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CHEBI:205820 - Chinikomycin B

ChEBI IDCHEBI:205820
ChEBI NameChinikomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H35ClN2O6
Net Charge0
Average Mass567.082
Monoisotopic Mass566.21836
SMILESCCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)Nc1cc(O)c(/C=C/C=C/C=C/C(=O)N=C2C(=O)CCC2=O)c(Cl)c1O
InChIInChI=1S/C31H35ClN2O6/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/h7-10,12-13,16-19,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m1/s1
InChIKeyGVRSHCDEQGJRPD-RWZZEPMSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies M045 (ncbitaxon:283430) - PubMed (15787434)
ChEBI Ontology
Outgoing Relation(s)
Chinikomycin B (CHEBI:205820) is a benzenediols (CHEBI:33570)
Chinikomycin B (CHEBI:205820) is a organohalogen compound (CHEBI:17792)
IUPAC Name 
(2E,4E,6R)-N-[3-chloro-4-[(1E,3E,5E)-7-[(2,5-dioxocyclopentylidene)amino]-7-oxohepta-1,3,5-trienyl]-2,5-dihydroxyphenyl]-2,4,6-trimethyldeca-2,4-dienamide
Manual XrefsDatabases
78438394ChemSpider