N-Methylschinifoline (CHEBI:169169)

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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-Methylschinifoline

ChEBI ID	CHEBI:169169

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H17NO2

Net Charge

Average Mass

255.317

Monoisotopic Mass

255.12593

InChI

InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+

InChIKey

KUJRJLUCKWRGPV-MDZDMXLPSA-N

SMILES

O(C=1C=2C(N(C(=O)C1/C=C/C(C)=C)C)=CC=CC2)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	N-Methylschinifoline (CHEBI:169169) is a quinolines (CHEBI:26513)

IUPAC Name

4-methoxy-1-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]quinolin-2-one