EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205678 - Nectriatone B

ChEBI IDCHEBI:205678
ChEBI NameNectriatone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCC(=O)/C=C/[C@@]1(C)[C@H](C)C=CC(=O)[C@@H]1C
InChIInChI=1S/C13H18O2/c1-9-5-6-12(15)11(3)13(9,4)8-7-10(2)14/h5-9,11H,1-4H3/b8-7+/t9-,11+,13+/m1/s1
InChIKeyBRIFLTZNTKNQAE-CAZBBBLRSA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies B-13 (ncbitaxon:2020480) - PubMed (29911892)
ChEBI Ontology
Outgoing Relation(s)
Nectriatone B (CHEBI:205678) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5S,6R)-4,5,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one