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CHEBI:224496 - Pestalotiopsin C

ChEBI IDCHEBI:224496
ChEBI NamePestalotiopsin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
SMILESCO[C@H]1[C@@H]2[C@@H](O)O[C@]3([C@H](OC(C)=O)C/C(C)=C/[C@@H]1OC)[C@H]2CC3(C)C
InChIInChI=1S/C19H30O6/c1-10-7-13(22-5)16(23-6)15-12-9-18(3,4)19(12,25-17(15)21)14(8-10)24-11(2)20/h7,12-17,21H,8-9H2,1-6H3/b10-7+/t12-,13-,14+,15+,16+,17-,19-/m0/s1
InChIKeyAAWDEFFPMVTDSD-NIJOSNCTSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/s0031-9422(97)00285-9)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin C (CHEBI:224496) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R,2R,4E,6S,7S,8R,9S,13S)-13-hydroxy-6,7-dimethoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl] acetate
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78438287ChemSpider