multifidol glucoside (CHEBI:68339)

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CHEBI:68339 - multifidol glucoside

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ChEBI ID	CHEBI:68339
ChEBI Name	multifidol glucoside
Stars
Definition	A monosaccharide derivative that consists of multifidol attached to a β-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii, it exhibits anti-inflammatory activity.
Last Modified	2 September 2013
Downloads	Molfile

Formula	C17H24O9
Net Charge	0
Average Mass	372.370
Monoisotopic Mass	372.14203
SMILES	CC[C@H](C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C17H24O9/c1-3-7(2)13(21)12-9(20)4-8(19)5-10(12)25-17-16(24)15(23)14(22)11(6-18)26-17/h4-5,7,11,14-20,22-24H,3,6H2,1-2H3/t7-,11+,14+,15-,16+,17+/m0/s1
InChIKey	MMJKSUJYDHTZJV-WVSKRKQGSA-N

Species of Metabolite	Component	Source	Comments
Acacia mearnsii (ncbitaxon:139012)	bark (BTO:0001301)	PubMed (21192716)	Spray-dried aqueous extract of bark

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. cyclooxygenase 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
Application:	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology

Outgoing Relation(s)
	multifidol glucoside (CHEBI:68339) has functional parent multifidol (CHEBI:7020)
	multifidol glucoside (CHEBI:68339) has role anti-inflammatory agent (CHEBI:67079)
	multifidol glucoside (CHEBI:68339) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
	multifidol glucoside (CHEBI:68339) has role metabolite (CHEBI:25212)
	multifidol glucoside (CHEBI:68339) is a butanone (CHEBI:22951)
	multifidol glucoside (CHEBI:68339) is a monosaccharide derivative (CHEBI:63367)
	multifidol glucoside (CHEBI:68339) is a resorcinols (CHEBI:33572)
	multifidol glucoside (CHEBI:68339) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
3,5-dihydroxy-2-[(2S)-2-methylbutanoyl]phenyl β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:6983743	Reaxys

Citations