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CHEBI:138048 - stellata-2,6,19-triene

Default Structure
ChEBI IDCHEBI:138048
ChEBI Namestellata-2,6,19-triene
Stars
DefinitionA tricyclic sesterterpene with formula C25H40 that is obtained from Aspergillus stellatus.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12CC/C(C)=C/CC/C(C)=C/C[C@@]1(C)CC[C@]1([H])[C@@H](C(=C)C)CC[C@@]21C
InChIInChI=1S/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1
InChIKeyJFQLHYSXZPELNV-LNYIGJDBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - PubMed (28673978)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
stellata-2,6,19-triene (CHEBI:138048) has role fungal metabolite (CHEBI:76946)
stellata-2,6,19-triene (CHEBI:138048) is a carbotricyclic compound (CHEBI:38032)
stellata-2,6,19-triene (CHEBI:138048) is a polycyclic olefin (CHEBI:35714)
stellata-2,6,19-triene (CHEBI:138048) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(3S,3aR,5aR,7E,11E,14aR,14bR)-5a,8,12,14b-tetramethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene
UniProt Name  Source
stellata-2,6,19-trieneUniProt
Manual XrefsDatabases
CPD-18553MetaCyc
Registry NumbersSources
Reaxys:28601869Reaxys
Citations