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CHEBI:188633 - 3-Nitrobenzyl 3-oxooctadecanoate

ChEBI IDCHEBI:188633
ChEBI Name3-Nitrobenzyl 3-oxooctadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39NO5
Net Charge0
Average Mass433.589
Monoisotopic Mass433.28282
SMILESCCCCCCCCCCCCCCCC(=O)CC(=O)OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(27)20-25(28)31-21-22-16-15-17-23(19-22)26(29)30/h15-17,19H,2-14,18,20-21H2,1H3
InChIKeyXCQUFWVBZSAEJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
3-Nitrobenzyl 3-oxooctadecanoate (CHEBI:188633) has functional parent benzyl alcohol (CHEBI:17987)
3-Nitrobenzyl 3-oxooctadecanoate (CHEBI:188633) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
(3-nitrophenyl)methyl 3-oxooctadecanoate
Manual XrefsDatabases
24604383ChemSpider