CHEBI:192165 - Dukunolide E

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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 Dukunolide E
ChEBI ID CHEBI:192165
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O9
Net Charge 0
Average Mass 484.501
Monoisotopic Mass 484.17333
InChI InChI=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
InChIKey HQKQACOUFFEUAD-UHFFFAOYSA-N
SMILES O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014008 ChemSpider
HMDB0035733 HMDB
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