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CHEBI:190066 - 7-Chloro-6-demethylcepharadione B

ChEBI IDCHEBI:190066
ChEBI Name7-Chloro-6-demethylcepharadione B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12ClNO4
Net Charge0
Average Mass341.750
Monoisotopic Mass341.04549
SMILESCOc1cc2c3c(c(Cl)c4ccccc4c3c1OC)NC(=O)C2=O
InChIInChI=1S/C18H12ClNO4/c1-23-11-7-10-12-13(17(11)24-2)8-5-3-4-6-9(8)14(19)15(12)20-18(22)16(10)21/h3-7H,1-2H3,(H,20,22)
InChIKeyDBNFUUYMTAGFDM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-Chloro-6-demethylcepharadione B (CHEBI:190066) has functional parent aporphine (CHEBI:35643)
7-Chloro-6-demethylcepharadione B (CHEBI:190066) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
8-chloro-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Manual XrefsDatabases
30777366ChemSpider
HMDB0039757HMDB