15-O-acetylbruceolide (CHEBI:65530)

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CHEBI:65530 - 15-O-acetylbruceolide

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ChEBI ID	CHEBI:65530
ChEBI Name	15-O-acetylbruceolide
Stars
ASCII Name	15-O-acetylbruceolide
Definition	A quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
Last Modified	27 May 2015
Downloads	Molfile

Formula	C23H28O11
Net Charge	0
Average Mass	480.466
Monoisotopic Mass	480.16316
SMILES	[H][C@]12[C@@H](O)[C@H](O)[C@]3(C(=O)OC)OC[C@]14[C@@]3([H])[C@@H](OC(C)=O)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=C(O)C(=O)C[C@]21C
InChI	InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23+/m0/s1
InChIKey	YDWODLQEUPYKGJ-MUVFDYEFSA-N

Species of Metabolite	Component	Source	Comments
Brucea javanica (ncbitaxon:210348)	fruit (BTO:0000486)	DOI (10.1016/S1383-5769(99)00023-9)
Brucea sumatrana (IPNI:813620-1)	-	Article (DUOC HOC, 1979,4,15)

Roles Classification

Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:	antifeedant A substance that prevents pests from feeding.

ChEBI Ontology

Outgoing Relation(s)
	15-O-acetylbruceolide (CHEBI:65530) has functional parent bruceolide (CHEBI:65529)
	15-O-acetylbruceolide (CHEBI:65530) has role antifeedant (CHEBI:22583)
	15-O-acetylbruceolide (CHEBI:65530) has role plant metabolite (CHEBI:76924)
	15-O-acetylbruceolide (CHEBI:65530) is a acetate ester (CHEBI:47622)
	15-O-acetylbruceolide (CHEBI:65530) is a cyclic ether (CHEBI:37407)
	15-O-acetylbruceolide (CHEBI:65530) is a enol (CHEBI:33823)
	15-O-acetylbruceolide (CHEBI:65530) is a enone (CHEBI:51689)
	15-O-acetylbruceolide (CHEBI:65530) is a methyl ester (CHEBI:25248)
	15-O-acetylbruceolide (CHEBI:65530) is a organic heteropentacyclic compound (CHEBI:38164)
	15-O-acetylbruceolide (CHEBI:65530) is a quassinoid (CHEBI:72485)
	15-O-acetylbruceolide (CHEBI:65530) is a triol (CHEBI:27136)
	15-O-acetylbruceolide (CHEBI:65530) is a δ-lactone (CHEBI:18946)

Synonym	Source
brucein B	ChEBI

Registry Numbers	Sources
Reaxys:9173717	Reaxys

Citations