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CHEBI:48214 - kinamycin B

ChEBI IDCHEBI:48214
ChEBI Namekinamycin B
Stars
Last Modified18 September 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H16N2O8
Net Charge0
Average Mass412.354
Monoisotopic Mass412.09067
SMILESCC(=O)O[C@]1(C)[C@H](O)c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C20H16N2O8/c1-6(23)30-20(2)18(28)13-11(17(27)19(20)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
InChIKeyUZCOWBDCSCNWHJ-MTQWCTHYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kinamycin B (CHEBI:48214) is a kinamycin (CHEBI:48207)
IUPAC Name 
(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluoren-2-yl acetate
Registry NumbersSources
Beilstein:503790Beilstein
CAS:35303-13-0ChemIDplus