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CHEBI:172707 - Dukunolide A

ChEBI IDCHEBI:172707
ChEBI NameDukunolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O9
Net Charge0
Average Mass482.485
Monoisotopic Mass482.15768
SMILESCC12CCC=C3CC4(O)C(=O)C(C)(C)C56OC5C(=O)OC6(C)C4(O)C(=C31)C(=O)OC2c1ccoc1
InChIInChI=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
InChIKeyBATTZJIKLZSIAU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0035683HMDB
35013993ChemSpider