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CHEBI:48216 - kinamycin E

ChEBI IDCHEBI:48216
ChEBI Namekinamycin E
Stars
Last Modified11 September 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H16N2O8
Net Charge0
Average Mass412.354
Monoisotopic Mass412.09067
SMILESCC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C20H16N2O8/c1-6(23)30-19-13-11(17(27)18(28)20(19,2)29)10-12(14(13)22-21)16(26)9-7(15(10)25)4-3-5-8(9)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1
InChIKeyFRKARNRSYLXVBE-MTQWCTHYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kinamycin E (CHEBI:48216) is a kinamycin (CHEBI:48207)
IUPAC Name 
(1R,2R,3R,4S)-11-diazo-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluoren-1-yl acetate
Registry NumbersSources
CAS:120796-26-1ChemIDplus