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CHEBI:208391 - Aspernolide N

ChEBI IDCHEBI:208391
ChEBI NameAspernolide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O7
Net Charge0
Average Mass424.449
Monoisotopic Mass424.15220
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](C(C)(C)O)O3)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C24H24O7/c1-23(2,28)18-12-16-11-14(9-10-17(16)30-18)13-24(22(27)29-3)19(20(25)21(26)31-24)15-7-5-4-6-8-15/h4-11,18,25,28H,12-13H2,1-3H3/t18-,24-/m1/s1
InChIKeyCTMIBXKMQNCFFO-HOYKHHGWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31163670)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide N (CHEBI:208391) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methyl]-5-oxo-3-phenyluran-2-carboxylate
Manual XrefsDatabases
76117734ChemSpider