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CHEBI:226831 - Pestalotiopsin I

ChEBI IDCHEBI:226831
ChEBI NamePestalotiopsin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O6
Net Charge0
Average Mass340.416
Monoisotopic Mass340.18859
SMILESCO[C@H]1[C@H](O)[C@H]2C3O[C@@]4([C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]31)[C@@H]2CC4(C)C
InChIInChI=1S/C18H28O6/c1-8(19)23-10-7-17(4,21)12-14-11(13(20)15(12)22-5)9-6-16(2,3)18(9,10)24-14/h9-15,20-21H,6-7H2,1-5H3/t9-,10+,11+,12+,13-,14?,15-,17-,18-/m1/s1
InChIKeyHVSFSKJYOSGVCJ-COVJTFQTSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis (ncbitaxon:1562292) - DOI (10.1016/j.tet.2019.130530)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin I (CHEBI:226831) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,4R,5S,6R,7R,8S,9R,11S,13S)-6,9-dihydroxy-7-methoxy-2,2,9-trimethyl-12-oxatetracyclo[6.3.2.01,4.05,13]tridecan-11-yl] acetate
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78315793ChemSpider