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CHEBI:219022 - Necpyrone E

ChEBI IDCHEBI:219022
ChEBI NameNecpyrone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESCCCC[C@H](O)[C@H]1OC(=O)C=C(OC)[C@@H]1O
InChIInChI=1S/C11H18O5/c1-3-4-5-7(12)11-10(14)8(15-2)6-9(13)16-11/h6-7,10-12,14H,3-5H2,1-2H3/t7-,10-,11+/m0/s1
InChIKeyRCXLTHIZMBFOFN-BKDNQFJXSA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies (in: ascomycete fungi) (ncbitaxon:1755444) - DOI (10.1016/j.phytol.2015.02.008)
ChEBI Ontology
Outgoing Relation(s)
Necpyrone E (CHEBI:219022) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3R)-3-hydroxy-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one