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CHEBI:214138 - Bacillamidin E

ChEBI IDCHEBI:214138
ChEBI NameBacillamidin E
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SubmitterMetaboLights
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FormulaC35H54N2O8
Net Charge0
Average Mass630.823
Monoisotopic Mass630.38802
SMILESCC(C)CCCCCCCCCCCC(=O)N[C@H]1CC(=O)O[C@@H]1[C@H](O)C(=O)N[C@@H](CC(C)C)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C35H54N2O8/c1-22(2)15-12-10-8-6-5-7-9-11-13-18-29(39)36-26-21-30(40)45-33(26)32(41)34(42)37-25(19-23(3)4)28-20-24-16-14-17-27(38)31(24)35(43)44-28/h14,16-17,22-23,25-26,28,32-33,38,41H,5-13,15,18-21H2,1-4H3,(H,36,39)(H,37,42)/t25-,26-,28-,32-,33-/m0/s1
InChIKeyBERAGSAGTUCEKR-MHMCFALESA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (30208577)
ChEBI Ontology
Outgoing Relation(s)
Bacillamidin E (CHEBI:214138) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
N-[(2S,3S)-2-[(1S)-1-hydroxy-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-2-oxoethyl]-5-oxooxolan-3-yl]-13-methyltetradecanamide
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78439278ChemSpider