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CHEBI:228950 - 13-O-Acetylbaptifoline

ChEBI IDCHEBI:228950
ChEBI Name13-O-Acetylbaptifoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O3
Net Charge0
Average Mass302.374
Monoisotopic Mass302.16304
SMILESCC(=O)OC1CCN2CC3CC(Cn4c3cccc4=O)C2C1
InChIInChI=1S/C17H22N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h2-4,12-14,16H,5-10H2,1H3
InChIKeyWOXXKFZZPFAEHI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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-O-Acetylbaptifoline (CHEBI:228950) is a alkaloid (CHEBI:22315)
IUPAC Name 
(14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-10,12-dien-4-yl) acetate
Manual XrefsDatabases
138189ChemSpider