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CHEBI:198203 - Microsphaerophthalide C

ChEBI IDCHEBI:198203
ChEBI NameMicrosphaerophthalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCCO[C@H]1OC(=O)c2c(O)c(C)c(OC)c(C=O)c21
InChIInChI=1S/C13H14O6/c1-4-18-13-8-7(5-14)11(17-3)6(2)10(15)9(8)12(16)19-13/h5,13,15H,4H2,1-3H3/t13-/m0/s1
InChIKeyZZKWIQWPZCPXTI-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/j.tet.2012.09.043)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide C (CHEBI:198203) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-ethoxy-7-hydroxy-5-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carbaldehyde
Manual XrefsDatabases
78436330ChemSpider