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CHEBI:208568 - 4'-dehydroxy aspernolide A

ChEBI IDCHEBI:208568
ChEBI Name4'-dehydroxy aspernolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O6
Net Charge0
Average Mass408.450
Monoisotopic Mass408.15729
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C24H24O6/c1-23(2)12-11-17-13-15(9-10-18(17)29-23)14-24(22(27)28-3)19(20(25)21(26)30-24)16-7-5-4-6-8-16/h4-10,13,25H,11-12,14H2,1-3H3/t24-/m1/s1
InChIKeyAFQJNPHIZPDBIY-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1039/c8ra01840e)
ChEBI Ontology
Outgoing Relation(s)
4'-dehydroxy aspernolide A (CHEBI:208568) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-hydroxy-5-oxo-3-phenyluran-2-carboxylate
Manual XrefsDatabases
71048930ChemSpider