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CHEBI:209203 - (+)-6-O-demethylpestalotiopsin A

ChEBI IDCHEBI:209203
ChEBI Name(+)-6-O-demethylpestalotiopsin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O6
Net Charge0
Average Mass326.389
Monoisotopic Mass326.17294
SMILESCC(=O)O[C@H]1C/C(C)=C/[C@@H](O)[C@H](O)[C@H]2[C@H](O)O[C@]13[C@@H]2CC3(C)C
InChIInChI=1S/C17H26O6/c1-8-5-11(19)14(20)13-10-7-16(3,4)17(10,23-15(13)21)12(6-8)22-9(2)18/h5,10-15,19-21H,6-7H2,1-4H3/b8-5+/t10-,11-,12+,13+,14+,15-,17-/m1/s1
InChIKeyAEAPRSLZIGMPLR-MXVGQFIFSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - PubMed (24878335)
ChEBI Ontology
Outgoing Relation(s)
(+)-6-O-demethylpestalotiopsin A (CHEBI:209203) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2S,4E,6R,7R,8S,9R,13R)-6,7,13-trihydroxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl] acetate
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32674943ChemSpider