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CHEBI:220298 - Chlorocyclinone B

ChEBI IDCHEBI:220298
ChEBI NameChlorocyclinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H21ClO9
Net Charge0
Average Mass512.898
Monoisotopic Mass512.08741
SMILESCOC(=O)c1cc2c(c(O)c1[C@H](C)OC(C)=O)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O
InChIInChI=1S/C26H21ClO9/c1-9-6-12-7-15(29)19-20(17(12)25(34-4)21(9)27)22(30)13-8-14(26(33)35-5)16(10(2)36-11(3)28)23(31)18(13)24(19)32/h6-8,10,29,31H,1-5H3/t10-/m0/s1
InChIKeyMFLXCCWOEBQIHW-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18044841)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Chlorocyclinone B (CHEBI:220298) is a angucycline (CHEBI:48130)
IUPAC Name 
methyl 9-(1-acetyloxyethyl)-2-chloro-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxobenzo[a]anthracene-10-carboxylate
Manual XrefsDatabases
23311525ChemSpider