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CHEBI:69350 - mitchellene B

ChEBI IDCHEBI:69350
ChEBI Namemitchellene B
Stars
DefinitionA sesquiterpene lactone isolated from the leaves of Eremophila mitchellii.
Last Modified15 January 2014
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILES[H][C@@]12C3=CC[C@@]4([H])[C@@H](C)CC[C@]([H])([C@@H](C)[C@@]1([H])OC3=O)[C@@]24[H]
InChIInChI=1S/C15H20O2/c1-7-3-4-10-8(2)14-13-11(15(16)17-14)6-5-9(7)12(10)13/h6-10,12-14H,3-5H2,1-2H3/t7-,8+,9-,10+,12-,13-,14+/m0/s1
InChIKeyBFNUVKSKPNBQRT-IGLSZRPSSA-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 B (CHEBI:69350) has role plant metabolite (CHEBI:76924)
mitchellene B (CHEBI:69350) is a organic heterotetracyclic compound (CHEBI:38163)
mitchellene B (CHEBI:69350) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(4aS,5S,7aS,8R,8aR,8bR,8cS)-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:21902562Reaxys
Citations