2''-acetylpetiolaroside (CHEBI:67932)

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CHEBI:67932 - 2''-acetylpetiolaroside

ChEBI ID	CHEBI:67932
ChEBI Name	2''-acetylpetiolaroside
Stars
Definition	A quercetin O-glucoside that is the 2''-acetyl derivative of petiolaroside. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
Last Modified	25 November 2013
Downloads	Molfile

Formula	C29H32O17
Net Charge	0
Average Mass	652.558
Monoisotopic Mass	652.16395
SMILES	CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(41-9)43-12-6-15(34)18-16(7-12)44-25(11-3-4-13(32)14(33)5-11)26(21(18)37)46-29-27(42-10(2)31)23(39)20(36)17(8-30)45-29/h3-7,9,17,19-20,22-24,27-30,32-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27+,28-,29-/m0/s1
InChIKey	RZRIJLLGEUPKNZ-BIENJXGCSA-N

Species of Metabolite	Component	Source	Comments
Delphinium staphisagria (ncbitaxon:104301)	aerial part (BTO:0001658)	PubMed (21466157)	80% ethanolic extract of chopped fresh plant

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application:

trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

ChEBI Ontology

Outgoing Relation(s)
	2''-acetylpetiolaroside (CHEBI:67932) has functional parent petiolaroside (CHEBI:67931)
	2''-acetylpetiolaroside (CHEBI:67932) has functional parent α-L-rhamnopyranose (CHEBI:27907)
	2''-acetylpetiolaroside (CHEBI:67932) has role metabolite (CHEBI:25212)
	2''-acetylpetiolaroside (CHEBI:67932) has role plant metabolite (CHEBI:76924)
	2''-acetylpetiolaroside (CHEBI:67932) has role trypanocidal drug (CHEBI:36335)
	2''-acetylpetiolaroside (CHEBI:67932) is a acetate ester (CHEBI:47622)
	2''-acetylpetiolaroside (CHEBI:67932) is a quercetin O-glucoside (CHEBI:64621)
	2''-acetylpetiolaroside (CHEBI:67932) is a trihydroxyflavone (CHEBI:27116)
	2''-acetylpetiolaroside (CHEBI:67932) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:21451711	Reaxys

Citations