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CHEBI:213917 - Microsphaerophthalide E

ChEBI IDCHEBI:213917
ChEBI NameMicrosphaerophthalide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESCCOCc1c(O)c(C)c(OC)c2c1[C@@H](OCC)OC2=O
InChIInChI=1S/C15H20O6/c1-5-19-7-9-10-11(13(18-4)8(3)12(9)16)14(17)21-15(10)20-6-2/h15-16H,5-7H2,1-4H3/t15-/m0/s1
InChIKeyIDCNOQYTQTXCHE-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/j.tet.2012.09.043)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide E (CHEBI:213917) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-ethoxy-4-(ethoxymethyl)-5-hydroxy-7-methoxy-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
78437503ChemSpider