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CHEBI:221540 - Microsphaerophthalide F

ChEBI IDCHEBI:221540
ChEBI NameMicrosphaerophthalide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O6
Net Charge0
Average Mass268.265
Monoisotopic Mass268.09469
SMILESCOCc1c(O)c(C)c(OC)c2c1[C@@H](OC)OC2=O
InChIInChI=1S/C13H16O6/c1-6-10(14)7(5-16-2)8-9(11(6)17-3)12(15)19-13(8)18-4/h13-14H,5H2,1-4H3/t13-/m0/s1
InChIKeyFKABIXZMESUMKG-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/j.tet.2012.09.043)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide F (CHEBI:221540) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-5-hydroxy-3,7-dimethoxy-4-(methoxymethyl)-6-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
78438223ChemSpider