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CHEBI:211956 - Bacilosarcin A

ChEBI IDCHEBI:211956
ChEBI NameBacilosarcin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33N3O8
Net Charge0
Average Mass491.541
Monoisotopic Mass491.22677
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@H]1O[C@](C)(O)[C@@]2(C)NC(=O)C[C@@H]1N2)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C24H33N3O8/c1-11(2)8-13(16-9-12-6-5-7-15(28)18(12)22(32)34-16)25-21(31)19(30)20-14-10-17(29)27-23(3,26-14)24(4,33)35-20/h5-7,11,13-14,16,19-20,26,28,30,33H,8-10H2,1-4H3,(H,25,31)(H,27,29)/t13-,14-,16-,19-,20-,23+,24-/m0/s1
InChIKeyFNOUTZPNCRDLBF-LRFYNWOCSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.1016/j.tet.2008.04.076)
ChEBI Ontology
Outgoing Relation(s)
Bacilosarcin A (CHEBI:211956) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S)-2-hydroxy-2-[(1R,5S,6S,8S)-8-hydroxy-1,8-dimethyl-3-oxo-7-oxa-2,9-diazabicyclo[3.3.1]nonan-6-yl]-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]acetamide
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