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CHEBI:202244 - Dhilirolide E

ChEBI IDCHEBI:202244
ChEBI NameDhilirolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O7
Net Charge0
Average Mass442.508
Monoisotopic Mass442.19915
SMILESC=C1[C@@]2(C)C[C@H]3[C@@](C)(O)C4=C(C=C[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O)C(C)(C)OC(=O)C4
InChIInChI=1S/C25H30O7/c1-12-21(5)11-16-22(6,24(12)19(28)31-13(2)25(24,30)18(21)27)9-8-14-15(23(16,7)29)10-17(26)32-20(14,3)4/h8-9,13,16,29-30H,1,10-11H2,2-7H3/t13-,16+,21+,22-,23-,24-,25+/m0/s1
InChIKeyPOGMGKCDTIOBIY-LSSXUPBUSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24684453)
ChEBI Ontology
Outgoing Relation(s)
Dhilirolide E (CHEBI:202244) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,2S,11R,12R,14R,16R,17S)-11,16-dihydroxy-2,6,6,11,14,17-hexamethyl-20-methylidene-7,18-dioxapentacyclo[12.5.1.01,16.02,12.05,10]icosa-3,5(10)-diene-8,15,19-trione
Manual XrefsDatabases
78440128ChemSpider