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CHEBI:177894 - clavaphyllene

ChEBI IDCHEBI:177894
ChEBI Nameclavaphyllene
Stars
DefinitionA sesterterpene that is produced by a fungal chimeric terpene synthase, PTTS051.
Last Modified20 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12CC/C(C)=C/CCC(=C)[C@@]1([H])C[C@@]2(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H40/c1-19(2)10-7-11-20(3)13-9-17-25(6)18-23-22(5)14-8-12-21(4)15-16-24(23)25/h10,12-13,23-24H,5,7-9,11,14-18H2,1-4,6H3/b20-13+,21-12+/t23-,24-,25-/m1/s1
InChIKeyKEWHXPJNBRKPIV-YCRSHSPUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (34257153)
Aspergillus clavatus (ncbitaxon:5057) - PubMed (23324037)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
clavaphyllene (CHEBI:177894) has role Aspergillus metabolite (CHEBI:76956)
clavaphyllene (CHEBI:177894) has role fungal metabolite (CHEBI:76946)
clavaphyllene (CHEBI:177894) is a carbobicyclic compound (CHEBI:36785)
clavaphyllene (CHEBI:177894) is a polycyclic olefin (CHEBI:35714)
clavaphyllene (CHEBI:177894) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,4E,9S,11R)-11-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-4,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Citations