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CHEBI:216714 - Pestalotiopsin N

ChEBI IDCHEBI:216714
ChEBI NamePestalotiopsin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C[C@@H](O)C=C(CO)[C@H]2CC(C)(C)[C@]2(O)CC1
InChIInChI=1S/C15H24O3/c1-10-4-5-15(18)13(8-14(15,2)3)11(9-16)7-12(17)6-10/h6-7,12-13,16-18H,4-5,8-9H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyOTLZLFJZXZSMLZ-NFAWXSAZSA-N
Species of MetaboliteComponentSourceComments
Seiridium (ncbitaxon:138063) - DOI (10.1016/j.tet.2020.131197)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin N (CHEBI:216714) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,6R,9R)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-4,7-diene-1,6-diol