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CHEBI:67893 - ferruginene C

ChEBI IDCHEBI:67893
ChEBI Nameferruginene C
Stars
DefinitionA natural product found in Rhododendron ferrugineum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESC=C(C)C(O)CCC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O
InChIInChI=1S/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1
InChIKeyLQECQNLKIZLVSL-PAMZHZACSA-N
Species of MetaboliteComponentSourceComments
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves(DIASTEREOMERIC MIXTURE AT C-5')
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ferruginene C (CHEBI:67893) has role metabolite (CHEBI:25212)
ferruginene C (CHEBI:67893) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
2-[(1R,6R)-6-(5-Hydroxy-6-methyl-1,6-heptadien-2-yl)-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzenediolChEBI
Citations