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CHEBI:216160 - Aspernolide B

ChEBI IDCHEBI:216160
ChEBI NameAspernolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CCC(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C24H26O8/c1-23(2,30)11-10-16-12-14(4-9-18(16)26)13-24(22(29)31-3)19(20(27)21(28)32-24)15-5-7-17(25)8-6-15/h4-9,12,25-27,30H,10-11,13H2,1-3H3/t24-/m1/s1
InChIKeyMJCHJLWNXODVGT-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (19081582)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide B (CHEBI:216160) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
27023984ChemSpider