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CHEBI:208397 - Aspernolide O

ChEBI IDCHEBI:208397
ChEBI NameAspernolide O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O8
Net Charge0
Average Mass454.475
Monoisotopic Mass454.16277
SMILESCCOC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](C(C)(C)O)O3)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C25H26O8/c1-4-31-23(29)25(20(21(27)22(28)33-25)15-6-8-17(26)9-7-15)13-14-5-10-18-16(11-14)12-19(32-18)24(2,3)30/h5-11,19,26-27,30H,4,12-13H2,1-3H3/t19-,25-/m1/s1
InChIKeyABYAULJWLMVPPE-KBMIEXCESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31163670)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide O (CHEBI:208397) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
ethyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methyl]-5-oxouran-2-carboxylate
Manual XrefsDatabases
76117735ChemSpider