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CHEBI:201713 - Necpyrone B

ChEBI IDCHEBI:201713
ChEBI NameNecpyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESCOC1=CC(=O)O[C@H]([C@@H](O)CC[C@@H](C)O)C1
InChIInChI=1S/C11H18O5/c1-7(12)3-4-9(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
InChIKeyJNGSJLQFQBDUEC-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 B (CHEBI:201713) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S)-2-[(1S,4R)-1,4-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
78442290ChemSpider