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CHEBI:207425 - Stereumin O

ChEBI IDCHEBI:207425
ChEBI NameStereumin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCC1=CC[C@H]2[C@@H]3[C@H]1OC[C@@H](CO)[C@@]31OC(C)(C)O[C@H]1C[C@@H]2C
InChIInChI=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
InChIKeyOCXMPIIXPZZNOJ-LJCQJWCWSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (23177358)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78443487ChemSpider