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CHEBI:210389 - Neglectine A

ChEBI IDCHEBI:210389
ChEBI NameNeglectine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O3
Net Charge0
Average Mass226.316
Monoisotopic Mass226.15689
SMILESCC[C@@H](C)C(=O)[C@H]1CO[C@@H]2O[C@@H](C)[C@@H](C)[C@@H]21
InChIInChI=1S/C13H22O3/c1-5-7(2)12(14)10-6-15-13-11(10)8(3)9(4)16-13/h7-11,13H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,13-/m1/s1
InChIKeyGELKPAAWBZNISO-KCRWSQEUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - DOI (10.1007/s10600-019-02892-4)
ChEBI Ontology
Outgoing Relation(s)
Neglectine A (CHEBI:210389) is a furofuran (CHEBI:47790)
IUPAC Name 
(2R)-1-[(3R,3aR,4S,5S,6aR)-4,5-dimethyl-2,3,3a,4,5,6a-hexahydrouro[2,3-b]uran-3-yl]-2-methylbutan-1-one