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CHEBI:216170 - Xenocoumacin 2

ChEBI IDCHEBI:216170
ChEBI NameXenocoumacin 2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N2O6
Net Charge0
Average Mass406.479
Monoisotopic Mass406.21039
SMILESCC(C)CC(NC(=O)C(O)C(O)C1CCCN1)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C21H30N2O6/c1-11(2)9-14(23-20(27)19(26)18(25)13-6-4-8-22-13)16-10-12-5-3-7-15(24)17(12)21(28)29-16/h3,5,7,11,13-14,16,18-19,22,24-26H,4,6,8-10H2,1-2H3,(H,23,27)
InChIKeyGJFFPZMEAWWELD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (1955881)
ChEBI Ontology
Outgoing Relation(s)
Xenocoumacin 2 (CHEBI:216170) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
Manual XrefsDatabases
114363ChemSpider