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CHEBI:188550 - 2-(7-Oxo-7-phenylheptyl)-1H-isoindole-1,3(2H)-dione

ChEBI IDCHEBI:188550
ChEBI Name2-(7-Oxo-7-phenylheptyl)-1H-isoindole-1,3(2H)-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO3
Net Charge0
Average Mass335.403
Monoisotopic Mass335.15214
SMILESO=C(CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H21NO3/c23-19(16-10-4-3-5-11-16)14-6-1-2-9-15-22-20(24)17-12-7-8-13-18(17)21(22)25/h3-5,7-8,10-13H,1-2,6,9,14-15H2
InChIKeyXKIJIVHFUYINLB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
2-(7-Oxo-7-phenylheptyl)-1H-isoindole-1,3(2H)-dione (CHEBI:188550) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-(7-oxo-7-phenylheptyl)isoindole-1,3-dione
Manual XrefsDatabases
29763550ChemSpider