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CHEBI:69349 - mitchellene A

ChEBI IDCHEBI:69349
ChEBI Namemitchellene A
Stars
DefinitionA sesquiterpene lactone isolated from the leaves of Eremophila mitchellii.
Last Modified15 January 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@]12CC=C3C(=O)O[C@]4([H])[C@H](C)[C@@]([H])(CC[C@@]1(C)O)[C@@]2([H])[C@]34[H]
InChIInChI=1S/C15H20O3/c1-7-8-5-6-15(2,17)10-4-3-9-12(11(8)10)13(7)18-14(9)16/h3,7-8,10-13,17H,4-6H2,1-2H3/t7-,8-,10-,11-,12+,13-,15-/m1/s1
InChIKeyFPWZOYNGIYQUAS-AYTANIIVSA-N
Species of MetaboliteComponentSourceComments
Eremophila mitchellii (IPNI:585196-1) leaf (BTO:0000713) PubMed (21877688) n-Hexane,Methylene dichloride and methanolic extarct of airdried and ground leaves
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.
ChEBI Ontology
Outgoing Relation(s)
mitchellene A (CHEBI:69349) has role plant metabolite (CHEBI:76924)
mitchellene A (CHEBI:69349) is a organic heterotetracyclic compound (CHEBI:38163)
mitchellene A (CHEBI:69349) is a sesquiterpene lactone (CHEBI:37667)
mitchellene A (CHEBI:69349) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
rel-(4aR,5R,7aS,8R,8aR,8bR,8cS)-5-hydroxy-5,8-dimethyl-4,4a,5,6,7,7a,8,8a,8b,8c-decahydro-2H-acenaphtho[1,8-bc]furan-2-one
Registry NumbersSources
Reaxys:21902565Reaxys
Citations