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CHEBI:68200 - Libertellenone C

ChEBI IDCHEBI:68200
ChEBI NameLibertellenone C
Stars
DefinitionA natural product found in Arthrinium sacchari.
Last Modified20 May 2016
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(CO)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1
InChIInChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)14(23)15(24)16-18(3,11-21)7-6-13(22)19(16,20)4/h5,10,13,21-22,24-25H,1,6-9,11H2,2-4H3/t13-,17+,18+,19+,20-/m1/s1
InChIKeyYFSWTQQLSUEQBY-CNVPOBLBSA-N
Species of MetaboliteComponentSourceComments
Arthrinium sacchari (ncbitaxon:166626) - PubMed (21718054) EtOAc extract of fermented wheat media of marine fungus(obtained from sponge surface)
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)
Libertellenone C (CHEBI:68200) has role metabolite (CHEBI:25212)
Libertellenone C (CHEBI:68200) is a tricyclic diterpenoid (CHEBI:79084)
Synonym  Source
(1R,4R,4aR,4bS,7R)-7-ethenyl-4,4b,10-trihydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-oneChEBI
Citations