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CHEBI:69351 - mitchellene C

ChEBI IDCHEBI:69351
ChEBI Namemitchellene C
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@]12[C@]3([H])[C@]4(O)C=C[C@@]1([H])[C@@H](C)CC[C@]2([H])[C@@H](C)[C@@]3([H])OC4=O
InChIInChI=1S/C15H20O3/c1-7-3-4-10-8(2)13-12-11(10)9(7)5-6-15(12,17)14(16)18-13/h5-13,17H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,13+,15+/m0/s1
InChIKeyFWQDEFVNOHRDKU-BUOBCXDUSA-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 C (CHEBI:69351) has role plant metabolite (CHEBI:76924)
mitchellene C (CHEBI:69351) is a organic heterotetracyclic compound (CHEBI:38163)
mitchellene C (CHEBI:69351) is a sesquiterpene lactone (CHEBI:37667)
mitchellene C (CHEBI:69351) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
rel-(2aR,4aR,5S,7aS,8R,8aR,8bS,8cR)-2a-hydroxy-5,8-dimethyl-2a,4a,5,6,7,7a,8,8a,8b,8c-decahydro-2H-acenaphtho[1,8-bc]furan-2-one
Registry NumbersSources
Reaxys:21902563Reaxys
Citations