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CHEBI:221812 - Xenocoumacin 1

ChEBI IDCHEBI:221812
ChEBI NameXenocoumacin 1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35N5O6
Net Charge0
Average Mass465.551
Monoisotopic Mass465.25873
SMILESCC(C)CC(NC(=O)C(O)C(O)C(N)CCCN=C(N)N)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C22H35N5O6/c1-11(2)9-14(16-10-12-5-3-7-15(28)17(12)21(32)33-16)27-20(31)19(30)18(29)13(23)6-4-8-26-22(24)25/h3,5,7,11,13-14,16,18-19,28-30H,4,6,8-10,23H2,1-2H3,(H,27,31)(H4,24,25,26)
InChIKeyKJPBPENONKNTAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (1955881)
ChEBI Ontology
Outgoing Relation(s)
Xenocoumacin 1 (CHEBI:221812) has functional parent γ-amino acid (CHEBI:33707)
Xenocoumacin 1 (CHEBI:221812) is a organonitrogen compound (CHEBI:35352)
Xenocoumacin 1 (CHEBI:221812) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide
Manual XrefsDatabases
143623ChemSpider