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CHEBI:202592 - Aspernolide J

ChEBI IDCHEBI:202592
ChEBI NameAspernolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CCC(C)(C)O)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1
InChIInChI=1S/C25H28O9/c1-24(2,31)10-9-15-11-14(5-7-17(15)26)13-25(23(30)33-4)20(21(32-3)22(29)34-25)16-6-8-18(27)19(28)12-16/h5-8,11-12,26-28,31H,9-10,13H2,1-4H3/t25-/m1/s1
InChIKeyNSDJHLLIAIWRTP-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus iizukae (ncbitaxon:41901) - DOI (10.1016/j.phytol.2016.03.014)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide J (CHEBI:202592) is a catechols (CHEBI:33566)
IUPAC Name 
methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl]-4-methoxy-5-oxouran-2-carboxylate
Manual XrefsDatabases
78442294ChemSpider