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CHEBI:199696 - Xanthocillin-X dimethylether

ChEBI IDCHEBI:199696
ChEBI NameXanthocillin-X dimethylether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16N2O2
Net Charge0
Average Mass316.360
Monoisotopic Mass316.12118
SMILES[C-]#[N+]C(=C\c1ccc(OC)cc1)/C(=C/c1ccc(OC)cc1)[N+]#[C-]
InChIInChI=1S/C20H16N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,3-4H3/b19-13-,20-14-
InChIKeyVJKZMXOJMQCHRI-AXPXABNXSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (5752383)
ChEBI Ontology
Outgoing Relation(s)
Xanthocillin-X dimethylether (CHEBI:199696) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
1-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
Manual XrefsDatabases
4948351ChemSpider