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CHEBI:200591 - Chinikomycin A

ChEBI IDCHEBI:200591
ChEBI NameChinikomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37ClN2O6
Net Charge0
Average Mass569.098
Monoisotopic Mass568.23401
SMILESCCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)Nc1cc(O)c(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)c(Cl)c1O
InChIInChI=1S/C31H37ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m1/s1
InChIKeyZFIDLGUORHJAKX-RWZZEPMSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies M045 (ncbitaxon:283430) - PubMed (15787434)
ChEBI Ontology
Outgoing Relation(s)
Chinikomycin A (CHEBI:200591) is a anilide (CHEBI:13248)
IUPAC Name 
(2E,4E,6R)-N-[3-chloro-2,5-dihydroxy-4-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]phenyl]-2,4,6-trimethyldeca-2,4-dienamide
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9448084ChemSpider