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CHEBI:208899 - Microsphaerophthalide I

ChEBI IDCHEBI:208899
ChEBI NameMicrosphaerophthalide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O7
Net Charge0
Average Mass296.275
Monoisotopic Mass296.08960
SMILESCOCc1c(O)c(C(C)=O)c2c(c1OC)C(=O)O[C@H]2OC
InChIInChI=1S/C14H16O7/c1-6(15)8-9-10(13(17)21-14(9)20-4)12(19-3)7(5-18-2)11(8)16/h14,16H,5H2,1-4H3/t14-/m1/s1
InChIKeyWLQHOYVNIONBHA-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30050898)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerophthalide I (CHEBI:208899) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-4-acetyl-5-hydroxy-3,7-dimethoxy-6-(methoxymethyl)-3H-2-benzouran-1-one
Manual XrefsDatabases
71048505ChemSpider