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CHEBI:190065 - N-Acetoxymethylflindersine

ChEBI IDCHEBI:190065
ChEBI NameN-Acetoxymethylflindersine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17NO4
Net Charge0
Average Mass299.326
Monoisotopic Mass299.11576
SMILESCC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2
InChIInChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3
InChIKeyJXPDGNCKRXEJET-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
N-Acetoxymethylflindersine (CHEBI:190065) is a organic heterotricyclic compound (CHEBI:26979)
N-Acetoxymethylflindersine (CHEBI:190065) is a organonitrogen heterocyclic compound (CHEBI:38101)
N-Acetoxymethylflindersine (CHEBI:190065) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
Manual XrefsDatabases
9464539ChemSpider
HMDB0039879HMDB