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CHEBI:189069 - preterpestacin I

ChEBI IDCHEBI:189069
ChEBI Namepreterpestacin I
Stars
DefinitionA sesterterpenoid that has been characterized as the product of Bipolaris maydis BmTS3.
Last Modified24 January 2022
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H42O
Net Charge0
Average Mass358.610
Monoisotopic Mass358.32357
SMILES[H][C@]12C/C=C(\C)[C@@H](O)CC/C(C)=C/CC/C(C)=C/C[C@]1(C)CC[C@H]2C(C)C
InChIInChI=1S/C25H42O/c1-18(2)22-15-17-25(6)16-14-20(4)9-7-8-19(3)10-13-24(26)21(5)11-12-23(22)25/h8,11,14,18,22-24,26H,7,9-10,12-13,15-17H2,1-6H3/b19-8+,20-14+,21-11+/t22-,23+,24-,25+/m0/s1
InChIKeyMGRJONRALKLFBS-YBSCOXHPSA-N
Species of MetaboliteComponentSourceComments
Bipolaris maydis (ncbitaxon:5016) - DOI (10.1021/acs.orglett.7b03418) Strain: BmTS3
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)
preterpestacin I (CHEBI:189069) has role fungal metabolite (CHEBI:76946)
preterpestacin I (CHEBI:189069) is a carbobicyclic compound (CHEBI:36785)
preterpestacin I (CHEBI:189069) is a secondary allylic alcohol (CHEBI:134396)
preterpestacin I (CHEBI:189069) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(3S,3aR,5E,7S,10E,14E,16aS)-6,10,14,16a-tetramethyl-3-(propan-2-yl)-1,2,3,3a,4,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulen-7-ol
Citations