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CHEBI:226977 - Microsphaerophthalide D

ChEBI IDCHEBI:226977
ChEBI NameMicrosphaerophthalide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCCO[C@H]1OC(=O)c2c(OC)c(C)c(O)c(COC)c21
InChIInChI=1S/C14H18O6/c1-5-19-14-9-8(6-17-3)11(15)7(2)12(18-4)10(9)13(16)20-14/h14-15H,5-6H2,1-4H3/t14-/m0/s1
InChIKeyOMFAQMMYOMIGGR-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/j.tet.2012.09.043)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide D (CHEBI:226977) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-ethoxy-5-hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
78437818ChemSpider