Alline (CHEBI:193984)

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ChEBI Ontology

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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	Alline

ChEBI ID	CHEBI:193984

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14N2O

Net Charge

Average Mass

190.246

Monoisotopic Mass

190.11061

InChI

InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3

InChIKey

CBQYNPHHHJTCJS-UHFFFAOYSA-N

SMILES

OC12C(N(CC1)C)NC=3C2=CC=CC3

Metabolite of Species	Details
mock community culture	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	Alline (CHEBI:193984) is a pyrroloindole (CHEBI:48133)

IUPAC Name

3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol