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CHEBI:198308 - Bacillcoumacin G

ChEBI IDCHEBI:198308
ChEBI NameBacillcoumacin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O5
Net Charge0
Average Mass372.421
Monoisotopic Mass372.16852
SMILESCC(C)C[C@H](NC(=O)/C=C1/CCC(=O)N1)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C20H24N2O5/c1-11(2)8-14(22-18(25)10-13-6-7-17(24)21-13)16-9-12-4-3-5-15(23)19(12)20(26)27-16/h3-5,10-11,14,16,23H,6-9H2,1-2H3,(H,21,24)(H,22,25)/b13-10-/t14-,16-/m0/s1
InChIKeyJXGHXIFIIWVALX-JJPUIBJASA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - DOI (10.1016/j.tetlet.2014.09.100)
ChEBI Ontology
Outgoing Relation(s)
Bacillcoumacin G (CHEBI:198308) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2Z)-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-2-(5-oxopyrrolidin-2-ylidene)acetamide
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