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CHEBI:226371 - Necpyrone C

ChEBI IDCHEBI:226371
ChEBI NameNecpyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O5
Net Charge0
Average Mass228.244
Monoisotopic Mass228.09977
SMILESCC[C@@H](O)C[C@@H](O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H16O5/c1-3-7(12)4-9(13)10-5-8(15-2)6-11(14)16-10/h5-7,9,12-13H,3-4H2,1-2H3/t7-,9-/m1/s1
InChIKeyAWQOSUDFARWYOX-VXNVDRBHSA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies (in: ascomycete fungi) (ncbitaxon:1755444) - DOI (10.1016/j.phytol.2015.02.008)
ChEBI Ontology
Outgoing Relation(s)
Necpyrone C (CHEBI:226371) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1R,3R)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
Manual XrefsDatabases
78442347ChemSpider