CHEBI:188645 - 3-(2,6-Dibutylbenzyl)-1-[(4-methylphenyl)sulfonyl]-1H-indole

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ChEBI Name 3-(2,6-Dibutylbenzyl)-1-[(4-methylphenyl)sulfonyl]-1H-indole
ChEBI ID CHEBI:188645
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H35NO2S
Net Charge 0
Average Mass 473.680
Monoisotopic Mass 473.23885
InChI InChI=1S/C30H35NO2S/c1-4-6-11-24-13-10-14-25(12-7-5-2)29(24)21-26-22-31(30-16-9-8-15-28(26)30)34(32,33)27-19-17-23(3)18-20-27/h8-10,13-20,22H,4-7,11-12,21H2,1-3H3
InChIKey HWOSGDBWXPFWHN-UHFFFAOYSA-N
SMILES S(=O)(=O)(N1C=2C(C(CC3=C(CCCC)C=CC=C3CCCC)=C1)=CC=CC2)C4=CC=C(C=C4)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(2,6-Dibutylbenzyl)-1-[(4-methylphenyl)sulfonyl]-1H-indole (CHEBI:188645) is a sulfonamide (CHEBI:35358)
IUPAC Name
3-[(2,6-dibutylphenyl)methyl]-1-(4-methylphenyl)sulonylindole
Manual Xref Database
65326504 ChemSpider
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