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CHEBI:188620 - 4-Oxo-3-tridecanyl 4-methylbenzenesulfonate

ChEBI IDCHEBI:188620
ChEBI Name4-Oxo-3-tridecanyl 4-methylbenzenesulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4S
Net Charge0
Average Mass368.539
Monoisotopic Mass368.20213
SMILESCCCCCCCCCC(=O)C(CC)OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32O4S/c1-4-6-7-8-9-10-11-12-19(21)20(5-2)24-25(22,23)18-15-13-17(3)14-16-18/h13-16,20H,4-12H2,1-3H3
InChIKeyNCNKWNXXYWDMQX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
4-Oxo-3-tridecanyl 4-methylbenzenesulfonate (CHEBI:188620) is a benzenesulfonate ester (CHEBI:83352)
IUPAC Name 
4-oxotridecan-3-yl 4-methylbenzenesulonate
Manual XrefsDatabases
24604513ChemSpider