CHEBI:68200 - Libertellenone C

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ChEBI Name Libertellenone C
ChEBI ID CHEBI:68200
Definition A natural product found in Arthrinium sacchari.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.43330
Monoisotopic Mass 348.19367
InChI InChI=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
InChIKey YFSWTQQLSUEQBY-CNVPOBLBSA-N
SMILES C[C@@]1(CC[C@@]2(O)C(=C1)C(=O)C(O)=C1[C@](C)(CO)CC[C@@H](O)[C@]21C)C=C
Metabolite of Species Details
Arthrinium sacchari (NCBI:txid166626) EtOAc extract of fermented wheat media of marine fungus(obtained from sponge surface) 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 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-one ChEBI
Citation Waiting for Citations Type Source
21718054 PubMed citation Europe PMC
Last Modified
20 May 2016
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:enol(CHEBI:33823); ISA:primary alcohol(CHEBI:15734);