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CHEBI:192165 - Dukunolide E

ChEBI IDCHEBI:192165
ChEBI NameDukunolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O9
Net Charge0
Average Mass484.501
Monoisotopic Mass484.17333
SMILESCC1(C)C(=O)C2(O)CC34OC3CCC3(C)C4=C(C(=O)OC3c3ccoc3)C2(O)C2(C)OC(=O)CC12
InChIInChI=1S/C26H28O9/c1-21(2)13-9-15(27)35-23(13,4)26(31)16-17-22(3,18(33-19(16)28)12-6-8-32-10-12)7-5-14-24(17,34-14)11-25(26,30)20(21)29/h6,8,10,13-14,18,30-31H,5,7,9,11H2,1-4H3
InChIKeyHQKQACOUFFEUAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Dukunolide E (CHEBI:192165) is a organic heterotricyclic compound (CHEBI:26979)
Dukunolide E (CHEBI:192165) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
15-(uran-3-yl)-3,11-dihydroxy-5,5,10,16-tetramethyl-9,14,20-trioxahexacyclo[10.8.1.01,19.03,11.06,10.016,21]henicos-12(21)-ene-4,8,13-trione
Manual XrefsDatabases
HMDB0035733HMDB
35014008ChemSpider