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CHEBI:203681 - Dhilirolide K

ChEBI IDCHEBI:203681
ChEBI NameDhilirolide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESC=C1[C@]2(C)C=C3C4=C([C@H](O)C[C@]3(C)[C@]13C(=O)O[C@@H](C)[C@@]3(OC(C)=O)C2=O)C(C)(C)OC(=O)C4
InChIInChI=1S/C25H28O8/c1-11-22(6)9-15-14-8-17(28)33-21(4,5)18(14)16(27)10-23(15,7)24(11)20(30)31-12(2)25(24,19(22)29)32-13(3)26/h9,12,16,27H,1,8,10H2,2-7H3/t12-,16+,22-,23-,24+,25+/m0/s1
InChIKeyPXSBFAYVIZOVQY-KJTLYPOWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24684453)
ChEBI Ontology
Outgoing Relation(s)
Dhilirolide K (CHEBI:203681) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(1R,2S,4R,13S,15R,16S)-4-hydroxy-2,6,6,13,16-pentamethyl-19-methylidene-8,14,18-trioxo-7,17-dioxapentacyclo[11.5.1.01,15.02,11.05,10]nonadeca-5(10),11-dien-15-yl] acetate
Manual XrefsDatabases
78440169ChemSpider