CHEBI:205673 - Nectriatone C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nectriatone C
ChEBI ID CHEBI:205673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H20O2
Net Charge 0
Average Mass 208.301
Monoisotopic Mass 208.14633
InChI InChI=1S/C13H20O2/c1-9-5-6-12(15)11(3)13(9,4)8-7-10(2)14/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11+,13+/m1/s1
InChIKey AZBQNLGUMHRVHL-CAZBBBLRSA-N
SMILES O=C1[C@@H]([C@@](/C=C/C(=O)C)([C@H](C)CC1)C)C
Metabolite of Species Details
Nectriaspecies B-13 (NCBI:txid2020480) See: PubMed
ChEBI Ontology
Outgoing Nectriatone C (CHEBI:205673) is a enone (CHEBI:51689)
IUPAC Name
(2R,3R,4R)-2,3,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohexan-1-one