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CHEBI:198116 - Wortmannilactone I1

ChEBI IDCHEBI:198116
ChEBI NameWortmannilactone I1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O5
Net Charge0
Average Mass440.580
Monoisotopic Mass440.25627
SMILESCO[C@H]1O[C@H](C)C(C)=C[C@@]1(C)/C(C)=C/C=C/C=C/C=C/C1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C
InChIInChI=1S/C27H36O5/c1-17-16-25(5,24(30-8)31-20(17)4)18(2)14-12-10-9-11-13-15-26(6)22-19(3)21(28)27(26,7)23(29)32-22/h9-16,19-20,22,24H,1-8H3/b11-9+,12-10+,15-13+,18-14+/t19-,20+,22-,24-,25-,26?,27-/m0/s1
InChIKeySZIURECWIJTTNO-NKFCINIFSA-N
Species of MetaboliteComponentSourceComments
Talaromyces wortmannii (ncbitaxon:28567) - DOI (10.1016/j.phytol.2016.10.006)
ChEBI Ontology
Outgoing Relation(s)
Wortmannilactone I1 (CHEBI:198116) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4S,6R)-7-[(1E,3E,5E,7E)-8-[(2S,3S,6R)-2-methoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraenyl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
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78442268ChemSpider