EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67891 - ferruginene A, (rel)-

ChEBI IDCHEBI:67891
ChEBI Nameferruginene A, (rel)-
Stars
DefinitionA natural product found in Rhododendron ferrugineum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILES[H][C@]12Oc3cc(C)cc(O)c3[C@@]1([H])[C@H](C(=C)CCC(O)C(=C)C)CC[C@]2(C)O
InChIInChI=1S/C22H30O4/c1-12(2)16(23)7-6-14(4)15-8-9-22(5,25)21-19(15)20-17(24)10-13(3)11-18(20)26-21/h10-11,15-16,19,21,23-25H,1,4,6-9H2,2-3,5H3/t15-,16?,19+,21-,22-/m0/s1
InChIKeyVEMLNKJUTGWLOB-GKZIPKGRSA-N
Species of MetaboliteComponentSourceComments
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves
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 A, (rel)- (CHEBI:67891) has role metabolite (CHEBI:25212)
ferruginene A, (rel)- (CHEBI:67891) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
rel-(5aS,6S,9R,9aR)-9-(5-Hydroxy-6-methyl-1,6-heptadien-2-yl)-3,6-dimethyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-1,6-diolChEBI
Citations