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CHEBI:68196 - Libertellenone E

ChEBI IDCHEBI:68196
ChEBI NameLibertellenone E
Stars
DefinitionA natural product found in Arthrinium sacchari.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC=C[C@]1(C)C=C2C(=O)C3=C4[C@@](C)(CC[C@@H](O)[C@]4(C)[C@@]2(O)CC1)[C@@H](O)O3
InChIInChI=1S/C20H26O5/c1-5-17(2)8-9-20(24)11(10-17)13(22)14-15-18(3,16(23)25-14)7-6-12(21)19(15,20)4/h5,10,12,16,21,23-24H,1,6-9H2,2-4H3/t12-,16+,17+,18-,19+,20-/m1/s1
InChIKeyHLWYVYSGPCXCSB-ROEDYFHJSA-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 E (CHEBI:68196) has role metabolite (CHEBI:25212)
Libertellenone E (CHEBI:68196) is a dihydrofuran (CHEBI:51659)
Synonym  Source
(1beta,13alpha,18S)-1,9,18-Trihydroxy-6,18-epoxypimara-5,8(14),15-trien-7-oneChEBI
Citations