2-(4-Methoxybenzylidene)quinuclidin-3-one (CHEBI:170054)

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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	2-(4-Methoxybenzylidene)quinuclidin-3-one

ChEBI ID	CHEBI:170054

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H17NO2

Net Charge

Average Mass

243.306

Monoisotopic Mass

243.12593

InChI

InChI=1S/C15H17NO2/c1-18-13-4-2-11(3-5-13)10-14-15(17)12-6-8-16(14)9-7-12/h2-5,10,12H,6-9H2,1H3/b14-10+

InChIKey

DGCCLZXEXPYXMT-GXDHUFHOSA-N

SMILES

O=C\1C2CCN(CC2)/C1=C/C3=CC=C(OC)C=C3

Metabolite of Species	Details
Culture Media	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	2-(4-Methoxybenzylidene)quinuclidin-3-one (CHEBI:170054) is a cyclic ketone (CHEBI:3992) 2-(4-Methoxybenzylidene)quinuclidin-3-one (CHEBI:170054) is a quinuclidines (CHEBI:26518)

IUPAC Name

(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one