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CHEBI:205056 - NK-372135 B

ChEBI IDCHEBI:205056
ChEBI NameNK-372135 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N2O3
Net Charge0
Average Mass348.402
Monoisotopic Mass348.14739
SMILES[C-]#[N+]/C(=C\c1ccc(OC)c(OC)c1)[C@H](Cc1ccc(OC)cc1)[N+]#[C-]
InChIInChI=1S/C21H20N2O3/c1-22-18(12-15-6-9-17(24-3)10-7-15)19(23-2)13-16-8-11-20(25-4)21(14-16)26-5/h6-11,13-14,18H,12H2,3-5H3/b19-13-/t18-/m0/s1
InChIKeyBUYCBUQNLIMGDZ-UZNZLNSGSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (7844048)
ChEBI Ontology
Outgoing Relation(s)
NK-372135 B (CHEBI:205056) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
4-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-1,2-dimethoxybenzene
Manual XrefsDatabases
8241878ChemSpider