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CHEBI:48212 - kinamycin A

ChEBI IDCHEBI:48212
ChEBI Namekinamycin A
Stars
Last Modified11 September 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H20N2O10
Net Charge0
Average Mass496.428
Monoisotopic Mass496.11179
SMILESCC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@@H](OC(C)=O)[C@]1(C)OC(C)=O
InChIInChI=1S/C24H20N2O10/c1-8(27)34-22-17-15(21(33)23(35-9(2)28)24(22,4)36-10(3)29)14-16(18(17)26-25)20(32)13-11(19(14)31)6-5-7-12(13)30/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1
InChIKeyJIYPIUWXCOFASH-OLKYXYMISA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kinamycin A (CHEBI:48212) is a kinamycin (CHEBI:48207)
IUPAC Name 
(1R,2R,3R,4S)-11-diazo-4,9-dihydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluorene-1,2,3-triyl triacetate
Registry NumbersSources
Beilstein:505520Beilstein
CAS:35303-12-9ChemIDplus