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

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ChEBI Name 6-epi-clusianone, (rel)-
ChEBI ID CHEBI:70325
Definition A natural product found in Rheedia edulis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H42O4
Net Charge 0
Average Mass 502.68420
Monoisotopic Mass 502.30831
InChI InChI=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
InChIKey JXKKYQPCNJMAHZ-BJEYHHSBSA-N
SMILES CC(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
Metabolite of Species Details
Rheedia edulis (NCBI:txid156481) Found in seed (BTO:0001226). MeOH extract of powdered seeds 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.
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ChEBI Ontology
Outgoing 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-dione ChEBI
Manual Xref Database
23326959 ChemSpider
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Citation Waiting for Citations Type Source
21028890 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monoterpenoid(CHEBI:25409); ISA:acetophenones(CHEBI:22187); ISA:m-quinone(CHEBI:25099); ISA:aromatic ketone(CHEBI:76224); ISA:carbonyl compound(CHEBI:36586); ISA:cyclohexanones(CHEBI:23482); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352);