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CHEBI:210825 - Nemanolone C

ChEBI IDCHEBI:210825
ChEBI NameNemanolone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESCOc1ccc2c(c(=O)c1O)COC(C)=C2
InChIInChI=1S/C12H12O4/c1-7-5-8-3-4-10(15-2)12(14)11(13)9(8)6-16-7/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyALSNOHDARCSIRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
ChEBI Ontology
Outgoing Relation(s)
Nemanolone C (CHEBI:210825) is a oxacycle (CHEBI:38104)
IUPAC Name 
8-hydroxy-7-methoxy-3-methyl-1H-cyclohepta[c]pyran-9-one
Manual XrefsDatabases
78435252ChemSpider