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CHEBI:226834 - Pestalotiopsin J

ChEBI IDCHEBI:226834
ChEBI NamePestalotiopsin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
SMILESCO[C@@H]1O[C@@]23[C@@H](OC(C)=O)C/C(C)=C/[C@@H](OC)[C@H](O)[C@@H]1[C@H]2CC3(C)C
InChIInChI=1S/C19H30O6/c1-10-7-13(22-5)16(21)15-12-9-18(3,4)19(12,25-17(15)23-6)14(8-10)24-11(2)20/h7,12-17,21H,8-9H2,1-6H3/b10-7+/t12-,13-,14+,15+,16+,17-,19-/m1/s1
InChIKeyXMUCKWGYMWWWKP-HLHYQNRCSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis (ncbitaxon:1562292) - DOI (10.1016/j.tet.2019.130530)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin J (CHEBI:226834) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2S,4E,6R,7R,8S,9R,13R)-7-hydroxy-6,13-dimethoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl] acetate
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78315794ChemSpider