CHEBI:172340 - PV9

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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 PV9
ChEBI ID CHEBI:172340
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H27NO
Net Charge 0
Average Mass 273.420
Monoisotopic Mass 273.20926
InChI InChI=1S/C18H27NO/c1-2-3-4-8-13-17(19-14-9-10-15-19)18(20)16-11-6-5-7-12-16/h5-7,11-12,17H,2-4,8-10,13-15H2,1H3
InChIKey RCGHPLZKUHDGCC-UHFFFAOYSA-N
SMILES O=C(C(N1CCCC1)CCCCCC)C2=CC=CC=C2
ChEBI Ontology
Outgoing PV9 (CHEBI:172340) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-phenyl-2-pyrrolidin-1-yloctan-1-one
Manual Xref Database
59713432 ChemSpider
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