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CHEBI:188857 - [2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate

ChEBI IDCHEBI:188857
ChEBI Name[2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N2O2
Net Charge0
Average Mass404.554
Monoisotopic Mass404.24638
SMILESCCCCCCCCCC(=O)Oc1cc(-c2ccccc2)nn1-c1cccc(C)c1
InChIInChI=1S/C26H32N2O2/c1-3-4-5-6-7-8-12-18-26(29)30-25-20-24(22-15-10-9-11-16-22)27-28(25)23-17-13-14-21(2)19-23/h9-11,13-17,19-20H,3-8,12,18H2,1-2H3
InChIKeyJGFYPDOORBZMQW-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-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate (CHEBI:188857) is a pyrazoles (CHEBI:26410)
[2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate (CHEBI:188857) is a ring assembly (CHEBI:36820)
IUPAC Name 
[2-(3-methylphenyl)-5-phenylpyrazol-3-yl] decanoate
Manual XrefsDatabases
10140066ChemSpider