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CHEBI:227168 - Microsphaerophthalide A

ChEBI IDCHEBI:227168
ChEBI NameMicrosphaerophthalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCCOCc1c(O)c(C)c(OC)c2c1COC2=O
InChIInChI=1S/C13H16O5/c1-4-17-5-9-8-6-18-13(15)10(8)12(16-3)7(2)11(9)14/h14H,4-6H2,1-3H3
InChIKeyNTNRWVGNNLAIAT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/j.tet.2012.09.043)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide A (CHEBI:227168) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
4-(ethoxymethyl)-5-hydroxy-7-methoxy-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
78434946ChemSpider