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CHEBI:226839 - Pestalotiopsin K

ChEBI IDCHEBI:226839
ChEBI NamePestalotiopsin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O5
Net Charge0
Average Mass322.401
Monoisotopic Mass322.17802
SMILESC=C1C[C@H](OC(C)=O)[C@]23OC4[C@H]([C@@H](O)[C@H](OC)[C@@H]14)[C@H]2CC3(C)C
InChIInChI=1S/C18H26O5/c1-8-6-11(22-9(2)19)18-10(7-17(18,3)4)13-14(20)16(21-5)12(8)15(13)23-18/h10-16,20H,1,6-7H2,2-5H3/t10-,11+,12+,13+,14-,15?,16-,18-/m1/s1
InChIKeyMCQOBBWAJGIGER-KFZIZELXSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis (ncbitaxon:1562292) - DOI (10.1016/j.tet.2019.130530)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin K (CHEBI:226839) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,4R,5S,6R,7R,8S,11S,13S)-6-hydroxy-7-methoxy-2,2-dimethyl-9-methylidene-12-oxatetracyclo[6.3.2.01,4.05,13]tridecan-11-yl] acetate
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78315795ChemSpider