N-Acetoxymethylflindersine (CHEBI:190065)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Acetoxymethylflindersine

ChEBI ID	CHEBI:190065

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H17NO4

Net Charge

Average Mass

299.326

Monoisotopic Mass

299.11576

InChI

InChI=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

InChIKey

JXPDGNCKRXEJET-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C=3C(N(C2=O)COC(=O)C)=CC=CC3)(C)C

Metabolite of Species	Details
Brassica napus (NCBI:txid3708)	Found in flower (BTO:0000469). See: MetaboLights Study

ChEBI Ontology
Outgoing	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