CHEBI:213004 - Xanthocillin-X monomethylether

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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 Xanthocillin-X monomethylether
ChEBI ID CHEBI:213004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H14N2O2
Net Charge 0
Average Mass 302.333
Monoisotopic Mass 302.10553
InChI InChI=1S/C19H14N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,3H3/b18-12-,19-13-
InChIKey NIFGBMKUAMIQJA-BKHHGCLFSA-N
SMILES O(C1=CC=C(/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C/C2=CC=C(O)C=C2)C=C1)C
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: DOI
ChEBI Ontology
Outgoing Xanthocillin-X monomethylether (CHEBI:213004) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
Manual Xref Database
4945250 ChemSpider
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