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CHEBI:216753 - Aspernolide C

ChEBI IDCHEBI:216753
ChEBI NameAspernolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CCC(C)(C)OC)c2)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C25H28O8/c1-24(2,32-4)12-11-17-13-15(5-10-19(17)27)14-25(23(30)31-3)20(21(28)22(29)33-25)16-6-8-18(26)9-7-16/h5-10,13,26-28H,11-12,14H2,1-4H3/t25-/m1/s1
InChIKeyUTCDATRBJULADO-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2020.131496)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide C (CHEBI:216753) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-(3-methoxy-3-methylbutyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
101935339ChemSpider