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CHEBI:203783 - Necpyrone D

ChEBI IDCHEBI:203783
ChEBI NameNecpyrone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESCC[C@@H](O)C[C@H](O)[C@@H]1CC(OC)=CC(=O)O1
InChIInChI=1S/C11H18O5/c1-3-7(12)4-9(13)10-5-8(15-2)6-11(14)16-10/h6-7,9-10,12-13H,3-5H2,1-2H3/t7-,9+,10+/m1/s1
InChIKeyQPHDBTAGXJAYBS-JEZHCXPESA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies (in: ascomycete fungi) (ncbitaxon:1755444) - DOI (10.1016/j.phytol.2015.02.008)
ChEBI Ontology
Outgoing Relation(s)
Necpyrone D (CHEBI:203783) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S)-2-[(1S,3R)-1,3-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
78442302ChemSpider