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CHEBI:218256 - Bacillcoumacin A

ChEBI IDCHEBI:218256
ChEBI NameBacillcoumacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO5
Net Charge0
Average Mass307.346
Monoisotopic Mass307.14197
SMILESCC(C)C[C@H](NC(=O)CO)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C16H21NO5/c1-9(2)6-11(17-14(20)8-18)13-7-10-4-3-5-12(19)15(10)16(21)22-13/h3-5,9,11,13,18-19H,6-8H2,1-2H3,(H,17,20)/t11-,13-/m0/s1
InChIKeyLXFNXENYQUUHMT-AAEUAGOBSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - DOI (10.1016/j.tetlet.2014.09.100)
ChEBI Ontology
Outgoing Relation(s)
Bacillcoumacin A (CHEBI:218256) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
2-hydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]acetamide
Manual XrefsDatabases
40256603ChemSpider