Wortmannilactone N (CHEBI:218585)

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CHEBI:218585 - Wortmannilactone N

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ChEBI ID	CHEBI:218585
ChEBI Name	Wortmannilactone N
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H34O5
Net Charge	0
Average Mass	426.553
Monoisotopic Mass	426.24062
SMILES	CC1=C[C@@](C)(O)[C@H](/C(C)=C/C=C/C=C/C=C/C2(C)C3OC(=O)[C@]2(C)C(=O)[C@@H]3C)O[C@@H]1C
InChI	InChI=1S/C26H34O5/c1-16(21-25(6,29)15-17(2)19(4)30-21)13-11-9-8-10-12-14-24(5)22-18(3)20(27)26(24,7)23(28)31-22/h8-15,18-19,21-22,29H,1-7H3/b10-8+,11-9+,14-12+,16-13+/t18-,19+,21-,22?,24?,25+,26-/m0/s1
InChIKey	KSCZOENBBUGNJI-OTZVJJLLSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (29124659)

ChEBI Ontology

Outgoing Relation(s)
	Wortmannilactone N (CHEBI:218585) is a δ-lactone (CHEBI:18946)

IUPAC Name
(4S,6R)-7-[(1E,3E,5E,7E)-8-[(2S,3R,6R)-3-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]nona-1,3,5,7-tetraenyl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione