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CHEBI:205974 - Aspernolide A

ChEBI IDCHEBI:205974
ChEBI NameAspernolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O7
Net Charge0
Average Mass424.449
Monoisotopic Mass424.15220
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C24H24O7/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/h4-9,12,25-26H,10-11,13H2,1-3H3/t24-/m1/s1
InChIKeyYCHNFUWRXHTAFK-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (19081582)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide A (CHEBI:205974) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
27023983ChemSpider