CHEBI:179871 - Dukunolide B

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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 B
ChEBI ID CHEBI:179871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C26H26O10
Net Charge 0
Average Mass 498.484
Monoisotopic Mass 498.15260
InChI InChI=1S/C26H26O10/c1-20(2)19(29)24(30)10-23-12(34-23)5-7-21(3)14(23)13(17(27)33-15(21)11-6-8-32-9-11)25(24,31)22(4)26(20)16(35-26)18(28)36-22/h6,8-9,12,15-16,30-31H,5,7,10H2,1-4H3
InChIKey CDCHBVSDWNDPOE-UHFFFAOYSA-N
SMILES O1C23C(OC(=O)C12)(C4(O)C(O)(CC56OC5CCC7(C6=C4C(OC7C=8C=COC8)=O)C)C(=O)C3(C)C)C
ChEBI Ontology
Outgoing Dukunolide B (CHEBI:179871) is a organic heterotricyclic compound (CHEBI:26979)
Dukunolide B (CHEBI:179871) is a organooxygen compound (CHEBI:36963)
IUPAC Name
16-(uran-3-yl)-3,12-dihydroxy-5,5,11,17-tetramethyl-7,10,15,21-tetraoxaheptacyclo[11.8.1.01,20.03,12.06,8.06,11.017,22]docos-13(22)-ene-4,9,14-trione
Manual Xrefs Databases
35013977 ChemSpider
HMDB0035664 HMDB
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