CHEBI:172707 - Dukunolide A

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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 A
ChEBI ID CHEBI:172707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C26H26O9
Net Charge 0
Average Mass 482.485
Monoisotopic Mass 482.15768
InChI InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3
InChIKey BATTZJIKLZSIAU-UHFFFAOYSA-N
SMILES O1C23C(OC(=O)C12)(C4(O)C(O)(C(=O)C3(C)C)CC=5C6=C4C(OC(C6(CCC5)C)C=7C=COC7)=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Dukunolide A (CHEBI:172707) is a organic heterotricyclic compound (CHEBI:26979)
Dukunolide A (CHEBI:172707) is a organooxygen compound (CHEBI:36963)
IUPAC Name
18-(uran-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-diene-5,10,20-trione
Manual Xrefs Databases
35013993 ChemSpider
HMDB0035683 HMDB
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