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CHEBI:216865 - (+)-nigrosporione D

ChEBI IDCHEBI:216865
ChEBI Name(+)-nigrosporione D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O3
Net Charge0
Average Mass168.192
Monoisotopic Mass168.07864
SMILESC=C1C(OC)=CC(=O)[C@]1(C)CO
InChIInChI=1S/C9H12O3/c1-6-7(12-3)4-8(11)9(6,2)5-10/h4,10H,1,5H2,2-3H3/t9-/m1/s1
InChIKeyIVWZSQCKWUPCTA-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (29746771)
ChEBI Ontology
Outgoing Relation(s)
(+)-nigrosporione D (CHEBI:216865) is a enol ether (CHEBI:47985)
(+)-nigrosporione D (CHEBI:216865) is a enone (CHEBI:51689)
IUPAC Name 
(5S)-5-(hydroxymethyl)-3-methoxy-5-methyl-4-methylidenecyclopent-2-en-1-one