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CHEBI:188617 - 3-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole

ChEBI IDCHEBI:188617
ChEBI Name3-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO2S
Net Charge0
Average Mass487.709
Monoisotopic Mass487.25450
SMILESCCCCc1cccc(CCCC)c1Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc12
InChIInChI=1S/C31H37NO2S/c1-5-7-10-25-12-9-13-26(11-8-6-2)30(25)21-27-22-32(31-20-24(4)16-19-29(27)31)35(33,34)28-17-14-23(3)15-18-28/h9,12-20,22H,5-8,10-11,21H2,1-4H3
InChIKeyZKFNUGVVUOTVDW-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-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole (CHEBI:188617) is a sulfonamide (CHEBI:35358)
IUPAC Name 
3-[(2,6-dibutylphenyl)methyl]-6-methyl-1-(4-methylphenyl)sulonylindole
Manual XrefsDatabases
65326501ChemSpider