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CHEBI:212238 - Aspernolide E

ChEBI IDCHEBI:212238
ChEBI NameAspernolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O7
Net Charge0
Average Mass422.433
Monoisotopic Mass422.13655
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C24H22O7/c1-23(2)11-10-16-12-14(4-9-18(16)30-23)13-24(22(28)29-3)19(20(26)21(27)31-24)15-5-7-17(25)8-6-15/h4-12,25-26H,13H2,1-3H3/t24-/m1/s1
InChIKeyXYGSNCPRLVTNHL-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23806112)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide E (CHEBI:212238) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
30770985ChemSpider