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CHEBI:191441 - 13-Oxocryptopine

ChEBI IDCHEBI:191441
ChEBI Name13-Oxocryptopine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILESCOc1cc2c(cc1OC)C(=O)C(=O)c1ccc3c(c1CN(C)CC2)OCO3
InChIInChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyUFCVPEFVGGMGSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
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)
13-Oxocryptopine (CHEBI:191441) is a alkaloid (CHEBI:22315)
IUPAC Name 
6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaene-2,3-dione
Manual XrefsDatabases
30776957ChemSpider
HMDB0032878HMDB