EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175982 - Dukunolide C

ChEBI IDCHEBI:175982
ChEBI NameDukunolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O11
Net Charge0
Average Mass540.521
Monoisotopic Mass540.16316
SMILESCC(=O)OC1C2=CCCC3(C)C2=C(C(=O)OC3c2ccoc2)C2(O)C1(O)C(=O)C(C)(C)C13OC1C(=O)OC23C
InChIInChI=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
InChIKeyHOJFTRARYIFTJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0035204HMDB
35013875ChemSpider