CHEBI:68208 - BU-4704

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ChEBI Name BU-4704 ChEBI ID CHEBI:68208 Definition An aryl sulfate that is phenyl hydrogen sulfate substituted by a (1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl group at position 4. An Aspergillus metabolite isolated from Aspergillus and Aspergillus fumigatus. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H14N2O5S Net Charge 0 Average Mass 382.39000 Monoisotopic Mass 382.06234 InChI InChI=1S/C19H14N2O5S/c1-20-18(12-14-4-8-16(25-3)9-5-14)19(21-2)13-15-6-10-17(11-7-15)26-27(22,23)24/h4-13H,3H3,(H,22,23,24)/b18-12-,19-13- InChIKey AFDVXUYMZKBPPT-BKHHGCLFSA-N SMILES COc1ccc(cc1)\C=C([N+]#[C-])\C(=C\c1ccc(OS(O)(=O)=O)cc1)[N+]#[C-] Metabolite of Species Details Streptomyces peucetius (NCBI:txid1950) Co-culture of fungus Aspergillus fumigatus with the bacteria streptomyces peucetius, BuOH extract. See: PubMed Aspergillus (NCBI:txid5052) See: PubMed Aspergillus fumigatus (NCBI:txid746128) Co-culture of fungus Aspergillus fumigatus with the bacteria streptomyces peucetius, BuOH extract. See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing BU-4704 (CHEBI:68208) has role Aspergillus metabolite (CHEBI:76956) BU-4704 (CHEBI:68208) is a aromatic ether (CHEBI:35618) BU-4704 (CHEBI:68208) is a aryl sulfate (CHEBI:37919) BU-4704 (CHEBI:68208) is a isocyanide (CHEBI:35353) IUPAC Name 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl]phenyl hydrogen sulfate Registry Number Type Source 21731183 Reaxys Registry Number Reaxys Citations Types Sources 21667925 PubMed citation Europe PMC 8501014 PubMed citation Europe PMC Last Modified 13 January 2014