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CHEBI:209965 - Pestynol

ChEBI IDCHEBI:209965
ChEBI NamePestynol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESC=C(C#CC1=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H30O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-13-18(22)20(24)21(25)19(17)23/h7,9,13,18-25H,4-6,8,10H2,1-3H3/b15-9+/t18-,19-,20-,21-/m1/s1
InChIKeyCADYTUXNRNXAES-NYJGJKORSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (29975062)
ChEBI Ontology
Outgoing Relation(s)
Pestynol (CHEBI:209965) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,3R,4R)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dien-1-ynyl]cyclohex-5-ene-1,2,3,4-tetrol
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78439112ChemSpider