Exact Mass: 565.1503592

An anthocyanidin 3-O-beta-D-sambubioside having pelargonidin as the anthocyanidin component.

AGN-PC-0JRAP3

11-O-Demethyl-7-methoxypradimicinone II

Pradimicinone II

7-Hydroxybenanomicinone

C28H37BrClNO4 (565.1594332000001)

N-Acetyl-N6,O-didemethylpuromycin-5-phosphate

C22H28N7O9P (565.1686048)

Glutamine glutamate aspartate

4,12-diamino-3,6,9,13-tetraoxo-1,2,7,8-tetraoxacyclotridecan-4-yl 2-amino-5-[(2-amino-4-carbamoylbutanoyl)peroxy]-5-oxopentanoate

C19H27N5O15 (565.1503592)

Pelargonidin 3-O-[b-D-Xylopyranosyl-(1->2)-a-D-glucopyranoside]

3-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C26H29O14 (565.1557233999999)

Pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] can be found in a number of food items such as redcurrant, black chokeberry, blackcurrant, and black elderberry, which makes pelargonidin 3-o-[b-d-xylopyranosyl-(1->2)-a-d-glucopyranoside] a potential biomarker for the consumption of these food products.

Pelargonidin 3-lathyroside

3- [ 2-O- (beta-D-Xylopyranosyl) -beta-D-galactopyranosyloxy ] -5,7-dihydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium

C26H29O14 (565.1557233999999)

Cyanidin 3-(6-malylglucoside)

7-Hydroxy-2- (3,4-dihydroxyphenyl) -3- [ [ 6-O- (2,4-dihydroxy-1,4-dioxobutyl) -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium

C25H25O15 (565.11934)

A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium amphipolaria

Vatiamide B

Cys Glu Glu Trp

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

Cys Glu Trp Glu

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

Cys Trp Glu Glu

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

Asp Asp Met Trp

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

Asp Asp Trp Met

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

Asp Met Asp Trp

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

Asp Met Trp Asp

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

Asp Trp Asp Met

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

Asp Trp Met Asp

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

Glu Cys Glu Trp

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

Glu Cys Trp Glu

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

Glu Glu Cys Trp

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

Glu Glu Trp Cys

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

Glu Trp Cys Glu

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

Glu Trp Glu Cys

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

Met Asp Asp Trp

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

Met Asp Trp Asp

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

Met Trp Asp Asp

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

7-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649392)

8-Hydroxyprochlorperazine glucuronide

C26H32ClN3O7S (565.1649392)

Trp Cys Glu Glu

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

Trp Asp Asp Met

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

Trp Asp Met Asp

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

Trp Glu Cys Glu

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

Trp Glu Glu Cys

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

Trp Met Asp Asp

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

C28H28N3O6PS (565.1436358000001)

Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium

C24H34N2O7Rh (565.1420924)

1,1-[6-(pyren-2-yl)-1,3,5-triazine-2,4-diyl]bis(2-naphthol)

C39H23N3O2 (565.1790178)

Benzenesulfonamide,4-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]amino]ethyl]-

C25H31N3O6S3 (565.1374906)

O,O-Diethylphosphoryl (Z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminoacetate

THZ1 2HCl

C31H28ClN7O2 (565.1992898)

Ertugliflozin L-pyroglutamic acid

C27H32ClNO10 (565.1714642000001)

1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(cyclohexylamino)-1,2-diphenylethyl)thiourea

C29H29F6N3S (565.1986266)

Fmoc-Cys(tBu)-Opfp

C28H24F5NO4S (565.1346124)

Pelargonidin 3-O-sambubioside

(4,12-Diamino-3,6,9,13-tetraoxo-1,2,7,8-tetraoxacyclotridec-4-yl) 2-amino-5-(2,5-diamino-5-oxopentanoyl)peroxy-5-oxopentanoate

C19H27N5O15 (565.1503592)

Lonijaposide D

C26H31NO13 (565.1795316)

A natural product found in Lonicera japonica.

Pelargonidin 3-lathyroside

Prochlorperazine mesylate

C22H32ClN3O6S3 (565.1141682)

Petunidin 3-(6-malonylglucoside)

C25H25O15+ (565.11934)

Pelargonidin 3-sambubioside

11-O-Demethyl-7-methoxypradimicinone II

C31H35NO5S2 (565.1956540000001)

ST 25:7;O7;Tau

C27H35NO10S (565.198157)

A-317491

C33H27NO8 (565.1736582000001)

A-317491 is a potent, selective and non-nucleotide antagonist of P2X3 and P2X2/3 receptors, with Kis of 22, 22, 9, and 92 nM for hP2X3, rP2X3, hP2X2/3, and rP2X2/3, respectively. A-317491 is highly selective (IC50>10 μM) over other P2 receptors and other neurotransmitter receptors, ion channels, and enzymes. A-317491 reduces inflammatory and neuropathic pain by blocking P2X3 and P2X2/3 receptor-mediated calcium flux[1][2].

NB-598 (Maleate)

NB-598 Maleate is a potent and competitive inhibitor of squalene epoxidase (SE), and suppresses triglyceride biosynthesis through the farnesol pathway. NB-598 (Maleate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Cyanidin 3-(6'-malylglucoside)

C25H25O15 (565.11934)

Petunidin 3-(6'-malonylglucoside)

C25H25O15 (565.11934)

10,11-dihydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

2-({[(5s,6s)-1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl](hydroxy)methylidene}amino)propanoic acid

2-({[(5s,6s)-1,5,6,7,9,14-hexahydroxy-11-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl](hydroxy)methylidene}amino)propanoic acid

2-(1-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-2-hydroxy-1-(oxiran-2-yl)ethyl)-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione

(2s,7as,11as,12s)-5,6,7a,8,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,10-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

C29H27NO11 (565.1584032000001)

angucycline

{"Ingredient_id": "HBIN016127","Ingredient_name": "angucycline","Alias": "NA","Ingredient_formula": "C29H27NO11","Ingredient_Smile": "CC(=O)OCC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C5C(=NC=C4C3=O)CCCC5=O)O)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-3-[2-(4-hydroxyphenyl)ethyl]benzo[e]indole-2,5-dione

C32H23NO9 (565.1372748)

3-{[(2s,5r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C26H29O14]+ (565.1557233999999)

3-carboxy-5-[(1e)-2-[(2s,3r,4s)-5-carboxylato-3-ethenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-pyran-4-yl]ethenyl]-1-(3-carboxypropyl)pyridin-1-ium

C26H31NO13 (565.1795316)

(10s,11r,12r,13s,14r)-10,11-dihydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

2-({[(10s,11s)-2,5,10,13,17,19-hexahydroxy-11-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

2-({[(10s,11s)-2,5,10,13,17,19-hexahydroxy-11-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

5,6,7a,10,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,8-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

(2s,7as,11as,12s)-5,6,7a,10,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,8-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid

(9z)-9-[amino(hydroxy)methylidene]-5,6,7a,11a,12-pentahydroxy-3-methoxy-2',6',6'-trimethyl-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-7,8,10-trione

5,6,7a,8,11a,12-hexahydroxy-3-methoxy-2',6',6'-trimethyl-7,10-dioxo-11,12-dihydro-1h-spiro[cyclohexa[k]aceanthrylene-2,1'-cyclohexan]-2'-ene-9-carboximidic acid