CHEBI:175982 - Dukunolide C

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ChEBI Name Dukunolide C
ChEBI ID CHEBI:175982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H28O11
Net Charge 0
Average Mass 540.521
Monoisotopic Mass 540.16316
InChI InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3
InChIKey HOJFTRARYIFTJU-UHFFFAOYSA-N
SMILES O1C23C(OC(=O)C12)(C4(O)C(O)(C(=O)C3(C)C)C(OC(=O)C)C=5C6=C4C(OC(C6(CCC5)C)C=7C=COC7)=O)C
ChEBI Ontology
Outgoing Dukunolide C (CHEBI:175982) is a organic heterotricyclic compound (CHEBI:26979)
Dukunolide C (CHEBI:175982) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[18-(uran-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate
Manual Xrefs Databases
35013875 ChemSpider
HMDB0035204 HMDB
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