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CHEBI:202259 - Wortmannilactone I2

ChEBI IDCHEBI:202259
ChEBI NameWortmannilactone I2
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)=CC=CC=CC=CC1(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/t19-,20+,22-,24+,25-,26?,27-/m0/s1
InChIKeySZIURECWIJTTNO-XLOYXOEVSA-N
Species of MetaboliteComponentSourceComments
Talaromyces wortmannii (ncbitaxon:28567) - DOI (10.1016/j.phytol.2016.10.006)
ChEBI Ontology
Outgoing Relation(s)
Wortmannilactone I2 (CHEBI:202259) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4S,6R)-7-[8-[(2R,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