CHEBI:205678 - Nectriatone B

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ChEBI Name Nectriatone B
ChEBI ID CHEBI:205678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O2
Net Charge 0
Average Mass 206.285
Monoisotopic Mass 206.13068
InChI InChI=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
InChIKey BRIFLTZNTKNQAE-CAZBBBLRSA-N
SMILES O=C1C=C[C@@H](C)[C@@]([C@H]1C)(/C=C/C(=O)C)C
Metabolite of Species Details
Nectriaspecies B-13 (NCBI:txid2020480) See: PubMed
ChEBI Ontology
Outgoing 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