Stereumin O (CHEBI:207425)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Stereumin O

ChEBI ID	CHEBI:207425

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C18H28O4

Net Charge

Average Mass

308.418

Monoisotopic Mass

308.19876

InChI

InChI=1S/C18H28O4/c1-10-5-6-13-11(2)7-14-18(22-17(3,4)21-14)12(8-19)9-20-16(10)15(13)18/h5,11-16,19H,6-9H2,1-4H3/t11-,12+,13+,14-,15+,16-,18-/m0/s1

InChIKey

OCXMPIIXPZZNOJ-LJCQJWCWSA-N

SMILES

O1[C@H]2C(=CC[C@H]3[C@H]2[C@]4(OC(C)(C)O[C@H]4C[C@@H]3C)[C@@H](C1)CO)C

Metabolite of Species	Details
Stereum (NCBI:txid5644)	See: PubMed

ChEBI Ontology
Outgoing	Stereumin O (CHEBI:207425) is a ketal (CHEBI:59777)

IUPAC Name

[(1R,2R,5R,9R,10S,12S,16R)-6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.01,12.05,16]hexadec-6-en-2-yl]methanol