-furanosyl)-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside

C24H36O15 (564.2054106)


   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C25H41O12P (564.2335516)


   

(10S)-1-hydroxy-3-methyl-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-methyl-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

C27H32O13 (564.1842822)


   

(10R)-1-hydroxy-3-methyl-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-methyl-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

C27H32O13 (564.1842822)


   

Neoshaftoside

apigenin 6-C-beta-D-glucopyranosyl-8-C-beta-L-arabinopyranoside

C26H28O14 (564.1478988)


Neoschaftoside is a flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage. It has a role as a plant metabolite. It is a flavone C-glycoside and a dihydroxyflavone. It is functionally related to an apigenin. Neoschaftoside is a natural product found in Radula complanata, Artemisia judaica, and other organisms with data available. A flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage.

   

Aerobactin

Aerobactin

C22H36N4O13 (564.2278766)


D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   
   

Kaempferol 3-rhamnoside 4-xyloside

Kaempferol 3-rhamnoside 4-xyloside

C26H28O14 (564.1478988)


   

6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)chrysoeriol

6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)chrysoeriol

C26H28O14 (564.1478988)


A flavone C-glycoside that consists of chrysoeriol carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively