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CHEBI:218416 - Bacillcoumacin D

ChEBI IDCHEBI:218416
ChEBI NameBacillcoumacin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO7
Net Charge0
Average Mass391.420
Monoisotopic Mass391.16310
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]1CCC(=O)O1)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C20H25NO7/c1-10(2)8-12(21-19(25)18(24)14-6-7-16(23)27-14)15-9-11-4-3-5-13(22)17(11)20(26)28-15/h3-5,10,12,14-15,18,22,24H,6-9H2,1-2H3,(H,21,25)/t12-,14-,15-,18-/m0/s1
InChIKeyFIQGZNLWJSKSJX-OWCBBSPXSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - DOI (10.1016/j.tetlet.2014.09.100)
ChEBI Ontology
Outgoing Relation(s)
Bacillcoumacin D (CHEBI:218416) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S)-2-hydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-2-[(2S)-5-oxooxolan-2-yl]acetamide
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40256606ChemSpider