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CHEBI:202482 - Wortmannilactone I3

ChEBI IDCHEBI:202482
ChEBI NameWortmannilactone I3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILESCCCCO[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/C30H42O5/c1-9-10-18-33-27-28(6,19-20(2)23(5)34-27)21(3)16-14-12-11-13-15-17-29(7)25-22(4)24(31)30(29,8)26(32)35-25/h11-17,19,22-23,25,27H,9-10,18H2,1-8H3/b13-11+,14-12+,17-15+,21-16+/t22-,23+,25-,27-,28-,29?,30-/m0/s1
InChIKeyJDSWVUFJTYMAPS-BTEWLGSVSA-N
Species of MetaboliteComponentSourceComments
Talaromyces wortmannii (ncbitaxon:28567) - DOI (10.1016/j.phytol.2016.10.006)
ChEBI Ontology
Outgoing Relation(s)
Wortmannilactone I3 (CHEBI:202482) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4S,6R)-7-[(1E,3E,5E,7E)-8-[(2S,3S,6R)-2-butoxy-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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