Nb-Acetyl-Nb-methyltryptamine (CHEBI:169440)

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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	Nb-Acetyl-Nb-methyltryptamine

ChEBI ID	CHEBI:169440

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N2O

Net Charge

Average Mass

216.284

Monoisotopic Mass

216.12626

InChI

InChI=1S/C13H16N2O/c1-10(16)15(2)8-7-11-9-14-13-6-4-3-5-12(11)13/h3-6,9,14H,7-8H2,1-2H3

InChIKey

QXARHNVPFNXOJM-UHFFFAOYSA-N

SMILES

O=C(N(CCC=1C=2C(NC1)=CC=CC2)C)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	Nb-Acetyl-Nb-methyltryptamine (CHEBI:169440) is a indoles (CHEBI:24828)

IUPAC Name

N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide