CHEBI:67891 - ferruginene A, (rel)-

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ChEBI Name ferruginene A, (rel)-
ChEBI ID CHEBI:67891
Definition A natural product found in Rhododendron ferrugineum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=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
InChIKey VEMLNKJUTGWLOB-GKZIPKGRSA-N
SMILES [H][C@]12Oc3cc(C)cc(O)c3[C@@]1([H])[C@@H](CC[C@]2(C)O)C(=C)CCC(O)C(C)=C
Metabolite of Species Details
Rhododendron ferrugineum (NCBI:txid49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-diol ChEBI
Citation Waiting for Citations Type Source
21443171 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:hydroxytoluene(CHEBI:24751); ISA:toluenes(CHEBI:27024); ISA:aromatic ether(CHEBI:35618); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:aromatic alcohol(CHEBI:33854);