inunolide (CHEBI:142465)

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ChEBI Name	inunolide

ChEBI ID	CHEBI:142465

Definition	A germacranolide isolated from Inula racemosa, Rudbeckia laciniata and Stevia polyphylla.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O2

Net Charge

Average Mass

232.319

Monoisotopic Mass

232.14633

InChI

InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,13-14H,3-5,8-9H2,1-2H3/b10-7+,11-6+/t13-,14-/m1/s1

InChIKey

BBMLTTOFEBDQIR-BQULMBIYSA-N

SMILES

C1[C@]2([C@](CC(=CCCC(=C1)C)C)([H])OC(C2=C)=O)[H]

Metabolite of Species	Details
Stevia polyphylla (IPNI:251515-1)	Found in aerial part (BTO:0001658). See: Zdero, C., Bohlmann, F., King, R.M. and Robinson, H. (1988) The first 12.8β-germacrolide and other constituents from bolivian Stevia species. Phytochemistry, 27(9), 2835-2842.
Inula racemosa (NCBI:txid483693)	See: PubMed
Rudbeckia laciniata (NCBI:txid52310)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	inunolide (CHEBI:142465) has functional parent 8β-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142464) inunolide (CHEBI:142465) has role plant metabolite (CHEBI:76924) inunolide (CHEBI:142465) is a germacranolide (CHEBI:73011)

IUPAC Name

(3aR,5E,9E,11aR)-6,10-dimethyl-3-methylene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one

Synonym	Source
inunolide	UniProt

Registry Number	Type	Source
22617-75-0	CAS Registry Number	KNApSAcK

Last Modified

11 December 2018