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CHEBI:70325 - 6-epi-clusianone, (rel)-

ChEBI IDCHEBI:70325
ChEBI Name6-epi-clusianone, (rel)-
Stars
DefinitionA natural product found in Rheedia edulis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H42O4
Net Charge0
Average Mass502.695
Monoisotopic Mass502.30831
SMILESCC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C
InChIInChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,35H,15,18-20H2,1-8H3/t25-,32-,33+/m1/s1
InChIKeyJXKKYQPCNJMAHZ-BJEYHHSBSA-N
Species of MetaboliteComponentSourceComments
Rheedia edulis (ncbitaxon:156481) seed (BTO:0001226) PubMed (21028890) MeOH extract of powdered seeds
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)
6-epi-clusianone, (rel)- (CHEBI:70325) has role metabolite (CHEBI:25212)
6-epi-clusianone, (rel)- (CHEBI:70325) is a monoterpenoid (CHEBI:25409)
Synonym  Source
rel-(1R,5R,7R)-3-benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dioneChEBI
Manual XrefsDatabases
23326959ChemSpider
Citations