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CHEBI:204943 - Aspernolide I

ChEBI IDCHEBI:204943
ChEBI NameAspernolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)OC(=O)C(OC)=C1c1ccc(O)cc1
InChIInChI=1S/C25H28O9/c1-24(2,31)19(28)12-16-11-14(5-10-18(16)27)13-25(23(30)33-4)20(21(32-3)22(29)34-25)15-6-8-17(26)9-7-15/h5-11,19,26-28,31H,12-13H2,1-4H3/t19-,25+/m0/s1
InChIKeyDOBNLAOKYKLRPS-UQBPGWFLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus iizukae (ncbitaxon:41901) - DOI (10.1016/j.phytol.2016.03.014)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide I (CHEBI:204943) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxouran-2-carboxylate
Manual XrefsDatabases
78442307ChemSpider